#------------------------------------------------------------------------------
#$Date: 2026-10-08 23:08:09 +0200 (Thu, 08 Oct 2026) $
#$Revision: 306952 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/35/2023593.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2023593
loop_
_publ_author_name
'Sugiyama, Haruki'
'Hosoya, Takaaki'
'Sakakura, Terutoshi'
'Kusaka, Katsuhiro'
_publ_section_title
;
Neutron diffraction investigation of the crystal structure of ammonium
molybdate tetrahydrate
;
_journal_coeditor_code VX3024
_journal_issue 11
_journal_name_full
'Acta Crystallographica Section C Structural Chemistry'
_journal_paper_doi 10.1107/S2053229626009976
_journal_volume 82
_journal_year 2026
_chemical_formula_iupac '(N H4)6 Mo7 O24, 4H2 O'
_chemical_formula_moiety '6(H4 N +), Mo7 O24 6-, 4(H2 O)'
_chemical_formula_sum 'Mo7 N6 O28'
_chemical_formula_weight 1203.64
_chemical_name_systematic
;
Ammonium molybdate tetrahydrate
;
_space_group_crystal_system monoclinic
_space_group_IT_number 14
_space_group_name_Hall '-P 2yn'
_space_group_name_H-M_alt 'P 1 21/n 1'
_atom_sites_solution_primary iterative
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_cell_angle_alpha 90
_cell_angle_beta 111.992(5)
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 8.4160(3)
_cell_length_b 36.2688(12)
_cell_length_c 10.1906(4)
_cell_measurement_reflns_used 15895
_cell_measurement_temperature 293.15
_cell_measurement_theta_max 33.0470
_cell_measurement_theta_min 2.2430
_cell_volume 2884.2(2)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2023)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2023)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2023)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_structure_refinement
;
SHELXL2019 (Sheldrick, 2015b)
;
_computing_structure_solution
;
olex2.solve (Bourhis et al., 2015)
;
_diffrn_ambient_temperature 293.15
_diffrn_detector 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device 'four-circle diffractometer'
_diffrn_measurement_device_type
'ROD (Synergy Custom system) with a HyPix detector'
_diffrn_measurement_method '\w scans'
_diffrn_radiation_monochromator mirror
_diffrn_radiation_probe x-ray
_diffrn_radiation_type 'Mo K\a'
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0216
_diffrn_reflns_av_unetI/netI 0.0218
_diffrn_reflns_limit_h_max 12
_diffrn_reflns_limit_h_min -12
_diffrn_reflns_limit_k_max 51
_diffrn_reflns_limit_k_min -51
_diffrn_reflns_limit_l_max 14
_diffrn_reflns_limit_l_min -14
_diffrn_reflns_number 31485
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 30.506
_diffrn_reflns_theta_min 2.227
_diffrn_source 'Rotating-anode X-ray tube'
_exptl_absorpt_coefficient_mu 3.055
_exptl_absorpt_correction_T_max 1.00000
_exptl_absorpt_correction_T_min 0.55833
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2023)
;
_exptl_crystal_colour colourless
_exptl_crystal_density_diffrn 2.772
_exptl_crystal_description prism
_exptl_crystal_F_000 2240
_exptl_crystal_size_max 0.15
_exptl_crystal_size_mid 0.15
_exptl_crystal_size_min 0.05
_refine_diff_density_max 0.748
_refine_diff_density_min -0.586
_refine_ls_extinction_coef 0.00098(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2019 (Sheldrick, 2015b)
;
_refine_ls_goodness_of_fit_ref 1.134
_refine_ls_hydrogen_treatment undef
_refine_ls_matrix_type full
_refine_ls_number_parameters 371
_refine_ls_number_reflns 8766
_refine_ls_number_restraints 0
_refine_ls_restrained_S_all 1.134
_refine_ls_R_factor_all 0.0265
_refine_ls_R_factor_gt 0.0236
_refine_ls_shift/su_max 0.001
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0224P)^2^+5.9374P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0606
_refine_ls_wR_factor_ref 0.0616
_reflns_number_gt 8157
_reflns_number_total 8766
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file vx3024sup1.cif
_cod_data_source_block mo7_xray_rt
_cod_database_code 2023593
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min 0.657
_shelx_estimated_absorpt_t_max 0.862
_shelx_hkl_file
;
0 0 2 287.92 6.05
0 0 3 1.46 0.69
0 0 3 0.87 0.35
0 0 4 378.17 10.08
0 0 4 384.41 8.41
0 0 -4 378.25 10.52
0 0 -5 1.12 0.85
0 0 5 0.15 0.93
0 0 5 0.85 0.77
0 0 5 3.46 0.53
0 0 -6 286.93 9.93
0 0 6 291.08 9.48
0 0 6 297.78 10.17
0 0 7 6.10 1.89
0 0 7 7.04 2.38
0 0 8 758.44 20.18
0 0 8 788.25 21.55
0 0 -9 0.86 0.33
0 0 9 0.26 1.42
0 0 9 0.20 1.19
0 0 10 214.12 10.23
0 0 10 220.69 9.43
0 0 11 5.31 2.53
0 0 11 5.95 2.86
0 0 12 1.01 1.95
0 0 13 -1.07 2.68
0 1 -1 1517.34 22.02
0 -1 1 880.42 21.60
0 -1 2 229.25 4.99
0 -1 2 223.91 5.68
0 1 3 113.03 2.26
0 -1 3 109.40 3.51
0 -1 -3 103.34 3.79
0 -1 3 112.82 2.45
0 -1 4 341.38 7.69
0 -1 4 342.71 9.23
0 1 4 335.06 9.19
0 -1 4 328.05 9.69
0 -1 -4 328.33 9.51
0 -1 5 171.62 6.30
0 -1 5 177.01 4.73
0 1 5 167.94 6.31
0 -1 -5 169.80 6.67
0 1 -5 170.67 6.67
0 -1 5 177.58 6.88
0 -1 6 56.80 3.93
0 -1 6 50.39 3.38
0 1 6 47.60 3.39
0 1 -6 51.33 3.74
0 -1 -6 47.63 3.64
0 1 6 50.00 3.79
0 -1 6 49.00 2.15
0 -1 7 2243.34 48.35
0 1 7 2230.78 48.46
0 1 7 2173.93 47.25
0 -1 7 2208.64 46.95
0 -1 8 1873.55 42.90
0 1 8 1854.07 42.89
0 -1 8 1920.75 41.59
0 1 8 1880.96 41.72
0 1 9 6.94 2.02
0 -1 9 5.62 1.75
0 -1 9 8.44 2.26
0 -1 10 464.61 16.32
0 1 10 485.96 16.57
0 1 10 471.00 15.23
0 -1 10 485.56 15.16
0 -1 11 815.85 24.05
0 1 11 814.47 24.09
0 1 11 768.21 22.18
0 1 12 3.05 2.29
0 -1 12 2.67 1.93
0 1 13 6.48 2.83
0 -1 13 0.35 2.36
0 -2 1 197.42 5.92
0 2 -1 485.08 6.86
0 -2 2 80.66 2.97
0 -2 2 77.71 2.63
0 -2 3 9999.00 190.08
0 -2 4 172.02 4.51
0 -2 4 166.29 5.62
0 -2 -4 167.65 6.02
0 -2 4 175.48 6.25
0 -2 5 125.39 5.49
0 2 5 106.81 4.84
0 -2 5 113.80 4.77
0 -2 5 110.54 3.54
0 -2 -5 110.69 5.20
0 -2 6 119.88 5.90
0 -2 6 123.94 3.92
0 2 -6 117.78 5.82
0 2 6 118.38 5.54
0 -2 6 119.28 5.31
0 -2 7 1272.71 25.93
0 -2 7 1279.41 30.34
0 2 7 1267.22 30.53
0 2 7 1247.49 29.59
0 -2 7 1279.58 29.03
0 -2 8 18.78 2.97
0 2 8 17.93 3.03
0 -2 8 14.48 2.33
0 2 8 14.26 2.56
0 -2 -8 16.98 0.90
0 -2 9 47.63 3.90
0 2 9 51.72 4.23
0 -2 9 49.01 4.50
0 2 9 48.16 4.50
0 -2 10 151.53 7.49
0 2 10 146.58 7.68
0 2 10 150.63 8.49
0 2 11 400.69 14.41
0 -2 11 424.18 15.82
0 -2 12 59.63 5.76
0 2 12 71.06 6.20
0 2 12 68.31 5.50
0 2 13 24.88 4.31
0 -2 13 25.72 4.17
0 2 13 26.13 4.25
0 3 -1 87.82 2.49
0 -3 2 290.84 6.78
0 3 -2 280.47 7.29
0 -3 2 301.10 7.30
0 3 -2 289.90 6.85
0 -3 3 4.92 0.86
0 -3 -3 3.84 0.43
0 -3 -3 4.69 0.42
0 -3 3 3.90 0.98
0 -3 3 3.98 0.56
0 -3 4 411.95 10.53
0 -3 4 435.20 9.37
0 -3 4 420.45 11.30
0 -3 -4 405.86 8.69
0 -3 5 92.63 3.17
0 -3 -5 89.95 4.62
0 -3 5 95.82 4.74
0 -3 5 91.52 4.15
0 3 -6 243.06 8.96
0 -3 6 255.15 9.14
0 3 6 246.52 8.67
0 -3 -6 249.36 5.71
0 -3 6 252.03 6.66
0 -3 6 266.13 8.41
0 3 7 1369.91 32.12
0 -3 7 1379.35 27.57
0 -3 7 1400.50 30.48
0 3 7 1388.65 31.33
0 -3 7 1366.42 31.78
0 -3 -7 1309.88 26.05
0 -3 8 122.90 6.03
0 3 8 124.61 6.56
0 -3 8 123.06 6.86
0 3 8 121.54 6.96
0 3 9 250.58 11.03
0 -3 9 283.78 11.42
0 3 9 283.24 11.55
0 3 9 281.43 10.72
0 -3 9 283.82 10.26
0 3 10 17.10 2.88
0 -3 10 16.58 3.17
0 3 10 19.32 3.29
0 3 10 15.80 3.24
0 3 11 516.24 18.12
0 -3 11 541.89 18.24
0 3 11 538.87 18.49
0 3 11 530.90 17.16
0 3 12 16.46 3.52
0 3 12 12.79 3.28
0 -3 12 11.85 3.15
0 3 12 10.88 2.78
0 3 13 1.10 2.68
0 3 13 -1.10 2.20
0 -3 13 0.70 2.43
0 -4 0 428.23 8.68
0 4 1 957.40 18.26
0 -4 1 873.41 18.35
0 4 -1 894.73 18.39
0 -4 -1 945.66 18.27
0 4 2 256.52 5.29
0 -4 2 253.40 6.45
0 4 -2 246.18 6.48
0 4 2 250.58 6.30
0 4 -2 245.79 5.95
0 -4 3 77.11 3.40
0 -4 -3 79.98 2.10
0 -4 4 29.45 2.37
0 -4 4 29.25 2.05
0 -4 -4 34.78 1.25
0 4 4 30.62 2.48
0 4 -4 28.80 2.44
0 -4 -4 30.30 1.28
0 -4 -5 5.15 0.50
0 -4 5 5.49 1.29
0 -4 -5 3.97 1.20
0 -4 5 5.05 1.05
0 -4 5 4.57 0.68
0 -4 -5 4.51 0.52
0 4 5 3.14 1.23
0 4 -5 5.76 1.41
0 4 6 18.64 2.43
0 -4 6 21.30 2.49
0 -4 -6 17.12 0.90
0 -4 6 19.57 1.45
0 4 6 21.06 2.33
0 -4 6 21.38 2.14
0 -4 7 93.86 3.59
0 4 7 94.16 5.37
0 -4 7 95.21 4.91
0 -4 7 98.96 5.67
0 4 7 89.95 5.63
0 -4 8 365.59 9.09
0 4 8 357.45 12.32
0 -4 8 351.08 11.38
0 -4 8 367.34 12.81
0 4 8 340.40 12.74
0 4 8 363.54 12.86
0 4 9 56.28 4.66
0 4 9 54.19 4.88
0 -4 9 55.44 4.82
0 4 9 56.16 4.94
0 -4 9 53.80 4.19
0 -4 10 31.80 3.92
0 4 10 28.17 3.47
0 4 10 35.32 4.24
0 4 10 25.23 3.64
0 -4 11 26.73 3.83
0 4 11 28.00 3.71
0 4 11 31.98 4.27
0 4 11 37.63 4.59
0 4 12 21.68 3.41
0 4 12 22.98 3.95
0 -4 12 21.58 3.71
0 4 12 18.50 3.61
0 -4 13 112.92 8.04
0 4 13 112.09 8.25
0 4 13 106.64 7.95
0 5 0 2.07 0.32
0 -5 0 2.59 0.30
0 5 -1 8.69 0.73
0 -5 -1 6.56 0.59
0 -5 1 7.78 0.69
0 5 2 623.18 13.28
0 -5 2 584.24 13.56
0 5 -2 598.47 13.59
0 5 -2 610.21 12.73
0 5 -2 603.79 13.35
0 5 2 621.52 12.22
0 -5 2 617.89 13.34
0 -5 3 231.53 6.87
0 5 -3 235.11 7.16
0 -5 3 227.89 7.10
0 5 3 251.19 6.78
0 5 -3 231.80 6.28
0 -5 4 137.21 5.33
0 -5 4 124.65 3.86
0 5 4 127.89 5.19
0 -5 4 125.33 5.30
0 -5 -4 134.39 3.38
0 5 -4 126.62 5.36
0 -5 4 124.76 4.48
0 -5 5 633.51 16.30
0 -5 5 621.84 15.93
0 -5 5 608.85 13.44
0 -5 -5 594.28 12.40
0 5 -5 625.48 16.18
0 5 5 624.73 16.00
0 -5 5 627.60 14.84
0 -5 6 277.64 10.09
0 -5 6 318.06 10.38
0 -5 6 296.85 7.68
0 5 6 288.70 10.08
0 -5 6 303.01 9.13
0 5 7 -0.18 1.40
0 -5 7 1.19 1.36
0 -5 7 0.42 1.42
0 -5 7 0.69 0.61
0 -5 7 1.16 1.11
0 5 7 -0.61 1.71
0 -5 8 92.46 3.71
0 -5 8 97.79 6.01
0 5 8 94.81 6.11
0 5 8 100.59 6.21
0 -5 8 90.49 5.95
0 -5 8 93.46 5.08
0 5 8 88.91 5.60
0 5 9 40.74 4.27
0 5 9 32.58 3.94
0 -5 9 34.93 3.85
0 -5 9 37.24 4.14
0 5 9 43.00 4.03
0 5 10 1.74 1.73
0 5 10 4.40 2.15
0 5 10 2.31 1.98
0 -5 10 1.18 1.90
0 -5 10 5.27 2.27
0 -5 11 2.42 1.92
0 5 11 0.64 2.00
0 5 11 -0.53 1.90
0 -5 11 1.60 2.00
0 5 11 4.42 2.25
0 5 12 127.49 8.53
0 5 12 125.28 7.62
0 -5 12 130.93 8.34
0 -5 12 125.47 8.41
0 5 12 119.79 8.21
0 -5 13 4.76 3.00
0 5 13 2.66 2.57
0 5 13 4.04 3.01
0 5 13 4.47 2.86
0 -6 0 13.46 0.82
0 6 0 14.57 0.83
0 6 0 16.33 0.82
0 -6 -1 1026.12 20.46
0 6 1 1036.27 20.40
0 6 -1 1020.39 20.57
0 -6 1 1012.36 20.52
0 6 -2 537.98 11.96
0 6 -2 513.37 11.65
0 -6 -2 506.47 11.82
0 -6 2 504.30 11.92
0 -6 -2 528.86 11.61
0 6 2 533.18 11.55
0 6 2 510.85 10.60
0 6 -3 630.49 14.88
0 -6 3 636.84 14.93
0 6 -3 609.79 13.82
0 6 -3 598.32 14.60
0 6 3 655.38 14.38
0 -6 3 645.57 14.60
0 -6 4 47.96 3.10
0 -6 4 45.32 2.88
0 6 4 46.41 2.69
0 6 -4 44.89 3.06
0 -6 -4 38.07 1.50
0 -6 4 41.38 1.97
0 6 4 44.94 2.82
0 -6 5 145.91 6.24
0 -6 -5 148.67 3.72
0 -6 5 148.76 6.10
0 6 5 143.70 6.04
0 6 -5 140.34 6.14
0 6 5 141.24 5.70
0 -6 5 138.91 4.42
0 -6 6 0.49 0.51
0 6 6 1.20 1.09
0 -6 6 0.51 1.04
0 -6 6 0.36 0.80
0 -6 6 2.00 1.42
0 -6 7 27.86 3.03
0 -6 7 18.56 1.60
0 6 7 14.49 2.44
0 -6 7 23.81 3.01
0 6 7 21.86 2.68
0 -6 8 45.12 4.12
0 -6 8 51.22 2.68
0 6 8 46.07 4.04
0 -6 8 49.49 4.45
0 6 8 44.58 4.28
0 6 8 46.07 4.26
0 -6 9 151.69 7.97
0 6 9 132.22 7.83
0 -6 9 157.11 8.39
0 6 9 147.87 8.05
0 6 9 149.71 7.76
0 -6 9 145.86 5.02
0 6 10 48.89 4.85
0 -6 10 50.15 4.96
0 6 10 51.44 4.67
0 -6 10 48.50 4.77
0 6 10 53.40 5.15
0 6 11 16.40 3.23
0 -6 11 14.13 3.27
0 -6 11 10.81 2.79
0 6 11 10.63 2.85
0 6 11 13.02 2.73
0 -6 12 235.48 11.58
0 6 12 220.76 11.26
0 6 12 225.71 10.53
0 -6 12 225.04 11.06
0 6 12 206.55 11.13
0 6 13 305.03 13.03
0 -6 13 315.19 14.23
0 6 13 314.95 14.17
0 6 13 327.01 14.54
0 -7 0 1.06 0.31
0 -7 0 1.49 0.32
0 7 0 1.01 0.29
0 -7 -1 92.36 2.88
0 -7 1 92.60 2.96
0 7 -1 96.22 2.97
0 7 1 93.71 2.85
0 -7 -2 1281.53 25.50
0 7 -2 1265.56 25.81
0 7 -2 1252.06 25.40
0 7 2 1230.68 25.32
0 7 2 1245.85 25.79
0 -7 2 1229.53 25.75
0 -7 -3 7.75 1.16
0 7 3 10.77 0.76
0 7 -3 8.13 0.92
0 -7 3 9.42 1.30
0 7 -3 11.87 1.36
0 7 -3 7.50 1.17
0 7 3 8.61 1.06
0 7 4 304.06 8.60
0 7 -4 303.64 9.26
0 -7 4 295.00 9.20
0 -7 4 295.43 8.87
0 -7 -5 39.83 1.63
0 -7 5 39.04 2.09
0 7 -5 39.23 3.17
0 7 5 39.96 3.02
0 7 5 43.99 2.96
0 -7 5 39.16 3.02
0 -7 6 6.36 1.62
0 -7 6 6.60 1.73
0 7 6 8.09 1.70
0 -7 6 7.91 1.03
0 -7 -6 7.55 0.61
0 7 7 520.97 15.39
0 -7 7 547.76 15.85
0 7 7 543.31 16.04
0 -7 7 533.22 16.16
0 -7 7 530.96 12.67
0 -7 8 502.87 15.60
0 7 8 474.28 15.18
0 -7 8 522.19 16.19
0 7 8 488.77 15.73
0 -7 8 485.09 12.07
0 -7 9 431.61 11.00
0 -7 9 450.90 15.44
0 -7 9 461.81 15.13
0 7 9 437.07 15.39
0 7 9 425.54 15.08
0 7 9 433.27 14.73
0 7 10 4.70 2.18
0 7 10 -0.30 1.87
0 7 10 6.40 2.50
0 -7 10 1.10 2.03
0 -7 10 2.37 2.54
0 -7 11 -0.60 1.92
0 -7 11 -1.29 2.41
0 7 11 0.32 2.09
0 7 11 0.55 1.66
0 7 11 0.63 2.16
0 -7 12 33.14 4.65
0 7 12 47.24 5.45
0 7 12 52.12 5.00
0 7 12 45.05 5.23
0 -7 13 23.23 4.40
0 7 13 30.90 4.73
0 7 13 31.49 4.80
0 7 13 22.75 3.90
0 -8 0 1346.33 27.07
0 8 0 1364.82 27.03
0 8 0 1404.29 26.87
0 -8 0 1385.83 26.92
0 -8 -1 358.58 8.10
0 8 -1 360.90 8.20
0 8 1 344.61 8.00
0 -8 1 351.92 8.16
0 8 2 45.76 2.43
0 -8 -2 50.07 2.30
0 8 -2 45.80 2.18
0 8 -2 52.11 2.47
0 8 2 50.89 2.25
0 8 -3 50.25 2.83
0 -8 -3 55.49 2.91
0 8 3 50.60 1.85
0 8 3 50.06 2.56
0 8 -3 52.58 2.26
0 -8 3 51.36 2.89
0 8 3 51.67 2.87
0 8 -3 52.69 2.79
0 8 4 50.34 2.87
0 -8 4 52.34 3.30
0 8 -4 49.06 3.21
0 8 -4 49.91 2.60
0 -8 4 50.52 3.04
0 -8 5 814.93 19.81
0 8 5 836.03 19.45
0 -8 5 804.03 17.65
0 8 5 817.98 19.89
0 -8 -5 829.33 16.59
0 8 -5 779.75 20.32
0 -8 5 810.39 20.24
0 -8 6 84.62 5.16
0 -8 6 97.23 5.20
0 8 6 93.32 5.20
0 -8 -6 101.46 2.75
0 -8 6 90.53 3.63
0 8 7 159.69 7.50
0 -8 7 154.41 5.26
0 -8 7 169.32 7.82
0 -8 7 155.57 7.23
0 -8 8 110.22 4.37
0 8 8 115.51 6.75
0 8 8 108.25 6.30
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-9 -19 -2 91.82 7.19
9 19 3 222.76 11.60
9 19 4 37.23 4.98
9 -20 -12 23.22 4.06
-9 -20 12 24.21 4.23
-9 -20 11 125.09 9.05
-9 -20 11 120.81 8.41
-9 -20 10 3.19 2.57
9 -20 -10 0.35 2.18
-9 -20 10 4.27 2.64
-9 -20 9 38.68 5.28
9 -20 -9 40.34 4.88
-9 -20 9 35.77 4.72
-9 -20 8 1.47 2.29
9 -20 -8 1.40 2.11
-9 -20 8 1.33 2.00
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-9 -20 7 120.34 8.23
-9 -20 6 350.94 14.77
9 20 -6 356.72 14.92
-9 -20 6 374.01 14.63
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9 20 -5 350.09 14.52
-9 -20 5 349.92 14.13
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-9 -20 3 35.33 4.44
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-9 -20 2 339.30 14.06
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9 20 3 10.54 3.50
9 -21 -12 44.82 5.21
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-9 -21 11 81.98 7.16
9 -21 -11 80.02 6.83
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9 -21 -10 12.66 3.22
-9 -21 9 2.80 2.22
-9 -21 9 3.87 2.87
9 -21 -9 6.72 2.78
-9 -21 8 170.96 10.17
9 -21 -8 157.14 9.56
-9 -21 8 172.91 9.82
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-9 -21 6 95.93 7.16
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9 21 3 113.88 8.31
9 -22 -12 22.65 4.25
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9 -22 -11 1.75 2.30
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9 -22 -10 31.74 4.56
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9 -22 -9 95.39 7.45
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9 -23 -12 174.87 9.99
9 -23 -11 3.54 2.49
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9 -23 -10 68.94 6.37
9 -23 -9 3.58 2.23
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9 -24 -11 1.07 1.97
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9 -24 -10 65.32 6.27
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9 -25 -11 147.03 9.32
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9 -25 -9 -1.09 2.35
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9 -26 -11 6.46 2.88
9 -26 -10 59.37 6.22
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9 -28 -10 16.24 4.02
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10 0 -11 -1.06 2.41
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10 0 -9 1.80 2.28
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10 1 -1 5.15 2.43
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10 -2 -12 34.33 4.75
10 -2 -11 124.39 8.49
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10 -2 -10 1.44 2.31
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10 -2 -9 5.41 2.51
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10 -2 -4 12.99 3.26
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10 -2 -3 32.84 4.53
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10 -2 -1 589.53 19.97
10 2 -1 624.80 19.81
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10 -2 0 30.63 4.06
10 2 0 37.75 4.24
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10 -2 1 12.28 2.78
10 2 1 12.67 2.61
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10 -3 -12 18.74 3.83
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10 -3 -11 123.56 8.50
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-10 -3 8 7.69 2.65
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10 -3 -1 4.76 2.55
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10 -4 -6 27.95 4.49
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10 -5 -11 33.92 4.81
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10 -5 -5 35.99 4.71
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10 -5 -3 5.82 2.78
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10 -5 -1 42.86 4.86
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10 -5 1 36.45 4.35
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10 -6 -6 301.52 13.85
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10 -6 -1 76.55 6.38
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10 6 0 8.16 2.44
10 -6 0 6.72 2.65
10 6 1 9.87 2.43
10 -6 1 11.41 2.92
10 6 1 5.06 2.17
10 6 2 -1.09 1.89
10 6 3 0.83 1.84
10 6 3 -0.56 1.96
10 -7 -12 0.70 2.30
10 7 -12 4.62 2.47
-10 -7 12 1.51 1.82
10 -7 -11 56.04 5.95
-10 -7 11 73.66 6.01
10 7 -11 63.56 6.17
-10 -7 11 70.07 6.68
10 7 -10 9.68 2.85
-10 -7 10 2.98 2.37
-10 -7 10 8.28 2.48
10 -7 -10 8.04 2.71
10 -7 -9 49.59 5.68
-10 7 9 46.53 4.92
-10 -7 9 41.30 5.16
-10 -7 9 36.66 4.27
10 7 -9 42.72 5.13
10 -7 -8 81.20 7.03
-10 -7 8 90.60 7.09
-10 -7 8 91.03 6.16
-10 7 8 98.41 6.62
-10 -7 7 50.49 4.46
-10 -7 7 52.09 5.25
-10 7 7 50.49 4.58
10 7 -7 48.98 5.36
10 7 -6 30.64 4.64
-10 -7 6 29.26 4.03
10 -7 -6 36.80 5.02
-10 7 6 43.75 4.14
-10 -7 6 31.20 3.68
10 -7 -5 385.44 15.54
-10 -7 5 359.32 14.11
-10 7 5 359.20 12.29
10 7 -5 354.69 14.89
-10 -7 5 374.89 12.84
-10 -7 4 18.06 3.18
-10 7 4 23.67 2.84
10 7 -4 21.49 3.77
10 -7 -4 20.42 3.71
-10 -7 4 22.83 3.06
-10 -7 3 119.30 7.37
10 -7 -3 128.01 8.48
-10 7 3 124.57 6.04
10 7 -3 128.24 8.23
-10 -7 3 127.32 6.85
10 -7 -2 0.34 2.21
-10 -7 2 1.58 1.88
-10 -7 2 1.14 1.65
10 7 -2 -0.90 2.16
10 -7 -1 44.79 5.02
-10 -7 1 48.68 4.48
10 7 -1 42.82 4.52
10 7 0 97.15 6.44
10 -7 0 95.27 6.99
10 7 1 12.83 2.82
10 7 1 12.41 2.47
10 -7 1 11.53 2.66
10 7 2 -1.11 1.71
10 7 3 15.68 2.98
10 7 3 12.00 2.91
-10 -8 12 49.65 5.13
10 -8 -12 44.38 5.25
10 8 -12 50.33 5.45
10 -8 -11 86.05 7.20
10 8 -11 89.99 7.28
-10 -8 11 95.34 6.89
-10 -8 11 96.87 7.82
10 -8 -10 15.12 3.40
-10 -8 10 19.20 3.79
-10 -8 10 15.31 2.95
10 8 -10 19.05 3.74
10 -8 -9 97.17 7.62
10 8 -9 92.45 7.29
-10 -8 9 83.96 7.07
-10 8 9 85.25 6.40
-10 -8 9 86.63 6.25
-10 -8 8 -0.34 1.98
-10 8 8 0.53 1.83
10 -8 -8 0.37 2.45
-10 -8 8 -0.26 1.90
-10 -8 7 21.41 3.74
-10 8 7 21.02 3.25
10 8 -7 26.44 4.22
-10 -8 7 21.04 3.13
-10 -8 6 137.70 8.38
-10 8 6 135.74 7.14
10 8 -6 120.28 8.43
-10 -8 6 136.93 7.41
10 -8 -6 146.55 9.24
10 8 -5 19.02 3.63
10 -8 -5 15.77 3.59
-10 -8 5 24.03 3.74
-10 8 5 23.62 3.04
-10 -8 5 20.28 3.08
10 -8 -4 59.29 5.99
10 8 -4 56.88 5.76
-10 -8 4 59.37 5.31
-10 8 4 58.07 4.18
-10 -8 4 64.41 4.90
-10 8 3 41.77 3.41
-10 -8 3 39.05 4.38
10 8 -3 40.34 4.72
-10 -8 3 42.67 4.11
10 -8 -3 41.94 5.07
-10 -8 2 3.23 2.00
10 -8 -2 4.09 2.43
-10 -8 2 0.71 1.77
10 8 -2 3.56 2.53
10 -8 -1 26.29 3.92
10 8 -1 18.07 3.15
-10 -8 1 27.44 3.51
10 -8 0 113.45 7.53
10 8 0 102.58 6.63
10 -8 1 1.46 1.85
10 8 1 1.74 1.51
10 8 2 219.98 10.52
10 8 3 58.45 5.43
10 8 3 61.82 5.39
10 8 4 2.70 2.14
10 8 4 2.74 2.17
-10 -9 13 5.51 2.38
10 9 -12 89.39 7.30
10 -9 -12 84.55 7.04
-10 -9 12 106.76 7.30
-10 -9 12 86.22 7.77
10 -9 -11 3.27 2.53
-10 -9 11 2.12 1.92
-10 -9 11 5.89 2.95
10 9 -11 3.61 2.61
10 -9 -10 2.59 2.57
10 9 -10 -0.36 2.29
-10 -9 10 1.46 1.97
-10 -9 10 4.18 2.95
-10 9 9 18.27 3.35
10 9 -9 16.22 3.72
-10 -9 9 15.83 3.08
10 -9 -9 11.13 3.42
-10 -9 9 20.07 3.89
-10 -9 8 36.54 4.16
10 -9 -8 40.09 5.14
-10 -9 8 32.98 4.60
-10 9 8 37.48 4.15
-10 -9 7 114.82 6.99
-10 -9 7 107.34 7.66
-10 9 7 116.13 6.74
10 9 -7 106.23 7.89
10 -9 -6 23.97 4.10
10 9 -6 32.90 4.66
-10 -9 6 31.09 3.81
-10 -9 6 29.68 4.30
-10 9 6 33.94 3.48
-10 -9 5 94.30 6.18
10 9 -5 91.29 7.12
10 -9 -5 88.39 7.20
-10 -9 5 93.75 6.80
-10 9 5 92.17 5.49
10 9 -4 429.94 16.36
10 -9 -4 440.76 17.06
-10 -9 4 454.37 14.88
-10 -9 4 443.80 15.90
-10 9 4 424.11 12.92
10 9 -3 324.03 13.46
10 -9 -3 343.42 14.37
-10 -9 3 315.45 11.96
-10 -9 3 307.09 12.82
10 9 -2 503.47 17.53
-10 -9 2 524.46 16.66
-10 -9 2 519.68 17.37
10 -9 -2 542.08 18.94
-10 -9 1 89.79 6.15
10 9 -1 82.29 6.09
10 -9 -1 75.58 6.47
-10 -9 0 14.92 2.96
10 9 0 11.06 2.75
10 -9 0 10.16 3.06
10 9 1 4.30 1.75
10 -9 1 12.16 2.81
10 9 2 2.05 2.17
10 9 3 30.51 4.23
10 9 4 11.98 2.96
10 9 4 8.90 2.85
-10 -10 13 34.35 4.56
10 -10 -12 16.66 3.71
-10 -10 12 20.54 3.81
10 10 -11 2.54 2.34
-10 -10 11 2.38 2.72
-10 -10 11 3.41 2.15
10 -10 -11 1.10 2.24
10 -10 -10 112.12 8.28
-10 -10 10 116.39 7.48
10 10 -10 101.08 7.76
-10 -10 10 102.18 8.04
10 -10 -9 274.69 13.17
-10 -10 9 273.28 11.88
10 10 -9 261.42 12.82
-10 -10 9 298.90 13.69
-10 10 9 284.11 11.99
10 -10 -8 135.65 8.97
-10 -10 8 139.59 8.94
-10 -10 8 142.50 8.08
-10 10 8 133.99 7.67
10 10 -7 60.08 6.07
-10 -10 7 72.03 5.64
-10 -10 7 59.83 5.90
-10 10 7 60.32 4.90
10 -10 -6 98.97 7.64
10 10 -6 96.86 7.31
-10 -10 6 105.08 7.43
-10 10 6 90.45 5.59
-10 -10 6 97.22 6.46
-10 -10 5 48.35 5.03
-10 10 5 50.73 3.92
-10 -10 5 58.76 4.99
10 10 -5 46.86 5.35
10 -10 -5 50.03 5.53
10 10 -4 5.86 2.58
-10 -10 4 0.49 1.90
-10 10 4 2.01 1.56
-10 -10 4 2.07 2.09
10 -10 -4 3.22 2.41
-10 -10 3 3.16 2.16
-10 -10 3 5.61 2.12
10 10 -3 5.27 2.85
10 -10 -3 6.66 2.82
-10 -10 2 27.98 3.88
-10 -10 2 29.73 3.75
10 10 -2 27.77 3.98
10 -10 -2 28.12 4.40
10 -10 -1 246.69 11.84
10 10 -1 227.37 10.48
-10 -10 1 249.04 10.79
10 -10 0 289.52 12.78
-10 -10 0 304.37 12.32
10 10 0 270.52 11.15
10 -10 1 4.23 2.10
10 10 2 37.22 4.55
10 10 3 14.69 3.18
10 10 4 171.21 9.46
10 10 4 172.79 9.53
-10 -11 13 34.63 4.67
10 -11 -12 75.75 6.76
-10 -11 12 91.28 7.00
-10 -11 11 83.47 7.45
10 11 -11 77.34 6.77
-10 -11 11 76.34 6.34
10 -11 -11 81.71 7.07
10 11 -10 53.30 5.81
-10 -11 10 63.88 5.71
10 -11 -10 57.64 6.10
-10 -11 10 56.66 6.08
10 11 -9 151.58 9.57
-10 -11 9 163.60 9.00
-10 -11 9 169.93 10.20
-10 11 9 175.98 9.13
10 -11 -9 159.81 9.87
-10 11 8 306.80 11.95
-10 -11 8 305.93 13.70
10 -11 -8 272.43 13.23
-10 -11 8 296.23 12.29
-10 -11 7 206.95 10.80
-10 11 7 203.45 9.03
10 11 -7 198.31 10.85
-10 -11 7 207.74 9.85
-10 11 6 67.24 4.70
-10 -11 6 75.87 6.46
-10 -11 6 75.59 5.78
10 11 -6 75.88 6.65
10 -11 -6 71.56 6.48
-10 -11 5 198.73 9.41
10 -11 -5 197.21 10.83
-10 -11 5 199.79 10.28
-10 11 5 191.65 7.81
10 11 -5 187.62 10.28
10 -11 -4 89.34 7.19
-10 -11 4 90.77 6.25
-10 -11 4 87.24 6.61
10 11 -4 87.28 6.84
10 -11 -3 184.24 10.27
10 11 -3 162.53 9.26
-10 -11 3 189.73 9.04
-10 -11 3 183.98 9.58
-10 -11 2 15.33 3.06
10 -11 -2 16.22 3.40
-10 -11 2 15.61 3.09
10 11 -2 11.08 2.94
10 -11 -1 71.78 6.24
-10 -11 1 68.14 5.61
10 11 -1 62.70 5.35
10 -11 0 157.91 9.24
10 11 0 147.77 7.87
-10 -11 0 170.72 9.05
10 -11 1 112.07 7.48
10 -11 2 11.80 2.93
10 11 2 5.85 2.67
10 11 3 116.46 7.86
10 11 4 18.86 3.57
10 11 4 24.75 3.93
-10 -12 13 114.89 8.11
10 -12 -12 2.52 2.36
-10 -12 12 5.33 2.59
10 12 -11 104.05 7.98
10 -12 -11 111.08 8.23
-10 -12 11 113.05 7.90
-10 -12 11 116.47 8.75
10 12 -10 1.84 2.44
-10 -12 10 1.57 2.40
-10 -12 10 2.50 2.29
10 -12 -10 0.37 2.55
-10 -12 9 89.32 7.34
10 -12 -9 70.31 6.63
-10 12 9 77.52 5.93
-10 -12 9 74.02 6.07
-10 12 8 96.66 6.32
10 12 -8 89.59 7.37
-10 -12 8 95.11 6.78
-10 -12 8 86.95 7.23
10 -12 -8 93.34 7.44
-10 -12 7 8.36 2.59
-10 -12 7 8.61 3.07
-10 12 7 7.78 2.10
10 12 -7 5.70 2.86
-10 -12 6 82.37 6.11
-10 12 6 78.24 4.99
-10 -12 6 67.76 6.21
10 12 -6 76.32 6.56
10 -12 -6 73.11 6.51
10 -12 -5 2.54 2.22
10 12 -5 2.37 2.39
-10 -12 5 1.05 1.93
-10 -12 5 0.64 1.99
-10 -12 4 96.65 7.06
10 -12 -4 85.33 7.13
10 12 -4 91.36 7.02
-10 -12 4 89.04 6.20
10 -12 -3 8.88 3.06
-10 -12 3 12.61 2.78
-10 -12 3 4.50 2.31
10 12 -3 9.61 2.81
10 -12 -2 15.34 3.34
-10 -12 2 16.66 3.00
10 12 -2 15.08 3.09
-10 -12 2 17.73 3.31
10 -12 -1 2.71 2.15
10 12 -1 2.13 2.02
-10 -12 1 3.63 2.24
10 -12 0 21.19 3.76
-10 -12 0 23.92 3.77
10 12 0 20.81 3.32
10 -12 1 105.45 7.32
10 -12 2 265.19 11.47
10 12 2 236.66 11.54
10 12 3 14.72 3.33
-10 -13 13 13.91 3.23
10 -13 -12 32.56 4.66
-10 -13 12 26.84 4.05
10 13 -11 33.27 4.78
10 -13 -11 31.88 4.72
-10 -13 11 43.42 5.66
-10 -13 11 45.62 5.09
10 13 -10 47.86 5.56
-10 -13 10 55.02 5.52
-10 -13 10 41.64 5.41
10 -13 -10 47.29 5.60
-10 -13 9 28.94 4.56
-10 -13 9 22.80 3.74
-10 13 9 24.47 3.54
10 -13 -9 24.82 4.25
-10 -13 8 35.04 4.41
-10 -13 8 27.34 4.41
-10 13 8 34.24 3.90
10 -13 -8 32.29 4.67
10 13 -8 41.05 5.09
-10 -13 7 94.68 6.79
-10 13 7 106.93 6.10
-10 -13 7 106.66 7.85
10 13 -7 115.64 8.05
-10 -13 6 62.90 5.47
-10 -13 6 65.09 6.02
10 13 -6 70.23 6.23
10 -13 -6 65.43 6.38
10 -13 -5 24.84 4.18
10 13 -5 33.87 4.57
-10 -13 5 27.88 4.13
-10 -13 5 30.21 3.96
-10 -13 4 146.15 8.74
10 13 -4 154.63 9.16
10 -13 -4 133.97 8.99
-10 -13 4 151.77 8.35
-10 -13 3 145.12 8.67
10 13 -3 155.43 8.94
-10 -13 3 163.24 8.60
10 -13 -3 165.54 9.72
10 13 -2 251.50 11.36
-10 -13 2 255.36 11.71
10 -13 -2 265.13 12.55
-10 -13 2 261.74 11.40
10 13 -1 1.59 2.06
-10 -13 1 2.01 1.94
10 -13 -1 5.13 2.60
10 13 0 272.52 11.10
10 -13 0 270.43 12.60
-10 -13 0 304.90 12.68
10 -13 1 1.88 2.05
10 13 2 13.55 3.40
10 -13 2 18.32 3.30
10 13 3 14.70 3.42
-10 -14 12 5.53 2.44
10 14 -11 3.02 2.51
-10 -14 11 0.83 2.58
10 -14 -11 2.60 2.40
-10 -14 11 1.69 2.28
-10 -14 10 178.00 10.85
10 -14 -10 166.73 10.13
10 14 -10 184.61 10.60
-10 -14 10 162.13 9.46
-10 -14 9 24.30 3.88
10 -14 -9 21.93 4.11
-10 -14 9 27.32 4.57
-10 14 9 26.59 3.57
10 -14 -8 0.75 2.37
-10 -14 8 2.21 2.83
-10 14 8 2.80 1.75
10 14 -8 1.83 2.20
-10 -14 8 0.91 1.87
-10 -14 7 53.95 5.77
10 14 -7 58.87 5.85
-10 -14 7 52.82 5.21
10 -14 -6 183.00 10.51
-10 -14 6 178.63 10.14
10 14 -6 201.37 10.72
-10 -14 6 195.27 9.75
-10 -14 5 218.17 11.05
10 -14 -5 227.51 11.73
10 14 -5 209.68 11.03
-10 -14 5 208.94 10.09
-10 -14 4 0.84 1.88
10 -14 -4 5.10 2.57
10 14 -4 3.91 2.41
-10 -14 4 3.19 2.28
-10 -14 3 84.59 6.65
10 -14 -3 90.95 7.25
-10 -14 3 93.54 6.51
10 14 -3 86.83 6.67
-10 -14 2 63.75 5.62
10 -14 -2 72.77 6.57
10 14 -2 69.78 5.79
-10 -14 2 67.28 5.63
10 -14 -1 323.38 13.85
10 14 -1 277.07 11.71
-10 -14 1 311.21 12.80
10 -14 0 4.00 2.53
10 14 0 5.02 2.23
-10 -14 0 7.03 2.72
10 -14 1 13.96 3.21
10 14 2 -0.33 2.05
10 -14 2 0.29 1.67
10 14 3 11.32 3.14
-10 -15 12 50.29 5.56
10 15 -11 114.84 8.45
-10 -15 11 120.50 9.08
10 -15 -11 108.86 8.15
-10 -15 11 127.32 8.44
10 -15 -10 33.16 4.82
-10 -15 10 39.04 4.85
10 15 -10 41.31 5.25
-10 -15 10 46.07 5.76
10 -15 -9 2.61 2.56
-10 -15 9 1.29 2.21
-10 15 9 3.32 2.11
-10 -15 9 1.17 2.43
-10 -15 8 43.24 5.23
-10 -15 8 38.45 4.62
10 -15 -8 32.69 4.62
10 15 -8 46.41 5.33
-10 -15 7 98.57 7.62
10 15 -7 100.33 7.67
-10 -15 7 101.53 7.15
-10 -15 6 4.51 2.45
10 -15 -6 4.46 2.36
-10 -15 6 1.18 1.85
10 15 -5 40.87 4.84
10 -15 -5 32.90 4.66
-10 -15 5 31.78 4.47
-10 -15 5 36.13 4.26
10 -15 -4 6.95 2.75
-10 -15 4 3.44 2.20
-10 -15 4 0.98 2.16
10 15 -4 1.63 1.93
-10 -15 3 51.32 4.99
10 -15 -3 58.59 5.89
-10 -15 3 57.25 5.60
10 15 -3 46.35 5.07
-10 -15 2 3.20 2.19
10 15 -2 4.62 2.17
-10 -15 2 6.91 2.52
10 -15 -2 6.05 2.58
-10 -15 1 5.41 2.36
10 15 -1 2.39 1.85
10 -15 -1 2.09 2.24
-10 -15 0 22.21 3.86
10 15 0 22.34 3.20
10 -15 0 21.21 3.78
10 -15 1 95.12 7.12
-10 -15 -1 93.59 7.14
10 -15 2 78.08 6.14
10 15 2 71.56 6.32
10 15 3 137.82 8.79
-10 -16 12 1.43 1.99
10 -16 -11 20.16 3.87
-10 -16 11 24.53 4.20
-10 -16 10 11.93 3.24
-10 -16 10 16.32 4.24
10 -16 -10 15.67 3.85
10 16 -10 16.81 3.89
10 -16 -9 281.74 13.37
-10 -16 9 273.23 13.44
-10 -16 9 271.62 12.51
-10 -16 8 5.44 2.41
-10 -16 8 5.66 2.73
10 -16 -8 8.28 2.96
10 16 -8 3.72 2.59
-10 -16 7 102.00 7.27
-10 -16 7 98.38 7.65
10 16 -7 99.09 7.62
10 -16 -6 5.23 2.67
-10 -16 6 10.20 3.08
-10 -16 6 4.56 2.37
10 16 -6 5.31 2.69
-10 -16 5 144.01 8.47
10 16 -5 134.91 8.68
-10 -16 5 136.93 8.71
10 -16 -5 152.54 9.50
10 -16 -4 151.02 9.51
10 16 -4 151.09 9.11
-10 -16 4 158.37 9.24
-10 -16 4 156.49 8.79
-10 -16 3 246.37 11.83
-10 -16 3 252.39 11.37
10 16 -3 251.69 11.68
-10 -16 2 0.30 1.73
-10 -16 2 -0.32 1.82
10 16 -2 1.45 1.75
10 16 -1 9.30 2.41
-10 -16 1 5.24 2.26
-10 -16 0 202.82 10.51
10 -16 1 73.16 6.28
-10 -16 -1 71.25 6.31
10 -16 2 1.83 1.73
10 16 2 -0.34 2.38
10 16 3 20.38 3.84
-10 -17 12 5.45 2.76
-10 -17 11 1.43 1.94
10 -17 -11 3.73 2.48
10 17 -10 397.66 16.63
-10 -17 10 419.74 16.45
-10 -17 10 417.01 17.53
10 -17 -10 388.41 16.32
-10 -17 9 1.35 2.31
10 -17 -9 1.90 2.48
-10 -17 9 2.78 2.69
-10 -17 8 88.13 6.91
-10 -17 8 90.47 7.53
10 17 -8 79.82 6.93
10 -17 -8 86.70 7.30
-10 -17 7 39.13 5.09
-10 -17 7 46.85 5.10
10 17 -7 41.95 5.38
-10 -17 6 39.63 5.13
-10 -17 6 47.14 5.07
10 -17 -6 45.05 5.42
10 17 -6 39.01 5.17
-10 -17 5 84.84 6.95
10 -17 -5 74.69 6.77
-10 -17 5 87.44 6.67
10 17 -5 91.20 7.15
10 17 -4 51.86 5.48
-10 -17 4 49.73 5.34
-10 -17 4 55.43 5.34
10 17 -3 13.74 3.31
-10 -17 3 13.41 3.03
-10 -17 3 17.16 3.45
10 17 -2 1.45 1.99
-10 -17 2 3.26 2.17
-10 -17 2 1.53 2.01
-10 -17 1 0.32 2.20
-10 -17 0 159.23 9.33
-10 -17 -1 12.65 3.03
10 -17 2 33.72 4.31
10 17 2 28.92 4.46
-10 -18 11 28.31 4.40
10 -18 -11 24.29 4.25
-10 -18 10 40.36 5.23
-10 -18 10 51.50 6.16
10 -18 -10 39.54 5.51
-10 -18 9 0.80 2.46
-10 -18 9 0.69 2.26
10 -18 -9 5.33 2.53
10 -18 -8 -0.76 2.15
-10 -18 8 -0.39 2.41
-10 -18 8 -0.34 2.26
10 18 -8 -1.14 2.52
-10 -18 7 92.71 7.13
10 18 -7 90.99 7.44
-10 -18 6 586.69 20.43
-10 -18 6 576.17 19.55
10 18 -6 551.44 19.96
10 -18 -6 575.43 20.42
-10 -18 5 41.73 4.98
10 18 -5 60.16 5.82
-10 -18 5 53.90 5.70
-10 -18 4 107.31 7.51
10 18 -4 108.41 7.77
-10 -18 4 109.97 7.81
10 18 -3 40.44 4.80
-10 -18 3 51.34 5.19
-10 -18 3 45.38 5.13
10 18 -2 343.35 13.62
-10 -18 2 363.58 14.48
-10 -18 2 348.28 14.49
-10 -18 1 20.37 3.71
-10 -18 0 83.86 6.81
-10 -18 -1 12.54 3.13
10 -18 2 4.40 2.15
10 18 2 1.06 2.29
-10 -19 11 87.87 7.35
-10 -19 10 178.57 10.35
-10 -19 10 199.93 11.68
10 -19 -10 170.75 10.44
-10 -19 9 27.04 4.41
10 -19 -9 30.89 4.79
-10 -19 9 30.79 4.93
-10 -19 8 63.04 6.10
10 19 -8 57.34 6.18
10 -19 -8 58.68 6.05
-10 -19 8 55.57 6.13
-10 -19 7 80.56 7.12
10 19 -7 71.43 6.67
-10 -19 7 77.82 6.55
10 -19 -6 51.29 5.85
-10 -19 6 58.04 5.76
10 19 -6 58.87 6.16
-10 -19 6 57.69 6.02
-10 -19 5 4.51 2.21
-10 -19 5 5.33 2.76
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11 -12 -4 193.55 11.16
-11 -12 4 181.91 9.37
-11 -12 3 2.28 2.16
11 12 -3 1.96 2.28
-11 -12 3 1.69 1.76
11 -12 -3 4.25 2.53
-11 -12 2 3.49 2.21
11 -12 -2 3.01 2.27
11 12 -2 3.36 2.18
-11 -12 1 11.43 2.98
11 -12 -1 9.41 3.11
11 12 -1 10.00 2.83
11 -12 0 92.81 7.33
11 12 1 39.20 4.70
-11 -13 10 5.88 3.33
-11 -13 10 6.17 2.38
-11 -13 9 98.34 8.08
11 -13 -9 77.61 7.16
-11 -13 9 78.62 6.48
11 13 -8 3.10 2.91
-11 -13 8 3.70 2.43
-11 -13 8 8.62 3.46
-11 -13 7 68.43 5.87
-11 -13 7 62.39 6.40
11 13 -7 57.25 6.16
11 -13 -7 66.77 6.68
-11 -13 6 17.80 3.81
-11 -13 6 25.39 3.89
11 -13 -6 25.73 4.51
11 13 -6 18.65 3.64
11 13 -5 32.15 4.67
11 -13 -5 25.17 4.45
-11 -13 5 24.91 3.80
-11 -13 5 31.88 4.62
-11 -13 4 168.18 9.06
11 -13 -4 154.18 10.03
-11 -13 4 158.85 9.61
11 13 -4 154.14 9.53
11 -13 -3 53.42 5.83
11 13 -3 45.44 5.11
-11 -13 3 46.31 4.89
-11 -13 3 45.11 5.23
11 13 -2 2.73 2.11
-11 -13 2 6.89 2.38
11 -13 -2 7.18 2.84
11 13 -1 133.48 7.90
11 -13 -1 139.50 9.09
-11 -13 1 121.82 8.07
11 -13 0 57.41 5.77
11 13 1 -0.65 2.20
-11 -14 10 1.33 2.07
-11 -14 9 53.57 6.16
11 -14 -9 49.67 5.87
-11 -14 9 52.45 5.33
-11 -14 8 75.71 7.09
-11 -14 8 70.10 6.13
11 14 -8 60.76 6.38
11 -14 -7 60.65 6.38
-11 -14 7 60.09 6.22
11 14 -7 54.80 6.17
-11 -14 7 57.20 5.47
-11 -14 6 12.64 3.03
11 -14 -6 12.53 3.42
11 14 -6 10.10 3.19
-11 -14 6 14.73 3.58
-11 -14 5 2.39 2.13
11 -14 -5 1.20 2.41
11 14 -5 -0.36 2.30
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-11 -14 4 63.67 5.64
11 14 -4 46.01 5.52
11 -14 -4 57.34 6.27
11 -14 -3 1.55 2.20
11 14 -3 1.63 2.10
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-11 -14 3 1.02 2.07
11 14 -2 47.95 5.00
11 -14 -2 39.43 5.20
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11 14 -1 168.65 9.06
-11 -14 1 198.84 10.30
11 -14 -1 180.39 10.46
11 -14 0 17.20 3.51
11 14 1 32.52 4.49
-11 -15 11 1.04 2.13
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-11 -15 9 12.40 3.43
-11 -15 8 117.66 8.81
11 15 -8 105.25 8.24
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-11 -15 7 28.62 4.20
11 15 -7 16.95 3.75
11 -15 -7 23.58 4.23
-11 -15 7 19.00 4.09
11 -15 -6 94.38 7.88
-11 -15 6 102.02 7.99
-11 -15 6 100.20 7.24
11 15 -6 95.25 7.66
-11 -15 5 15.08 3.26
11 -15 -5 12.85 3.30
11 15 -5 14.49 3.44
-11 -15 5 9.40 3.03
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-11 -15 4 104.59 7.29
11 15 -4 97.70 7.59
11 -15 -4 103.76 8.09
11 -15 -3 37.08 5.01
11 15 -3 27.79 4.03
-11 -15 3 35.44 4.40
-11 -15 3 27.90 4.28
11 15 -2 11.85 2.95
11 -15 -2 10.68 3.13
-11 -15 2 9.78 2.84
11 -15 -1 6.64 2.90
11 15 -1 3.86 2.28
-11 -15 1 3.25 2.32
11 -15 0 60.48 5.97
-11 -15 0 50.12 5.47
11 15 1 3.05 2.32
-11 -16 11 2.48 2.21
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-11 -16 9 21.41 3.71
-11 -16 9 20.90 4.15
-11 -16 8 107.22 7.64
-11 -16 8 108.58 8.53
11 -16 -8 94.16 7.97
11 16 -8 105.38 8.28
11 16 -7 10.09 3.28
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11 16 -6 106.86 8.08
-11 -16 6 91.31 7.61
11 -16 -6 99.02 7.99
-11 -16 6 108.14 7.55
-11 -16 5 22.16 3.71
11 -16 -5 23.31 4.26
11 16 -5 19.33 3.87
-11 -16 5 25.34 4.34
-11 -16 4 97.61 7.75
-11 -16 4 111.72 7.60
11 16 -4 107.62 7.79
11 -16 -4 117.70 8.65
11 -16 -3 2.36 2.66
11 16 -3 0.33 2.01
-11 -16 3 5.69 2.48
-11 -16 3 1.75 2.50
11 16 -2 223.74 10.87
-11 -16 2 243.06 11.68
11 -16 -2 226.92 12.08
-11 -16 1 53.91 5.54
11 -16 -1 45.90 5.37
11 -16 0 2.85 2.30
-11 -16 0 6.57 2.75
-11 -17 11 92.04 7.41
-11 -17 10 80.23 6.82
-11 -17 9 29.19 4.35
-11 -17 9 33.00 5.05
-11 -17 8 1.37 2.28
11 -17 -8 -2.05 2.33
-11 -17 8 0.82 2.34
11 17 -8 0.80 2.12
-11 -17 7 7.38 2.69
11 17 -7 10.56 3.39
-11 -17 7 3.18 2.31
11 -17 -6 26.00 4.52
-11 -17 6 30.14 4.34
11 17 -6 22.43 4.30
-11 -17 6 25.33 4.40
11 -17 -5 12.95 3.32
-11 -17 5 15.28 3.25
11 17 -5 14.66 3.41
-11 -17 5 10.81 3.30
-11 -17 4 1.62 2.32
11 -17 -4 1.20 2.28
-11 -17 4 1.82 2.38
11 17 -4 1.05 2.29
-11 -17 3 174.16 9.69
11 17 -3 159.43 9.36
-11 -17 3 159.04 9.79
11 -17 -3 158.79 10.06
-11 -17 2 3.31 2.31
11 17 -2 5.16 2.68
11 -17 -2 4.66 2.73
11 -17 -1 69.31 6.63
-11 -17 1 68.80 6.26
-11 -17 0 7.05 2.61
11 -17 0 3.96 2.40
-11 -18 11 4.04 2.66
-11 -18 10 3.62 2.41
-11 -18 9 8.17 2.57
-11 -18 8 8.05 2.63
-11 -18 8 5.42 3.02
11 18 -8 4.82 2.87
-11 -18 7 3.43 2.42
11 18 -7 0.39 2.23
-11 -18 7 0.40 2.72
11 -18 -6 16.74 3.94
-11 -18 6 20.51 3.77
11 18 -6 14.93 3.80
-11 -18 6 19.05 3.94
11 -18 -5 12.64 3.44
-11 -18 5 12.01 3.12
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11 18 -5 13.63 3.31
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11 18 -4 66.59 6.27
11 -18 -4 58.61 6.31
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11 -18 -3 54.22 6.24
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11 18 -3 48.97 5.22
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-11 -18 2 12.22 3.20
11 -18 -2 10.95 3.30
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11 -18 -1 58.14 6.07
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11 -18 0 0.73 1.93
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-11 -19 8 61.57 6.14
-11 -19 7 45.26 5.71
11 19 -7 38.78 5.22
-11 -19 7 35.87 4.82
-11 -19 6 218.69 11.55
11 19 -6 239.02 12.35
-11 -19 6 238.48 12.53
11 -19 -6 232.92 12.47
11 -19 -5 1.64 2.23
-11 -19 5 0.34 2.60
11 19 -5 -0.74 2.14
-11 -19 5 1.92 2.35
11 -19 -4 51.15 5.93
-11 -19 4 55.34 5.76
-11 -19 4 50.58 5.76
11 19 -4 48.80 5.52
-11 -19 3 90.92 7.48
11 -19 -3 96.63 7.98
-11 -19 3 95.67 7.41
11 -19 -2 33.84 4.97
-11 -19 2 36.14 4.82
-11 -19 1 31.43 4.57
11 -19 -1 31.37 4.68
-11 -19 0 29.68 4.33
11 -19 0 22.10 3.87
-11 -20 10 13.17 3.21
-11 -20 9 6.66 2.61
-11 -20 8 251.55 12.54
-11 -20 7 24.82 4.19
-11 -20 7 21.86 4.30
11 -20 -6 42.19 5.39
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11 -20 -5 55.15 6.18
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-11 -20 4 65.09 6.41
11 -20 -4 83.25 7.39
-11 -20 4 70.71 6.46
-11 -20 3 19.06 3.84
11 -20 -3 21.37 4.19
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11 -20 -2 1.98 2.30
-11 -20 2 3.55 2.40
-11 -20 1 1.10 2.03
11 -20 -1 1.54 2.57
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11 -20 0 6.31 2.69
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-11 -21 8 8.58 3.06
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-11 -21 7 4.78 2.55
-11 -21 6 49.66 5.93
-11 -21 6 49.03 5.54
-11 -21 5 3.93 2.81
-11 -21 5 6.44 3.08
11 -21 -5 4.96 3.14
-11 -21 4 40.90 5.42
11 -21 -4 43.13 5.68
-11 -21 4 37.97 4.95
-11 -21 3 19.95 3.75
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-11 -21 2 8.71 2.86
-11 -21 1 113.24 8.34
11 -21 -1 104.26 8.11
-11 -22 9 2.69 2.60
-11 -22 8 1.90 2.33
-11 -22 7 47.63 5.68
-11 -22 6 0.41 2.50
-11 -22 6 -1.84 3.11
-11 -22 5 488.24 18.92
-11 -22 5 455.77 17.97
-11 -22 4 6.26 3.01
-11 -22 4 5.49 2.68
-11 -22 3 0.38 2.09
-11 -22 3 2.55 2.15
-11 -22 2 3.71 2.68
-11 -22 1 69.06 6.63
-11 -23 9 223.36 12.13
-11 -23 8 11.63 3.54
-11 -23 7 4.59 2.70
-11 -23 6 61.27 6.31
-11 -23 5 8.58 3.30
-11 -23 4 272.56 13.34
-11 -23 3 4.46 2.51
-11 -23 2 7.19 2.81
-11 -24 8 315.33 14.77
-11 -24 7 48.72 5.78
-11 -24 6 27.99 4.64
-11 -24 5 1.52 2.49
-11 -24 4 76.66 7.03
-11 -24 3 8.73 3.08
-11 -24 2 207.62 11.62
-11 -25 7 38.89 5.45
-11 -25 6 156.61 10.06
-11 -25 5 0.39 2.70
-11 -25 4 117.07 8.80
-11 -25 3 266.65 13.32
-11 -26 6 5.17 2.84
-11 -26 5 189.38 11.08
-11 -26 4 17.43 3.96
-12 0 10 101.48 7.97
-12 0 9 2.16 2.66
-12 0 8 319.62 13.99
12 0 -7 -0.41 2.61
-12 0 7 0.64 2.43
12 0 -6 1.22 2.54
-12 0 6 0.60 2.27
12 0 -5 0.40 2.07
12 0 -4 52.84 6.02
12 0 -3 -0.37 2.20
12 0 -2 15.75 3.61
12 0 -1 3.22 2.36
-12 1 10 11.53 3.34
-12 -1 10 11.10 3.50
-12 1 9 137.22 8.95
-12 -1 9 119.42 8.48
-12 1 8 29.13 4.43
-12 -1 8 34.09 4.75
12 1 -7 171.45 10.78
12 -1 -7 173.83 10.85
-12 -1 7 166.58 9.73
-12 1 7 177.80 9.82
12 1 -6 4.46 2.48
12 -1 -6 4.92 2.85
-12 -1 6 4.28 2.46
12 -1 -5 10.46 3.37
12 1 -5 11.54 3.39
12 1 -4 116.87 8.69
12 -1 -4 128.62 9.01
12 -1 -3 4.89 2.61
12 1 -3 -0.37 2.09
12 -1 -2 15.26 3.49
12 1 -2 9.00 2.98
12 -1 -1 73.97 6.36
12 1 -1 64.28 5.89
-12 -2 10 31.80 4.84
-12 2 10 35.17 4.82
-12 2 9 4.51 2.92
-12 -2 9 4.82 2.65
-12 2 8 37.69 4.81
-12 -2 8 41.81 5.16
-12 -2 7 103.28 7.71
12 2 -7 103.99 8.33
12 -2 -7 102.57 8.40
12 2 -6 40.36 5.35
12 -2 -6 35.06 5.28
-12 -2 6 34.17 4.51
12 2 -5 122.67 8.99
12 -2 -5 144.62 9.70
-12 -2 5 129.94 8.08
12 2 -4 5.73 3.22
12 -2 -4 5.14 3.17
12 2 -3 105.83 7.98
12 -2 -3 104.71 7.99
12 -2 -2 -0.36 2.20
12 2 -2 0.68 2.31
12 -2 -1 1.00 1.93
12 2 -1 3.44 2.26
-12 -3 10 27.10 4.51
-12 3 10 29.20 4.53
-12 3 9 11.56 3.18
-12 -3 9 9.42 3.27
-12 -3 8 35.71 4.95
-12 -3 7 4.77 2.50
12 3 -7 2.03 3.09
12 3 -6 179.25 10.94
12 -3 -6 193.45 11.37
-12 -3 6 173.65 9.82
-12 -3 5 13.04 3.07
12 3 -5 10.60 3.31
12 -3 -5 6.14 3.08
12 -3 -4 317.49 14.94
12 3 -4 325.22 14.62
-12 -3 4 317.67 13.10
12 3 -3 79.35 7.00
12 -3 -3 81.56 7.13
12 -3 -2 151.66 9.62
12 3 -2 150.41 9.22
12 -3 -1 38.06 4.73
12 3 -1 31.76 4.25
-12 -4 10 -0.80 2.84
-12 -4 9 99.86 7.92
-12 -4 8 59.07 6.11
-12 -4 7 29.55 4.66
12 4 -7 28.35 4.95
-12 -4 6 33.15 4.52
12 4 -6 31.52 4.95
12 -4 -6 28.02 4.90
-12 -4 5 2.80 2.50
12 4 -5 10.51 3.22
12 -4 -5 6.59 3.02
-12 -4 4 61.39 5.59
12 4 -4 48.12 5.88
12 -4 -4 51.45 6.15
12 4 -3 20.03 4.04
12 -4 -3 26.78 4.63
12 4 -2 5.01 2.63
12 -4 -2 5.89 2.80
12 -4 -1 3.08 2.10
-12 -5 9 35.73 5.19
-12 -5 8 30.20 4.54
-12 -5 7 191.47 10.76
-12 -5 6 12.41 3.35
12 5 -6 6.76 3.29
12 -5 -6 9.67 3.58
-12 -5 5 43.01 5.01
12 5 -5 49.22 5.73
12 -5 -5 57.28 6.32
-12 -5 4 18.89 3.65
12 5 -4 15.66 3.68
12 -5 -4 17.90 4.07
12 -5 -3 134.90 9.37
12 5 -3 145.44 9.31
12 -5 -2 75.06 6.88
12 5 -2 64.57 5.94
12 -5 -1 -0.70 2.13
-12 -6 9 43.31 5.53
-12 -6 8 4.16 2.67
-12 -6 7 3.96 2.98
12 -6 -6 69.46 7.01
-12 -6 6 72.17 6.51
12 6 -6 69.94 6.72
-12 -6 5 26.06 4.14
12 6 -5 31.92 4.80
12 -6 -5 21.34 4.17
-12 -6 4 3.12 2.45
12 6 -4 3.33 2.50
12 -6 -4 4.09 2.76
12 6 -3 33.25 4.72
12 -6 -3 40.04 5.26
12 6 -2 1.95 2.14
12 -6 -2 3.78 2.48
12 -6 -1 71.00 6.54
-12 -7 9 12.77 3.68
-12 -7 8 51.08 5.98
-12 -7 7 65.57 6.41
12 -7 -6 71.02 7.00
-12 -7 6 65.20 6.29
12 7 -6 69.28 6.82
-12 -7 5 -0.33 2.50
12 7 -5 -2.29 2.58
12 -7 -5 -1.68 2.62
-12 -7 4 27.50 4.02
12 7 -4 25.70 4.32
12 -7 -4 27.57 4.52
12 7 -3 9.04 2.88
12 -7 -3 10.38 3.27
12 -7 -2 72.60 6.82
12 7 -2 65.84 6.03
12 -7 -1 9.32 2.91
-12 -8 9 35.98 5.26
-12 -8 8 0.78 2.59
-12 -8 7 14.52 3.62
-12 -8 6 16.69 3.58
12 8 -6 18.46 4.08
-12 -8 5 69.37 6.43
12 -8 -5 54.41 6.25
12 8 -5 61.78 6.26
-12 -8 4 24.22 4.04
12 8 -4 26.37 4.33
12 -8 -4 26.03 4.64
12 8 -3 8.33 2.82
12 -8 -3 11.63 3.26
12 8 -2 21.85 3.69
12 -8 -2 19.64 3.88
12 -8 -1 51.56 5.69
-12 -9 9 37.63 5.36
-12 -9 8 14.61 3.92
-12 -9 7 3.40 2.52
-12 -9 6 75.25 6.80
12 9 -6 84.27 7.43
-12 -9 5 7.28 2.84
12 9 -5 7.64 3.01
12 -9 -5 12.25 3.43
-12 -9 4 126.76 8.45
12 9 -4 132.44 8.96
12 -9 -4 130.44 9.37
12 9 -3 15.16 3.45
12 -9 -3 24.96 4.29
12 9 -2 0.96 2.09
12 -9 -2 0.39 2.10
12 -9 -1 63.80 6.38
-12 -10 8 320.97 15.05
-12 -10 7 7.67 3.11
-12 -10 6 -1.47 2.66
12 10 -6 -0.39 2.69
-12 -10 5 3.18 2.62
12 10 -5 3.80 2.45
-12 -10 4 42.35 5.12
12 10 -4 40.38 5.37
12 -10 -4 38.12 5.27
12 10 -3 33.57 4.70
12 -10 -3 44.36 5.55
12 10 -2 36.37 4.54
12 -10 -2 37.73 5.24
12 -10 -1 25.49 4.30
-12 -11 8 20.26 4.49
-12 -11 7 186.00 11.03
-12 -11 6 0.75 2.53
-12 -11 5 1.80 2.36
12 11 -5 1.52 2.20
-12 -11 4 53.29 5.74
12 11 -4 55.83 5.91
12 -11 -3 34.76 5.00
12 11 -3 37.81 4.78
12 11 -2 57.22 5.60
-12 -12 8 34.86 5.31
-12 -12 7 1.97 2.62
-12 -12 6 63.86 6.48
-12 -12 5 138.45 9.27
12 12 -5 139.32 9.47
-12 -12 4 8.87 3.13
12 12 -4 -0.72 2.44
12 12 -3 2.38 2.29
12 12 -2 12.52 3.06
-12 -13 7 1.20 2.27
-12 -13 6 -1.93 3.03
-12 -13 5 26.83 4.51
12 13 -5 26.89 4.63
-12 -13 4 164.12 10.02
12 13 -4 174.45 10.24
12 13 -3 31.48 4.47
12 13 -2 5.94 2.66
-12 -14 6 22.31 4.37
-12 -14 5 103.37 8.13
12 14 -4 3.25 2.58
-12 -14 4 1.47 2.45
12 14 -3 43.74 5.16
12 14 -2 3.12 1.98
-12 -15 6 61.13 6.54
-12 -15 5 8.46 3.15
12 15 -4 5.43 2.72
-12 -15 4 7.86 3.07
12 15 -3 142.31 8.92
12 15 -2 4.35 2.19
12 16 -3 5.41 2.77
0 0 0 0.00 0.00
TITL Mo6_2_auto in P2(1)/n
REM P2(1)/n (#14 in standard setting)
CELL 0.71073 8.415998 36.268827 10.190610 90.0000 111.9917 90.0000
ZERR 37.00 0.000346 0.001180 0.000405 0.0000 0.0047 0.0000
LATT 1
SYMM -x+1/2, y+1/2,-z+1/2
SFAC H N O Mo
UNIT 37.00 37.00 37.00 37.00
TREF
HKLF 4
END
_computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)'
;
_shelx_hkl_checksum 38445
_shelx_res_file
;
TITL Mo7_LT in P21/n #14
mo7_xray_rt.res
created by SHELXL-2019/3 at 21:58:52 on 20-Jan-2025
REM Best SHELXD solution FINAL CC 76.91
REM Fragments: 33 1 1 1 1 1 1 1 1 1 1 1
CELL 0.71073 8.416 36.2688 10.1906 90 111.992 90
ZERR 4 0.0003 0.0012 0.0004 0 0.005 0
LATT 1
SYMM 0.5-X,0.5+Y,0.5-Z
SFAC Mo N O
UNIT 28 24 112
L.S. 15 0 0
PLAN 11
SIZE 0.15 0.15 0.05
TEMP 19.85
CONF
MORE -1
fmap -2 53
acta
SHEL 9999 0.7
OMIT -1 0 1
OMIT -1 1 1
OMIT -1 3 1
OMIT -1 4 1
OMIT -1 5 1
OMIT 0 4 0
OMIT 1 1 2
OMIT 2 3 0
OMIT 2 10 1
REM
REM
REM
WGHT 0.022400 5.937400
EXTI 0.000979
FVAR 0.18284
MO1 1 0.580213 0.392507 0.134575 11.00000 0.01522 0.01478 =
0.01534 0.00161 0.00391 0.00091
MO2 1 0.727901 0.448772 0.404617 11.00000 0.01721 0.01179 =
0.01854 -0.00003 0.00636 0.00112
MO3 1 0.597191 0.304032 0.415813 11.00000 0.02406 0.01653 =
0.01820 -0.00032 0.00795 -0.00729
MO4 1 0.750763 0.360136 0.683684 11.00000 0.02169 0.01523 =
0.01640 -0.00005 0.01020 -0.00177
MO5 1 0.704763 0.308562 0.143401 11.00000 0.02062 0.01493 =
0.01545 -0.00165 0.00594 0.00134
MO6 1 1.012500 0.426152 0.704038 11.00000 0.01860 0.01769 =
0.01623 -0.00186 0.00459 -0.00406
MO7 1 0.914982 0.364206 0.425438 11.00000 0.01254 0.01305 =
0.01333 0.00073 0.00486 0.00039
O1 3 0.604747 0.427823 0.030859 11.00000 0.03094 0.02337 =
0.02163 0.00556 0.00911 0.00134
O2 3 0.741970 0.480905 0.285156 11.00000 0.03072 0.01718 =
0.02918 0.00493 0.01145 0.00019
O3 3 0.634563 0.268683 0.535998 11.00000 0.05766 0.01930 =
0.03140 0.00367 0.02214 -0.00661
O4 3 0.778839 0.321715 0.789496 11.00000 0.04005 0.02203 =
0.02190 0.00484 0.01087 -0.00379
O5 3 0.373012 0.376773 0.050452 11.00000 0.01890 0.02759 =
0.02811 -0.00136 0.00340 -0.00076
O6 3 0.619094 0.470916 0.495340 11.00000 0.03003 0.02365 =
0.03354 -0.00445 0.01583 0.00384
O7 3 0.387208 0.298648 0.300503 11.00000 0.02764 0.04560 =
0.02907 -0.00515 0.00642 -0.01609
O8 3 0.641512 0.390715 0.747855 11.00000 0.03799 0.02596 =
0.03893 -0.00648 0.02566 -0.00125
O9 3 0.510096 0.293474 0.024571 11.00000 0.02661 0.02619 =
0.02560 -0.00442 0.00459 -0.00511
O10 3 0.930035 0.453971 0.799328 11.00000 0.04070 0.02479 =
0.02815 -0.00578 0.01640 -0.00248
O11 3 0.854088 0.285398 0.093548 11.00000 0.02924 0.02754 =
0.02270 -0.00387 0.01063 0.00636
O12 3 1.231992 0.431076 0.781941 11.00000 0.02210 0.03560 =
0.02741 0.00278 0.00169 -0.00720
O13 3 0.703178 0.356393 0.061674 11.00000 0.02380 0.01846 =
0.01716 0.00162 0.01070 0.00211
O14 3 0.965077 0.455791 0.537318 11.00000 0.01967 0.01700 =
0.02162 0.00059 0.00661 -0.00491
O15 3 0.718693 0.279845 0.305689 11.00000 0.03557 0.01448 =
0.01993 0.00061 0.01131 0.00008
O16 3 0.986437 0.378692 0.780761 11.00000 0.02256 0.02021 =
0.01616 0.00160 0.00465 -0.00249
O17 3 0.980275 0.334297 0.321512 11.00000 0.02390 0.02129 =
0.02376 -0.00021 0.01258 0.00380
O18 3 1.105679 0.382066 0.547653 11.00000 0.01613 0.02645 =
0.02087 0.00082 0.00411 -0.00375
O19 3 0.531787 0.421196 0.277174 11.00000 0.01510 0.01833 =
0.02189 -0.00214 0.00715 0.00043
O20 3 0.550432 0.343575 0.523356 11.00000 0.01855 0.02120 =
0.02247 -0.00122 0.00821 -0.00337
O21 3 0.835761 0.405149 0.302042 11.00000 0.01583 0.01543 =
0.01624 0.00242 0.00606 -0.00069
O22 3 0.852219 0.329899 0.539969 11.00000 0.01969 0.01324 =
0.01570 0.00254 0.00674 0.00146
O23 3 0.649507 0.346437 0.282964 11.00000 0.01634 0.01466 =
0.01471 -0.00018 0.00586 -0.00192
O24 3 0.793410 0.400735 0.543028 11.00000 0.01659 0.01365 =
0.01664 -0.00014 0.00772 -0.00020
O25 3 0.802386 0.540069 0.592155 11.00000 0.04439 0.03832 =
0.06033 -0.01428 0.03060 -0.01120
O26 3 1.005325 0.386685 0.062757 11.00000 0.03098 0.05237 =
0.02813 -0.00316 0.01363 -0.00678
O27 3 0.287185 0.471904 0.065384 11.00000 0.04564 0.04676 =
0.05810 -0.01230 0.00750 0.01296
O28 3 0.135703 0.292459 0.727285 11.00000 0.03876 0.02635 =
0.05900 0.00576 0.00157 -0.00092
N1 2 0.948210 0.463937 0.119489 11.00000 0.04252 0.04246 =
0.04942 0.00474 0.02449 -0.00315
N2 2 0.279170 0.387103 0.338517 11.00000 0.02496 0.03902 =
0.03849 0.00483 0.01894 0.00011
N3 2 0.129406 0.251069 0.325418 11.00000 0.04003 0.03150 =
0.03504 0.01162 0.01221 0.00123
N4 2 0.141303 0.310675 0.008776 11.00000 0.03034 0.02970 =
0.03516 0.00156 0.00892 -0.00237
N5 2 0.532856 0.463768 0.751658 11.00000 0.03308 0.02666 =
0.03897 0.00182 0.01754 0.00474
N6 2 0.369500 0.350453 0.781925 11.00000 0.03301 0.03930 =
0.03011 0.00781 0.00442 -0.00524
HKLF 4
REM Mo7_LT in P21/n #14
REM wR2 = 0.0616, GooF = S = 1.134, Restrained GooF = 1.134 for all data
REM R1 = 0.0236 for 8157 Fo > 4sig(Fo) and 0.0265 for all 8766 data
REM 371 parameters refined using 0 restraints
END
WGHT 0.0224 5.9374
REM Highest difference peak 0.748, deepest hole -0.586, 1-sigma level 0.124
Q1 1 0.9133 0.3792 0.0644 11.00000 0.05 0.75
Q2 1 0.3428 0.4789 0.0130 11.00000 0.05 0.72
Q3 1 0.2462 0.4011 0.3787 11.00000 0.05 0.63
Q4 1 0.1588 0.2831 0.6627 11.00000 0.05 0.62
Q5 1 0.0367 0.2978 0.6562 11.00000 0.05 0.60
Q6 1 0.4410 0.4612 0.7580 11.00000 0.05 0.60
Q7 1 0.8632 0.4618 0.1373 11.00000 0.05 0.59
Q8 1 0.7424 0.3604 0.6045 11.00000 0.05 -0.59
Q9 1 0.3610 0.3988 0.3348 11.00000 0.05 0.57
Q10 1 0.9630 0.4410 0.0967 11.00000 0.05 0.57
Q11 1 0.5730 0.4782 0.8071 11.00000 0.05 0.57
;
_shelx_res_checksum 76449
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo Mo1 0.58021(3) 0.39251(2) 0.13457(2) 0.01564(5) Uani d 1 . .
Mo Mo2 0.72790(3) 0.44877(2) 0.40462(2) 0.01594(5) Uani d 1 . .
Mo Mo3 0.59719(3) 0.30403(2) 0.41581(3) 0.01959(6) Uani d 1 . .
Mo Mo4 0.75076(3) 0.36014(2) 0.68368(2) 0.01688(5) Uani d 1 . .
Mo Mo5 0.70476(3) 0.30856(2) 0.14340(2) 0.01724(5) Uani d 1 . .
Mo Mo6 1.01250(3) 0.42615(2) 0.70404(3) 0.01807(5) Uani d 1 . .
Mo Mo7 0.91498(3) 0.36421(2) 0.42544(2) 0.01297(5) Uani d 1 . .
O O1 0.6047(3) 0.42782(6) 0.0309(2) 0.0255(4) Uani d 1 . .
O O2 0.7420(3) 0.48091(6) 0.2852(2) 0.0256(5) Uani d 1 . .
O O3 0.6346(4) 0.26868(6) 0.5360(3) 0.0345(6) Uani d 1 . .
O O4 0.7788(3) 0.32171(6) 0.7895(2) 0.0282(5) Uani d 1 . .
O O5 0.3730(3) 0.37677(6) 0.0505(2) 0.0264(5) Uani d 1 . .
O O6 0.6191(3) 0.47092(6) 0.4953(3) 0.0279(5) Uani d 1 . .
O O7 0.3872(3) 0.29865(8) 0.3005(3) 0.0353(6) Uani d 1 . .
O O8 0.6415(3) 0.39071(7) 0.7479(3) 0.0310(5) Uani d 1 . .
O O9 0.5101(3) 0.29347(6) 0.0246(2) 0.0276(5) Uani d 1 . .
O O10 0.9300(3) 0.45397(6) 0.7993(3) 0.0302(5) Uani d 1 . .
O O11 0.8541(3) 0.28540(6) 0.0935(2) 0.0262(5) Uani d 1 . .
O O12 1.2320(3) 0.43108(7) 0.7819(3) 0.0306(5) Uani d 1 . .
O O13 0.7032(3) 0.35639(6) 0.0617(2) 0.0189(4) Uani d 1 . .
O O14 0.9651(3) 0.45579(5) 0.5373(2) 0.0198(4) Uani d 1 . .
O O15 0.7187(3) 0.27984(6) 0.3057(2) 0.0231(4) Uani d 1 . .
O O16 0.9864(3) 0.37869(6) 0.7808(2) 0.0204(4) Uani d 1 . .
O O17 0.9803(3) 0.33430(6) 0.3215(2) 0.0219(4) Uani d 1 . .
O O18 1.1057(3) 0.38207(6) 0.5477(2) 0.0220(4) Uani d 1 . .
O O19 0.5318(2) 0.42120(5) 0.2772(2) 0.0184(4) Uani d 1 . .
O O20 0.5504(3) 0.34358(6) 0.5234(2) 0.0206(4) Uani d 1 . .
O O21 0.8358(2) 0.40515(5) 0.3020(2) 0.0158(4) Uani d 1 . .
O O22 0.8522(2) 0.32990(5) 0.5400(2) 0.0162(4) Uani d 1 . .
O O23 0.6495(2) 0.34644(5) 0.2830(2) 0.0152(4) Uani d 1 . .
O O24 0.7934(2) 0.40074(5) 0.5430(2) 0.0152(3) Uani d 1 . .
O O25 0.8024(4) 0.54007(8) 0.5922(3) 0.0445(7) Uani d 1 . .
O O26 1.0053(3) 0.38668(8) 0.0628(3) 0.0364(6) Uani d 1 . .
O O27 0.2872(4) 0.47190(9) 0.0654(4) 0.0536(8) Uani d 1 . .
O O28 0.1357(4) 0.29246(7) 0.7273(3) 0.0462(7) Uani d 1 . .
N N1 0.9482(5) 0.46394(10) 0.1195(4) 0.0427(8) Uani d 1 . .
N N2 0.2792(4) 0.38710(9) 0.3385(3) 0.0321(6) Uani d 1 . .
N N3 0.1294(4) 0.25107(9) 0.3254(3) 0.0361(7) Uani d 1 . .
N N4 0.1413(4) 0.31067(8) 0.0088(3) 0.0327(6) Uani d 1 . .
N N5 0.5329(4) 0.46377(8) 0.7517(3) 0.0317(6) Uani d 1 . .
N N6 0.3695(4) 0.35045(9) 0.7819(3) 0.0363(7) Uani d 1 . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mo1 0.01522(10) 0.01478(10) 0.01534(10) 0.00091(8) 0.00391(8) 0.00161(8)
Mo2 0.01721(11) 0.01179(10) 0.01854(11) 0.00112(8) 0.00636(9) -0.00003(8)
Mo3 0.02406(12) 0.01653(11) 0.01820(11) -0.00729(9) 0.00795(9) -0.00032(8)
Mo4 0.02169(11) 0.01523(10) 0.01640(11) -0.00177(9) 0.01020(9) -0.00005(8)
Mo5 0.02062(11) 0.01493(10) 0.01545(11) 0.00134(9) 0.00594(9) -0.00165(8)
Mo6 0.01860(11) 0.01769(11) 0.01623(11) -0.00406(9) 0.00459(9) -0.00186(8)
Mo7 0.01254(10) 0.01305(10) 0.01333(10) 0.00039(8) 0.00486(8) 0.00073(7)
O1 0.0309(11) 0.0234(10) 0.0216(10) 0.0013(9) 0.0091(9) 0.0056(8)
O2 0.0307(11) 0.0172(10) 0.0292(11) 0.0002(9) 0.0114(9) 0.0049(8)
O3 0.0577(17) 0.0193(10) 0.0314(13) -0.0066(11) 0.0221(12) 0.0037(9)
O4 0.0400(13) 0.0220(10) 0.0219(11) -0.0038(10) 0.0109(10) 0.0048(8)
O5 0.0189(10) 0.0276(11) 0.0281(11) -0.0008(9) 0.0034(9) -0.0014(9)
O6 0.0300(11) 0.0237(11) 0.0335(12) 0.0038(9) 0.0158(10) -0.0045(9)
O7 0.0276(12) 0.0456(15) 0.0291(12) -0.0161(11) 0.0064(10) -0.0052(11)
O8 0.0380(13) 0.0260(11) 0.0389(13) -0.0012(10) 0.0257(11) -0.0065(10)
O9 0.0266(11) 0.0262(11) 0.0256(11) -0.0051(9) 0.0046(9) -0.0044(9)
O10 0.0407(13) 0.0248(11) 0.0281(12) -0.0025(10) 0.0164(10) -0.0058(9)
O11 0.0292(11) 0.0275(11) 0.0227(10) 0.0064(9) 0.0106(9) -0.0039(9)
O12 0.0221(11) 0.0356(13) 0.0274(12) -0.0072(10) 0.0017(9) 0.0028(10)
O13 0.0238(10) 0.0185(9) 0.0172(9) 0.0021(8) 0.0107(8) 0.0016(7)
O14 0.0197(9) 0.0170(9) 0.0216(10) -0.0049(8) 0.0066(8) 0.0006(8)
O15 0.0356(12) 0.0145(9) 0.0199(10) 0.0001(9) 0.0113(9) 0.0006(8)
O16 0.0226(10) 0.0202(9) 0.0162(9) -0.0025(8) 0.0047(8) 0.0016(7)
O17 0.0239(10) 0.0213(10) 0.0238(10) 0.0038(8) 0.0126(8) -0.0002(8)
O18 0.0161(9) 0.0264(10) 0.0209(10) -0.0037(8) 0.0041(8) 0.0008(8)
O19 0.0151(9) 0.0183(9) 0.0219(10) 0.0004(8) 0.0072(8) -0.0021(8)
O20 0.0186(9) 0.0212(10) 0.0225(10) -0.0034(8) 0.0082(8) -0.0012(8)
O21 0.0158(8) 0.0154(8) 0.0162(9) -0.0007(7) 0.0061(7) 0.0024(7)
O22 0.0197(9) 0.0132(8) 0.0157(9) 0.0015(7) 0.0067(7) 0.0025(7)
O23 0.0163(9) 0.0147(8) 0.0147(8) -0.0019(7) 0.0059(7) -0.0002(7)
O24 0.0166(8) 0.0137(8) 0.0166(9) -0.0002(7) 0.0077(7) -0.0001(7)
O25 0.0444(16) 0.0383(15) 0.0603(19) -0.0112(13) 0.0306(15) -0.0143(13)
O26 0.0310(12) 0.0524(16) 0.0281(12) -0.0068(12) 0.0136(10) -0.0032(11)
O27 0.0456(17) 0.0468(17) 0.058(2) 0.0130(14) 0.0075(15) -0.0123(15)
O28 0.0388(15) 0.0263(13) 0.0590(19) -0.0009(12) 0.0016(14) 0.0058(12)
N1 0.0425(18) 0.0425(18) 0.049(2) -0.0032(15) 0.0245(16) 0.0047(16)
N2 0.0250(13) 0.0390(16) 0.0385(16) 0.0001(12) 0.0189(12) 0.0048(13)
N3 0.0400(17) 0.0315(15) 0.0350(16) 0.0012(13) 0.0122(13) 0.0116(13)
N4 0.0303(15) 0.0297(15) 0.0352(16) -0.0024(12) 0.0089(12) 0.0016(12)
N5 0.0331(15) 0.0267(14) 0.0390(16) 0.0047(12) 0.0175(13) 0.0018(12)
N6 0.0330(15) 0.0393(17) 0.0301(15) -0.0052(14) 0.0044(12) 0.0078(13)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Mo1 Mo5 . . 127.58(8) ?
O1 Mo1 O5 . . 105.79(11) ?
O1 Mo1 O13 . . 93.57(10) ?
O1 Mo1 O19 . . 99.62(10) ?
O1 Mo1 O21 . . 90.79(9) ?
O1 Mo1 O23 . . 158.93(9) ?
O5 Mo1 Mo5 . . 87.65(8) ?
O5 Mo1 O13 . . 99.66(10) ?
O5 Mo1 O19 . . 95.29(10) ?
O5 Mo1 O21 . . 161.92(9) ?
O5 Mo1 O23 . . 92.82(9) ?
O13 Mo1 Mo5 . . 34.05(6) ?
O13 Mo1 O21 . . 86.19(8) ?
O13 Mo1 O23 . . 73.23(8) ?
O19 Mo1 Mo5 . . 129.96(6) ?
O19 Mo1 O13 . . 156.58(8) ?
O19 Mo1 O21 . . 74.43(8) ?
O19 Mo1 O23 . . 88.19(8) ?
O21 Mo1 Mo5 . . 87.85(5) ?
O23 Mo1 Mo5 . . 41.79(5) ?
O23 Mo1 O21 . . 72.36(7) ?
O2 Mo2 Mo6 . . 128.51(8) ?
O2 Mo2 O6 . . 104.77(11) ?
O2 Mo2 O14 . . 94.47(10) ?
O2 Mo2 O19 . . 98.13(10) ?
O2 Mo2 O21 . . 90.05(9) ?
O2 Mo2 O24 . . 158.70(9) ?
O6 Mo2 Mo6 . . 88.07(8) ?
O6 Mo2 O14 . . 100.22(10) ?
O6 Mo2 O19 . . 96.26(10) ?
O6 Mo2 O21 . . 163.33(9) ?
O6 Mo2 O24 . . 94.69(9) ?
O14 Mo2 Mo6 . . 34.11(6) ?
O14 Mo2 O21 . . 85.91(8) ?
O14 Mo2 O24 . . 73.28(8) ?
O19 Mo2 Mo6 . . 130.37(6) ?
O19 Mo2 O14 . . 155.97(8) ?
O19 Mo2 O21 . . 73.74(7) ?
O19 Mo2 O24 . . 88.10(8) ?
O21 Mo2 Mo6 . . 88.55(5) ?
O24 Mo2 Mo6 . . 42.29(5) ?
O24 Mo2 O21 . . 72.07(7) ?
O3 Mo3 O7 . . 105.54(13) ?
O3 Mo3 O15 . . 94.46(11) ?
O3 Mo3 O20 . . 99.86(11) ?
O3 Mo3 O22 . . 91.65(10) ?
O3 Mo3 O23 . . 159.18(11) ?
O7 Mo3 O15 . . 100.25(11) ?
O7 Mo3 O20 . . 95.50(11) ?
O7 Mo3 O22 . . 161.35(11) ?
O7 Mo3 O23 . . 92.86(10) ?
O15 Mo3 O22 . . 85.25(8) ?
O15 Mo3 O23 . . 72.34(8) ?
O20 Mo3 O15 . . 155.04(9) ?
O20 Mo3 O22 . . 74.06(8) ?
O20 Mo3 O23 . . 87.73(8) ?
O23 Mo3 O22 . . 71.68(7) ?
O4 Mo4 Mo6 . . 129.30(8) ?
O4 Mo4 O16 . . 94.91(10) ?
O4 Mo4 O20 . . 98.51(10) ?
O4 Mo4 O22 . . 90.96(9) ?
O4 Mo4 O24 . . 160.29(10) ?
O8 Mo4 Mo6 . . 86.90(8) ?
O8 Mo4 O4 . . 104.55(12) ?
O8 Mo4 O16 . . 99.77(11) ?
O8 Mo4 O20 . . 95.72(11) ?
O8 Mo4 O22 . . 162.63(10) ?
O8 Mo4 O24 . . 93.31(10) ?
O16 Mo4 Mo6 . . 34.52(6) ?
O16 Mo4 O22 . . 86.39(8) ?
O16 Mo4 O24 . . 73.55(8) ?
O20 Mo4 Mo6 . . 129.86(6) ?
O20 Mo4 O16 . . 156.25(9) ?
O20 Mo4 O22 . . 73.93(8) ?
O20 Mo4 O24 . . 87.75(8) ?
O22 Mo4 Mo6 . . 89.26(5) ?
O24 Mo4 Mo6 . . 42.17(5) ?
O24 Mo4 O22 . . 72.74(7) ?
O9 Mo5 Mo1 . . 93.84(8) ?
O9 Mo5 O11 . . 104.04(11) ?
O9 Mo5 O13 . . 97.57(10) ?
O9 Mo5 O15 . . 99.70(11) ?
O9 Mo5 O23 . . 106.49(10) ?
O11 Mo5 Mo1 . . 135.60(8) ?
O11 Mo5 O13 . . 101.42(10) ?
O11 Mo5 O15 . . 99.90(10) ?
O11 Mo5 O23 . . 149.47(9) ?
O13 Mo5 Mo1 . . 35.19(6) ?
O13 Mo5 O23 . . 75.04(8) ?
O15 Mo5 Mo1 . . 116.90(6) ?
O15 Mo5 O13 . . 148.30(9) ?
O15 Mo5 O23 . . 74.66(8) ?
O23 Mo5 Mo1 . . 42.54(5) ?
Mo2 Mo6 Mo4 . . 83.053(9) ?
O10 Mo6 Mo2 . . 94.12(9) ?
O10 Mo6 Mo4 . . 93.55(8) ?
O10 Mo6 O12 . . 105.60(12) ?
O10 Mo6 O14 . . 100.21(10) ?
O10 Mo6 O16 . . 99.39(10) ?
O10 Mo6 O24 . . 105.62(10) ?
O12 Mo6 Mo2 . . 134.60(8) ?
O12 Mo6 Mo4 . . 134.28(8) ?
O12 Mo6 O14 . . 100.43(10) ?
O12 Mo6 O16 . . 99.78(10) ?
O12 Mo6 O24 . . 148.78(10) ?
O14 Mo6 Mo2 . . 34.96(6) ?
O14 Mo6 Mo4 . . 116.75(6) ?
O14 Mo6 O16 . . 146.78(9) ?
O14 Mo6 O24 . . 74.45(8) ?
O16 Mo6 Mo2 . . 117.08(6) ?
O16 Mo6 Mo4 . . 35.28(6) ?
O16 Mo6 O24 . . 74.58(8) ?
O24 Mo6 Mo2 . . 42.69(5) ?
O24 Mo6 Mo4 . . 42.51(5) ?
O17 Mo7 O18 . . 104.46(10) ?
O17 Mo7 O21 . . 101.35(9) ?
O17 Mo7 O22 . . 100.84(9) ?
O17 Mo7 O23 . . 83.84(9) ?
O17 Mo7 O24 . . 172.28(9) ?
O18 Mo7 O21 . . 100.56(9) ?
O18 Mo7 O22 . . 101.32(9) ?
O18 Mo7 O23 . . 171.70(9) ?
O18 Mo7 O24 . . 83.26(9) ?
O21 Mo7 O22 . . 143.63(8) ?
O21 Mo7 O23 . . 77.26(8) ?
O21 Mo7 O24 . . 77.13(8) ?
O22 Mo7 O23 . . 76.90(8) ?
O22 Mo7 O24 . . 77.02(7) ?
O23 Mo7 O24 . . 88.45(7) ?
Mo5 O13 Mo1 . . 110.76(9) ?
Mo6 O14 Mo2 . . 110.93(10) ?
Mo5 O15 Mo3 . . 111.67(10) ?
Mo6 O16 Mo4 . . 110.19(10) ?
Mo1 O19 Mo2 . . 114.13(10) ?
Mo3 O20 Mo4 . . 114.05(10) ?
Mo1 O21 Mo2 . . 93.34(7) ?
Mo7 O21 Mo1 . . 110.12(9) ?
Mo7 O21 Mo2 . . 110.05(9) ?
Mo4 O22 Mo3 . . 93.15(7) ?
Mo7 O22 Mo3 . . 110.61(9) ?
Mo7 O22 Mo4 . . 109.93(9) ?
Mo1 O23 Mo3 . . 154.04(10) ?
Mo1 O23 Mo7 . . 99.82(7) ?
Mo3 O23 Mo7 . . 100.48(7) ?
Mo5 O23 Mo1 . . 95.67(7) ?
Mo5 O23 Mo3 . . 95.92(7) ?
Mo5 O23 Mo7 . . 101.59(8) ?
Mo2 O24 Mo7 . . 100.35(7) ?
Mo4 O24 Mo2 . . 154.59(10) ?
Mo4 O24 Mo7 . . 99.84(7) ?
Mo6 O24 Mo2 . . 95.02(7) ?
Mo6 O24 Mo4 . . 95.32(8) ?
Mo6 O24 Mo7 . . 102.97(8) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Mo1 Mo5 . 3.2102(3) ?
Mo1 O1 . 1.722(2) ?
Mo1 O5 . 1.727(2) ?
Mo1 O13 . 1.978(2) ?
Mo1 O19 . 1.950(2) ?
Mo1 O21 . 2.2359(19) ?
Mo1 O23 . 2.1813(19) ?
Mo2 Mo6 . 3.2010(4) ?
Mo2 O2 . 1.721(2) ?
Mo2 O6 . 1.724(2) ?
Mo2 O14 . 1.964(2) ?
Mo2 O19 . 1.951(2) ?
Mo2 O21 . 2.265(2) ?
Mo2 O24 . 2.1786(19) ?
Mo3 O3 . 1.719(2) ?
Mo3 O7 . 1.728(2) ?
Mo3 O15 . 1.983(2) ?
Mo3 O20 . 1.933(2) ?
Mo3 O22 . 2.248(2) ?
Mo3 O23 . 2.1996(19) ?
Mo4 Mo6 . 3.2072(3) ?
Mo4 O4 . 1.723(2) ?
Mo4 O8 . 1.719(2) ?
Mo4 O16 . 1.974(2) ?
Mo4 O20 . 1.952(2) ?
Mo4 O22 . 2.2390(19) ?
Mo4 O24 . 2.1764(19) ?
Mo5 O9 . 1.722(2) ?
Mo5 O11 . 1.738(2) ?
Mo5 O13 . 1.922(2) ?
Mo5 O15 . 1.921(2) ?
Mo5 O23 . 2.1497(19) ?
Mo6 O10 . 1.717(2) ?
Mo6 O12 . 1.725(2) ?
Mo6 O14 . 1.922(2) ?
Mo6 O16 . 1.937(2) ?
Mo6 O24 . 2.162(2) ?
Mo7 O17 . 1.742(2) ?
Mo7 O18 . 1.746(2) ?
Mo7 O21 . 1.8981(19) ?
Mo7 O22 . 1.9108(19) ?
Mo7 O23 . 2.2551(19) ?
Mo7 O24 . 2.2708(19) ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O17 Mo7 O21 Mo1 . . . . 75.71(11) ?
O17 Mo7 O21 Mo2 . . . . 177.24(9) ?
O18 Mo7 O21 Mo1 . . . . -177.04(10) ?
O18 Mo7 O21 Mo2 . . . . -75.52(10) ?
O22 Mo7 O21 Mo1 . . . . -50.88(17) ?
O22 Mo7 O21 Mo2 . . . . 50.64(17) ?
O23 Mo7 O21 Mo1 . . . . -5.22(8) ?
O23 Mo7 O21 Mo2 . . . . 96.31(9) ?
O24 Mo7 O21 Mo1 . . . . -96.55(9) ?
O24 Mo7 O21 Mo2 . . . . 4.98(8) ?
_cod_database_fobs_code 2023593