#------------------------------------------------------------------------------
#$Date: 2024-12-07 18:10:50 +0100 (Sat, 07 Dec 2024) $
#$Revision: 296777 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/32/2023282.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_2023282
loop_
_publ_author_name
'Gotingco, Angela'
'Villanueva Contreras, Merary'
'Wolfarth, Jeanette A.'
'Stieber, S. Chantal E.'
'Marr, Zoe Y.'
_publ_section_title
;
Crystal structure of a hydrogen-bonded 2:1 co-crystal of 4-nitrophenol
and 4,4′-bipyridine
;
_journal_coeditor_code JY2052
_journal_issue 11
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_page_first 1135
_journal_page_last 1137
_journal_paper_doi 10.1107/S205698902400971X
_journal_volume 80
_journal_year 2024
_chemical_formula_iupac 'C10 H8 N2, 2C6 H5 N O3'
_chemical_formula_moiety 'C10 H8 N2, 2(C6 H5 N O3)'
_chemical_formula_sum 'C22 H18 N4 O6'
_chemical_formula_weight 434.40
_chemical_name_systematic
;
4,4'-Bipyridine--4-nitrophenol (1/2)
;
_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_hydrogens mixed
_atom_sites_solution_primary dual
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_cell_angle_alpha 90
_cell_angle_beta 104.195(2)
_cell_angle_gamma 90
_cell_formula_units_Z 2
_cell_length_a 12.3711(7)
_cell_length_b 3.8255(2)
_cell_length_c 21.4175(12)
_cell_measurement_reflns_used 5585
_cell_measurement_temperature 123.00
_cell_measurement_theta_max 30.29
_cell_measurement_theta_min 2.16
_cell_volume 982.65(9)
_computing_cell_refinement
;
SAINT V8.40B (Bruker, 2018)
;
_computing_data_collection
;
APEX4 (Bruker, 2018)
;
_computing_data_reduction
;
SAINT V8.40B (Bruker, 2018)
;
_computing_molecular_graphics
;
Olex2 1.5 (Dolomanov et al., 2009)
;
_computing_publication_material
;
Olex2 1.5 (Dolomanov et al., 2009)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2018/2 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature 123.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type 'Bruker D8 Venture'
_diffrn_measurement_method '\f and \w scans'
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0756
_diffrn_reflns_av_unetI/netI 0.0409
_diffrn_reflns_limit_h_max 17
_diffrn_reflns_limit_h_min -17
_diffrn_reflns_limit_k_max 5
_diffrn_reflns_limit_k_min -5
_diffrn_reflns_limit_l_max 30
_diffrn_reflns_limit_l_min -30
_diffrn_reflns_number 24119
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 30.356
_diffrn_reflns_theta_min 1.962
_diffrn_source_current 1.4
_diffrn_source_power 0.07
_diffrn_source_voltage 50.0
_diffrn_standards_number 0
_exptl_absorpt_coefficient_mu 0.109
_exptl_absorpt_correction_T_max 0.7460
_exptl_absorpt_correction_T_min 0.5006
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al., 2015)
;
_exptl_crystal_colour 'clear colourless'
_exptl_crystal_density_diffrn 1.468
_exptl_crystal_description prism
_exptl_crystal_F_000 452
_exptl_crystal_size_max 0.47
_exptl_crystal_size_mid 0.07
_exptl_crystal_size_min 0.03
_refine_diff_density_max 0.469
_refine_diff_density_min -0.367
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.098
_refine_ls_hydrogen_treatment mixed
_refine_ls_matrix_type full
_refine_ls_number_parameters 149
_refine_ls_number_reflns 2957
_refine_ls_number_restraints 0
_refine_ls_restrained_S_all 1.098
_refine_ls_R_factor_all 0.0765
_refine_ls_R_factor_gt 0.0574
_refine_ls_shift/su_max 0.000
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0648P)^2^+0.7817P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.1470
_refine_ls_wR_factor_ref 0.1610
_reflns_number_gt 2302
_reflns_number_total 2957
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file jy2052.cif
_cod_data_source_block I
_cod_depositor_comments 'Adding full bibliography for 2023282.cif.'
_cod_database_code 2023282
_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_hkl_file
;
-2 0 0 5064.49 259.87
2 0 0 4885.81 259.57
-3 0 0 -0.30 1.00
-3 0 0 1.10 1.10
3 0 0 -0.40 1.20
3 0 0 0.90 2.30
3 0 0 0.30 1.00
-3 0 0 -1.60 1.60
4 0 0 1077.19 65.89
-4 0 0 1201.48 62.59
4 0 0 1107.29 63.59
-4 0 0 1140.29 62.29
4 0 0 1263.97 62.49
5 0 0 6.90 2.70
-5 0 0 2.90 1.40
-5 0 0 7.40 2.20
5 0 0 3.00 3.40
5 0 0 4.30 1.90
-6 0 0 70.09 6.80
6 0 0 78.99 6.70
-6 0 0 50.89 5.90
6 0 0 66.49 7.40
6 0 0 43.00 9.30
-7 0 0 17.90 4.10
7 0 0 13.80 6.00
7 0 0 19.20 5.00
-7 0 0 19.30 4.00
-7 0 0 15.00 3.70
8 0 0 86.89 8.60
8 0 0 89.09 14.70
8 0 0 82.49 9.90
-8 0 0 96.29 9.20
-8 0 0 90.69 9.50
9 0 0 -0.20 1.00
-9 0 0 0.10 2.00
-9 0 0 2.80 3.20
9 0 0 -1.80 2.20
9 0 0 0.60 2.30
-10 0 0 120.29 12.20
10 0 0 119.19 13.30
-10 0 0 129.99 12.50
-10 0 0 132.59 13.30
10 0 0 153.98 12.80
10 0 0 129.29 17.00
11 0 0 -0.50 3.00
11 0 0 4.80 5.20
-11 0 0 0.60 4.00
-11 0 0 9.60 4.30
-11 0 0 -2.70 2.70
11 0 0 -4.70 2.70
-12 0 0 10.00 6.00
-12 0 0 5.90 4.10
12 0 0 3.30 4.00
12 0 0 7.80 7.40
-12 0 0 0.10 3.50
13 0 0 1.80 7.00
-13 0 0 0.80 6.30
-13 0 0 0.60 5.20
-13 0 0 8.30 6.20
-14 0 0 29.00 8.70
14 0 0 42.80 12.70
-14 0 0 45.90 12.50
15 0 0 -1.00 8.70
-15 0 0 3.50 5.90
-15 0 0 4.70 8.80
-15 0 0 -2.50 4.70
-16 0 0 110.29 17.20
-16 0 0 128.59 20.80
-17 0 0 -8.30 7.20
-17 0 0 -2.80 9.60
0 -1 0 -1.10 1.70
0 -1 0 -2.20 1.40
0 -1 0 -2.10 1.50
0 -1 0 -1.70 2.50
0 -1 0 0.10 1.00
0 1 0 0.40 0.60
0 1 0 -2.20 1.10
-1 -1 0 51.59 6.30
1 -1 0 48.90 5.40
1 -1 0 52.09 4.60
-1 -1 0 52.19 4.20
1 -1 0 55.29 5.90
-1 -1 0 56.19 4.10
1 -1 0 52.39 6.60
-1 -1 0 59.09 3.90
1 -1 0 48.30 9.60
-1 1 0 61.19 5.60
-1 1 0 57.29 4.80
-1 1 0 53.69 5.60
1 1 0 55.19 5.00
3 -1 0 71.99 7.10
-3 -1 0 65.49 5.90
3 -1 0 79.79 15.40
3 -1 0 56.29 5.50
3 -1 0 52.99 7.50
3 1 0 64.19 5.70
-3 1 0 71.19 7.00
-3 1 0 65.99 6.00
-3 1 0 66.89 7.20
4 -1 0 10.50 2.80
4 -1 0 5.50 2.60
-4 -1 0 10.90 3.00
4 -1 0 12.40 6.20
-4 -1 0 9.30 2.10
-4 1 0 9.60 3.80
4 1 0 6.70 2.00
-4 1 0 8.60 3.60
-4 1 0 10.10 2.80
-5 -1 0 432.26 24.30
5 -1 0 421.06 25.30
5 -1 0 366.76 28.50
5 -1 0 348.77 31.80
-5 -1 0 426.16 25.50
-5 1 0 436.86 26.70
5 1 0 388.36 24.70
-5 1 0 455.35 27.50
-5 1 0 411.46 25.50
6 -1 0 779.82 51.29
-6 -1 0 847.62 46.20
6 -1 0 736.73 55.59
6 -1 0 871.21 47.50
-6 -1 0 807.82 48.20
-6 1 0 822.82 49.30
6 1 0 839.52 46.80
-6 1 0 847.82 56.59
7 -1 0 402.26 30.00
-7 -1 0 388.16 25.70
7 -1 0 364.76 33.30
7 -1 0 391.16 25.40
-7 -1 0 391.16 24.70
-7 1 0 408.46 26.90
-7 1 0 386.36 25.80
-7 1 0 427.86 28.00
7 1 0 365.06 24.70
8 -1 0 4.50 3.00
8 -1 0 7.80 5.90
-8 -1 0 6.20 3.20
8 -1 0 5.10 4.30
-8 1 0 11.60 5.10
-8 1 0 -0.50 1.80
-8 1 0 5.00 4.20
8 1 0 4.20 1.30
9 -1 0 101.19 20.50
9 -1 0 109.69 10.80
-9 -1 0 104.39 10.20
9 -1 0 91.49 15.80
9 1 0 97.29 7.80
-9 1 0 101.49 11.70
9 1 0 99.39 8.80
-9 1 0 94.09 14.10
-9 1 0 98.29 10.60
-10 -1 0 43.50 7.20
-10 -1 0 33.80 7.10
10 -1 0 27.60 13.20
10 -1 0 24.60 8.80
-10 1 0 52.09 10.40
-10 1 0 26.50 7.40
-10 1 0 33.10 7.50
10 1 0 38.60 5.10
10 1 0 43.20 4.50
11 -1 0 192.28 24.40
-11 -1 0 222.48 18.20
11 -1 0 287.67 54.29
-11 -1 0 241.38 21.50
-11 -1 0 206.98 17.00
-11 1 0 202.88 18.80
-11 1 0 227.48 21.00
11 1 0 223.58 14.10
11 1 0 212.88 15.00
-11 1 0 209.58 20.40
-12 -1 0 25.30 6.60
-12 -1 0 23.80 7.40
12 -1 0 14.00 10.70
-12 -1 0 29.00 6.60
-12 -1 0 26.20 6.60
-12 1 0 29.80 8.30
-12 1 0 46.40 10.20
-12 1 0 31.10 9.90
12 1 0 24.90 5.00
-13 -1 0 51.39 9.40
-13 -1 0 38.50 10.80
-13 -1 0 54.69 10.10
13 -1 0 37.90 12.80
-13 -1 0 63.29 12.10
-13 1 0 39.70 9.20
-13 1 0 38.10 10.00
-14 -1 0 56.39 10.60
-14 -1 0 34.90 9.00
-14 -1 0 57.69 14.40
14 -1 0 46.50 16.20
-14 -1 0 48.60 10.00
-14 1 0 37.10 11.30
-14 1 0 38.50 9.70
-15 -1 0 -0.60 7.00
15 -1 0 14.80 11.00
-15 -1 0 -6.00 6.80
15 -1 0 -2.00 1.70
-15 -1 0 0.60 5.40
-15 1 0 5.40 6.00
-15 1 0 20.60 7.80
-16 -1 0 -3.20 7.40
-16 -1 0 1.30 7.30
16 -1 0 -4.40 12.60
-16 -1 0 11.10 6.90
-16 1 0 -13.30 6.30
-16 1 0 0.60 6.00
-16 1 0 -18.20 7.70
0 -2 0 384.76 21.90
0 -2 0 395.26 23.20
0 -2 0 302.47 27.50
0 -2 0 346.67 23.10
0 -2 0 342.67 25.20
0 2 0 368.36 21.50
0 2 0 375.16 21.70
-1 -2 0 57.49 6.30
1 -2 0 40.10 10.60
-1 -2 0 49.99 5.10
1 -2 0 56.79 5.70
1 -2 0 57.79 8.30
-1 -2 0 46.60 9.80
-1 -2 0 57.49 7.70
1 -2 0 66.79 6.90
-1 -2 0 54.99 6.20
-1 2 0 44.80 6.50
1 2 0 53.69 4.20
1 2 0 57.89 4.20
-1 2 0 57.29 4.50
1 2 0 67.19 6.70
-1 2 0 55.99 7.50
-1 2 0 53.59 5.70
2 -2 0 204.78 19.10
-2 -2 0 219.58 13.10
2 -2 0 212.08 17.00
-2 -2 0 227.18 18.80
-2 -2 0 232.18 14.50
-2 -2 0 233.98 17.50
2 -2 0 214.68 14.90
2 -2 0 179.88 23.10
2 -2 0 256.87 16.80
-2 -2 0 223.18 14.50
-2 2 0 236.08 14.00
-2 2 0 219.68 16.40
2 2 0 222.48 15.60
-2 2 0 225.58 16.20
-2 2 0 211.08 15.10
-3 -2 0 1.20 3.40
-3 -2 0 3.00 2.70
-3 -2 0 1.00 1.80
-3 -2 0 4.50 2.10
3 -2 0 5.50 4.50
3 -2 0 9.00 2.70
3 -2 0 11.20 4.50
-3 -2 0 5.10 2.00
3 -2 0 0.70 3.50
-3 2 0 9.50 4.50
3 2 0 3.70 2.20
-3 2 0 6.10 2.70
-3 2 0 1.00 3.20
4 -2 0 3285.17 165.28
-4 -2 0 3066.99 163.58
-4 -2 0 3066.49 160.88
4 -2 0 2744.13 176.78
-4 -2 0 3146.19 163.48
4 -2 0 2912.31 171.28
-4 -2 0 3089.59 162.28
-4 -2 0 3120.59 160.98
4 -2 0 3081.09 167.88
-4 2 0 3264.17 165.48
-4 2 0 3360.76 167.98
4 2 0 3071.79 164.98
-4 2 0 3144.79 167.28
5 -2 0 48.90 7.00
5 -2 0 19.10 9.70
-5 -2 0 52.79 7.40
5 -2 0 26.40 7.90
-5 -2 0 33.20 6.70
-5 2 0 55.79 9.60
-5 2 0 50.79 7.70
-5 2 0 41.80 8.20
5 2 0 38.10 6.30
6 -2 0 8.10 8.30
-6 -2 0 2.20 2.60
6 -2 0 -1.00 2.60
-6 -2 0 2.60 1.30
6 -2 0 3.60 2.40
-6 2 0 7.50 3.50
6 2 0 3.90 2.30
-6 2 0 2.90 4.00
-6 2 0 1.30 4.30
7 -2 0 157.78 13.10
7 -2 0 156.88 28.10
-7 -2 0 133.49 13.00
7 -2 0 138.39 17.10
-7 -2 0 140.19 11.40
-7 2 0 166.68 16.30
-7 2 0 132.29 13.00
7 2 0 136.99 12.40
-7 2 0 164.08 15.90
8 -2 0 662.03 40.70
-8 -2 0 648.34 38.90
-8 -2 0 712.33 42.10
8 -2 0 593.14 53.29
8 -2 0 590.84 46.90
-8 2 0 679.33 41.90
-8 2 0 702.93 44.90
-8 2 0 665.63 44.20
8 2 0 618.44 40.00
9 -2 0 112.59 12.90
9 -2 0 114.29 16.60
-9 -2 0 141.39 11.60
-9 -2 0 132.49 13.60
9 -2 0 116.39 25.50
-9 2 0 118.49 12.70
-9 2 0 101.19 16.30
9 2 0 84.89 13.50
10 -2 0 81.79 11.90
-10 -2 0 93.89 13.70
-10 -2 0 80.89 9.40
10 -2 0 67.69 18.60
10 2 0 80.19 11.90
-10 2 0 116.99 16.60
-10 2 0 100.59 14.00
-11 -2 0 4.30 5.00
11 -2 0 3.00 9.70
-11 -2 0 -0.50 2.80
-11 -2 0 -2.20 2.70
-11 2 0 0.90 5.00
-11 2 0 -5.60 4.70
-12 -2 0 86.19 15.40
-12 -2 0 62.39 10.50
-12 -2 0 33.90 6.60
12 -2 0 44.10 18.60
-12 -2 0 50.39 7.30
-12 2 0 46.90 12.00
-12 2 0 52.09 10.80
-13 -2 0 58.49 9.20
-13 -2 0 79.69 17.00
13 -2 0 90.09 25.20
-13 -2 0 61.49 8.50
-13 2 0 73.59 13.80
-13 2 0 54.89 13.30
-14 -2 0 14.20 8.40
-14 -2 0 6.60 7.70
-14 -2 0 14.50 7.60
14 -2 0 24.50 14.70
-14 2 0 10.60 9.30
-14 2 0 9.30 7.20
-15 -2 0 -2.90 5.50
15 -2 0 6.40 15.10
-15 -2 0 -5.00 5.60
-15 -2 0 2.40 6.70
-15 2 0 10.20 7.60
-15 2 0 8.70 7.90
-15 2 0 -4.80 7.20
0 -3 0 -0.90 2.40
0 -3 0 -0.50 3.40
0 -3 0 -1.00 1.70
0 -3 0 0.00 4.70
0 -3 0 -4.90 4.10
0 3 0 2.20 1.70
0 3 0 -0.50 1.70
0 3 0 4.10 2.40
1 -3 0 33.80 6.00
-1 -3 0 29.90 6.70
-1 -3 0 50.59 10.90
-1 -3 0 35.90 10.90
1 -3 0 30.80 7.50
-1 -3 0 33.30 5.60
1 -3 0 39.30 12.80
1 -3 0 42.00 10.50
-1 3 0 37.90 6.10
1 3 0 27.70 6.10
-1 3 0 40.60 7.10
1 3 0 36.80 2.80
2 -3 0 11.00 3.60
-2 -3 0 8.90 2.90
-2 -3 0 19.80 8.90
2 -3 0 15.70 7.20
-2 -3 0 14.20 5.60
-2 -3 0 9.20 3.20
2 -3 0 10.60 5.80
2 -3 0 10.80 6.30
-2 3 0 7.80 3.80
2 3 0 18.30 5.00
-2 3 0 11.70 2.30
-2 3 0 8.00 3.90
-2 3 0 12.10 4.90
3 -3 0 34.80 14.50
3 -3 0 53.39 7.80
3 -3 0 44.90 10.00
-3 -3 0 50.39 7.10
-3 -3 0 36.70 6.60
-3 -3 0 52.79 9.60
3 -3 0 70.89 15.00
-3 -3 0 37.20 9.30
-3 -3 0 42.00 6.10
-3 3 0 60.19 10.50
-3 3 0 42.20 7.20
-3 3 0 57.59 5.70
3 3 0 38.50 7.30
-3 3 0 33.30 7.00
4 -3 0 13.70 6.50
-4 -3 0 14.20 4.30
4 -3 0 8.50 6.40
4 -3 0 4.70 6.90
-4 -3 0 10.90 3.80
-4 -3 0 5.10 3.90
-4 -3 0 9.40 3.20
-4 -3 0 13.70 3.90
-4 -3 0 12.50 2.80
4 -3 0 7.90 3.70
-4 3 0 22.00 4.90
-4 3 0 13.40 4.50
-4 3 0 9.90 4.60
-4 3 0 5.50 4.90
4 3 0 13.80 4.20
-5 -3 0 174.78 12.50
5 -3 0 169.58 32.40
-5 -3 0 176.68 13.90
5 -3 0 163.58 21.20
-5 -3 0 173.58 12.40
-5 -3 0 164.08 12.20
5 -3 0 166.48 14.70
-5 -3 0 180.18 13.00
5 3 0 154.08 14.30
-5 3 0 196.48 14.70
-5 3 0 177.18 17.00
-5 3 0 182.68 15.60
6 -3 0 657.43 60.79
-6 -3 0 754.62 43.30
-6 -3 0 700.33 41.80
-6 -3 0 810.02 44.10
6 -3 0 708.83 54.69
-6 -3 0 758.02 42.20
6 -3 0 771.82 46.20
6 3 0 770.92 46.30
-6 3 0 800.42 47.30
-6 3 0 788.82 49.30
-7 -3 0 593.84 33.00
-7 -3 0 593.34 33.10
7 -3 0 622.04 49.90
7 -3 0 500.75 52.19
-7 3 0 608.34 39.30
7 3 0 566.64 45.20
-7 3 0 651.53 42.10
8 -3 0 8.40 7.40
-8 -3 0 22.30 4.80
8 -3 0 16.70 10.50
8 -3 0 38.50 7.80
-8 -3 0 32.30 6.80
-8 3 0 28.50 9.30
8 3 0 22.90 6.30
-8 3 0 32.40 8.90
-9 -3 0 34.50 6.70
9 -3 0 32.30 13.50
-9 -3 0 39.60 8.40
-9 3 0 43.70 10.00
9 3 0 56.99 11.10
-9 3 0 63.49 13.20
-10 -3 0 179.68 17.10
-10 -3 0 145.09 14.20
10 3 0 169.18 16.40
-10 3 0 170.68 18.60
-11 -3 0 9.90 6.50
-11 -3 0 7.20 4.60
11 -3 0 -7.20 11.00
-11 3 0 3.20 7.40
11 3 0 5.30 4.80
-11 3 0 7.40 5.60
-12 -3 0 0.00 4.40
-12 -3 0 8.20 6.40
-12 3 0 13.50 9.40
-12 3 0 8.50 7.50
-13 -3 0 -1.20 5.50
13 -3 0 2.50 13.70
-13 -3 0 -2.40 6.40
-13 3 0 9.10 8.30
-13 3 0 11.50 7.90
-13 3 0 -5.30 8.60
14 -3 0 -5.80 14.20
-14 -3 0 0.80 6.40
-14 -3 0 -8.20 8.50
-14 3 0 -0.20 7.30
-14 3 0 -8.30 8.80
-14 3 0 -1.20 6.90
0 -4 0 291.87 21.00
0 -4 0 287.47 25.40
0 -4 0 309.17 32.40
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8 -2 -2 368.76 32.80
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4 -2 -2 1502.25 103.89
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2 -2 -2 1525.65 82.29
2 -2 -2 1540.65 85.59
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8 -2 -7 2.30 7.50
8 -2 -7 4.20 3.90
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7 -2 -7 0.80 3.70
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7 -2 -7 -0.40 4.00
7 -2 -7 0.10 2.50
7 -2 -7 0.80 3.70
7 -2 -7 6.80 4.10
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-7 2 7 -3.30 3.60
-7 2 7 -1.30 3.00
-7 2 7 -0.10 1.90
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6 -2 -7 58.89 6.30
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6 -2 -7 52.69 9.80
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6 -2 -7 92.99 16.90
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6 2 -7 45.90 10.60
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-6 2 7 60.89 12.60
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5 -2 -7 307.37 24.20
5 -2 -7 341.77 21.20
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-5 2 7 337.17 25.50
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4 -2 -7 16.40 3.20
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3 -2 -7 15.70 4.70
3 -2 -7 9.30 4.60
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3 2 -7 7.10 3.10
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2 -2 -7 86.59 10.70
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2 2 -7 87.39 7.20
2 2 -7 87.09 14.60
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1 -2 -7 32.40 7.00
1 -2 -7 27.80 5.40
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1 2 -7 24.40 2.80
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2 2 7 120.49 10.70
2 2 7 129.69 8.90
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3 -2 7 516.45 42.60
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5 -2 7 12.80 4.70
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2 -3 -7 4.30 3.70
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14 -2 -8 24.70 17.60
-14 -2 8 22.70 7.40
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-14 2 8 40.90 10.40
-14 2 8 35.30 10.80
-13 -2 8 142.59 14.50
-13 -2 8 159.28 16.20
-13 2 8 178.28 25.20
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-12 -2 8 17.10 5.80
12 -2 -8 15.60 14.60
-12 -2 8 20.00 5.50
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11 -2 -8 3.50 7.60
-11 -2 8 2.70 2.60
-11 -2 8 -0.40 2.90
-11 -2 8 1.30 3.50
-11 2 8 7.00 4.40
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-10 -2 8 6.20 3.30
-10 -2 8 6.60 3.80
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10 -2 -8 -2.60 3.90
10 -2 -8 3.90 8.20
10 -2 -8 4.00 4.20
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-10 2 8 0.10 6.30
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-10 2 8 6.20 5.80
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9 -2 -8 -1.50 9.90
9 -2 -8 -0.10 2.70
9 -2 -8 5.60 3.80
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9 -2 -8 4.10 5.70
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-9 2 8 7.80 4.70
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-9 2 8 1.90 3.10
-9 2 8 10.80 6.00
-9 2 8 -0.60 4.20
8 -2 -8 147.49 15.00
-8 -2 8 162.98 12.50
8 -2 -8 152.18 12.90
8 -2 -8 145.79 18.00
-8 -2 8 160.38 11.60
-8 2 8 178.48 17.30
-8 2 8 164.08 19.60
8 2 -8 147.39 14.30
-8 2 8 160.88 16.20
-8 2 8 154.78 16.10
8 2 -8 132.29 12.40
-8 2 8 151.38 13.50
-8 2 8 158.28 13.30
7 -2 -8 2.00 4.40
7 -2 -8 -1.10 2.70
-7 -2 8 0.10 2.00
7 -2 -8 1.90 4.40
-7 -2 8 0.40 2.00
-7 -2 8 -0.30 1.90
7 -2 -8 1.50 2.20
7 -2 -8 -1.30 3.80
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-7 2 8 0.50 3.10
7 2 -8 4.50 3.10
-7 2 8 -2.30 4.00
-7 2 8 -0.40 2.10
-7 2 8 2.00 3.80
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6 -2 -8 63.89 6.70
-6 -2 8 67.69 6.50
-6 -2 8 68.59 7.50
-6 -2 8 72.09 7.70
6 -2 -8 52.99 10.70
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6 2 -8 75.39 11.40
6 2 -8 53.19 9.40
-6 2 8 67.89 6.00
-6 2 8 90.59 12.30
-6 2 8 85.89 12.40
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-5 -2 8 64.89 7.20
-5 -2 8 98.49 9.40
5 -2 -8 86.09 15.10
-5 -2 8 83.49 7.50
5 -2 -8 82.49 7.40
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-5 2 8 77.29 7.50
-5 2 8 78.99 9.20
-5 2 8 83.49 6.20
5 2 -8 81.79 9.60
-5 2 8 100.59 13.50
4 -2 -8 1.50 3.40
-4 -2 8 4.80 3.50
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-4 -2 8 4.90 2.50
4 -2 -8 -2.00 2.40
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4 2 -8 5.00 1.40
4 2 -8 2.60 2.80
-4 2 8 9.10 3.50
-4 2 8 0.40 3.10
-4 2 8 3.50 1.80
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-3 -2 8 417.56 24.30
-3 -2 8 453.45 26.10
3 -2 -8 372.86 27.40
3 -2 -8 434.46 30.50
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3 2 -8 349.27 29.90
-3 2 8 408.26 26.40
-3 2 8 354.86 29.90
-3 2 8 419.46 27.10
3 2 -8 422.46 28.10
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3 2 -8 415.86 23.90
2 -2 -8 275.77 19.60
2 -2 -8 277.07 20.20
2 -2 -8 282.97 22.10
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-2 -2 8 281.77 16.90
-2 -2 8 278.87 19.80
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2 2 -8 287.27 17.50
-2 2 8 287.47 20.40
2 2 -8 236.08 23.30
-2 2 8 280.47 18.60
-2 2 8 271.77 19.30
-2 2 8 287.37 16.10
-1 -2 8 643.14 36.40
-1 -2 8 762.92 47.50
-1 -2 8 662.53 39.40
1 -2 -8 634.24 39.60
1 -2 -8 679.73 41.50
-1 -2 8 702.13 40.10
1 -2 -8 675.13 39.50
1 2 -8 668.63 36.50
-1 2 8 658.83 39.40
1 2 -8 626.14 37.60
-1 2 8 680.23 37.70
-1 2 8 646.14 39.30
1 2 -8 554.64 44.90
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0 -2 -8 238.38 18.20
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0 -2 -8 250.07 17.50
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0 2 8 222.68 17.00
0 2 -8 239.28 15.10
0 2 -8 206.98 22.70
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0 2 -8 278.67 18.50
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1 -2 8 239.08 18.00
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1 2 8 250.47 17.70
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-2 2 -8 13.30 3.60
-2 2 -8 17.20 5.10
-2 2 -8 34.30 12.00
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3 -2 8 240.58 19.50
-3 -2 -8 228.38 15.20
-3 -2 -8 230.58 17.60
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-5 2 -8 0.90 2.50
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6 -2 8 12.00 9.40
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-7 -2 -8 12.10 3.30
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-7 2 -8 13.90 8.90
-7 2 -8 9.80 4.30
-7 2 -8 8.40 6.10
-7 2 -8 16.50 4.90
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-8 -2 -8 110.39 9.40
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-11 2 -8 -6.00 4.40
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13 -3 -8 35.80 21.10
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11 -3 -8 11.70 13.10
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9 -3 -8 73.89 10.20
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8 -3 -8 33.10 13.30
8 -3 -8 28.30 8.00
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3 -3 -8 -0.70 5.80
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1 -3 -8 -1.30 2.20
1 -3 -8 10.10 4.70
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1 -3 -8 6.30 4.50
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5 -4 -8 21.70 4.90
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3 -4 -8 8.40 5.90
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3 4 -8 4.90 4.60
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-13 1 -9 -12.00 5.90
-13 1 -9 8.30 7.30
-14 -1 -9 -3.00 6.80
-14 -1 -9 7.40 7.80
14 -1 9 -6.90 10.20
-14 1 -9 16.30 8.30
-14 1 -9 1.10 7.70
-14 1 -9 -6.40 7.50
-16 -2 9 -5.00 6.80
16 -2 -9 -34.10 16.80
-15 -2 9 20.60 9.20
-15 -2 9 13.90 7.40
15 -2 -9 18.30 20.10
-15 2 9 56.89 12.50
-15 2 9 45.50 11.90
-14 -2 9 57.59 10.60
-14 -2 9 68.99 11.50
14 -2 -9 49.50 18.20
-14 2 9 70.49 13.30
14 2 -9 73.89 12.30
-14 2 9 33.10 12.50
-13 -2 9 -3.70 4.70
13 -2 -9 -5.00 11.30
-13 -2 9 0.10 0.40
13 2 -9 0.60 3.50
-13 2 9 2.60 5.50
-13 2 9 -6.50 6.40
-12 -2 9 1.40 3.70
-12 -2 9 2.40 3.90
-12 -2 9 4.20 4.30
12 -2 -9 0.40 9.10
-12 2 9 3.70 6.80
12 2 -9 7.60 5.40
11 -2 -9 42.50 16.80
-11 -2 9 30.30 6.60
-11 -2 9 38.20 6.60
-11 -2 9 30.40 6.30
-11 2 9 36.20 8.80
-11 2 9 14.60 11.10
11 2 -9 36.60 7.70
-10 -2 9 64.09 9.70
-10 -2 9 50.89 7.50
10 -2 -9 43.00 15.60
10 -2 -9 26.80 9.40
-10 2 9 35.10 9.20
-10 2 9 54.79 15.30
-10 2 9 49.90 9.10
-10 2 9 47.80 11.80
10 2 -9 35.80 7.70
9 -2 -9 6.80 4.40
-9 -2 9 1.30 2.30
-9 -2 9 0.40 3.00
9 -2 -9 -1.30 5.00
9 -2 -9 -1.20 4.10
9 2 -9 2.50 3.10
-9 2 9 -0.20 2.70
-9 2 9 3.30 5.60
-9 2 9 2.20 3.30
-9 2 9 7.60 5.90
9 2 -9 4.90 3.40
-9 2 9 -1.40 4.70
-8 -2 9 146.69 12.30
-8 -2 9 155.18 12.10
8 -2 -9 140.19 17.50
8 -2 -9 140.29 15.00
-8 -2 9 155.48 13.80
8 2 -9 119.89 12.70
-8 2 9 160.68 13.50
-8 2 9 132.99 18.00
-8 2 9 142.99 15.60
-8 2 9 149.99 16.20
-8 2 9 161.68 11.60
8 2 -9 156.78 14.40
7 -2 -9 4.40 4.80
7 -2 -9 3.80 3.40
7 -2 -9 -5.20 3.50
-7 -2 9 2.00 1.80
-7 -2 9 0.50 2.60
-7 -2 9 2.90 2.30
-7 2 9 2.70 2.60
-7 2 9 -3.80 3.90
7 2 -9 2.50 2.60
-7 2 9 6.10 2.50
-7 2 9 8.90 4.80
-7 2 9 3.60 5.60
7 2 -9 1.60 3.20
-6 -2 9 -1.90 2.00
6 -2 -9 4.70 4.00
-6 -2 9 -0.10 1.90
-6 -2 9 3.40 2.90
6 -2 -9 5.40 3.80
6 -2 -9 -0.60 3.40
6 2 -9 4.30 3.30
-6 2 9 1.80 2.70
-6 2 9 1.10 4.00
6 2 -9 -0.30 2.30
-6 2 9 -0.70 3.60
-6 2 9 1.70 1.70
-5 -2 9 139.29 10.80
-5 -2 9 138.09 10.60
5 -2 -9 129.69 13.10
5 -2 -9 125.49 14.90
-5 -2 9 136.19 12.30
5 2 -9 106.89 13.10
5 2 -9 125.39 12.60
-5 2 9 137.59 10.40
-5 2 9 143.19 8.80
-5 2 9 128.89 12.70
-5 2 9 105.89 14.90
-5 2 9 101.49 11.60
-4 -2 9 329.77 20.40
4 -2 -9 309.37 23.40
4 -2 -9 329.47 25.80
4 2 -9 342.97 19.00
4 2 -9 321.37 23.50
-4 2 9 340.67 23.30
-4 2 9 300.27 19.60
4 2 -9 270.57 24.50
-4 2 9 343.77 22.80
-3 -2 9 4.80 3.50
3 -2 -9 0.20 2.40
-3 -2 9 6.70 2.50
-3 -2 9 2.40 2.40
3 -2 -9 6.70 4.70
3 -2 -9 6.80 3.90
3 2 -9 5.60 2.20
3 2 -9 0.90 3.60
-3 2 9 3.80 2.60
-3 2 9 11.00 3.60
-3 2 9 2.60 1.40
-3 2 9 3.70 3.20
3 2 -9 -0.20 1.70
-2 -2 9 145.79 12.10
-2 -2 9 158.78 12.90
-2 -2 9 129.69 10.10
2 -2 -9 155.38 14.40
2 -2 -9 147.79 12.80
2 -2 -9 152.78 13.20
-2 2 9 147.99 9.00
-2 2 9 120.19 14.20
-2 2 9 139.79 11.60
2 2 -9 140.39 15.80
2 2 -9 146.89 10.70
1 -2 -9 68.79 8.80
-1 -2 9 65.09 9.40
1 -2 -9 65.79 9.60
-1 -2 9 72.39 8.20
-1 -2 9 91.39 15.80
-1 -2 9 56.89 5.70
1 -2 -9 49.40 8.30
1 2 -9 64.39 14.40
-1 2 9 45.60 7.40
1 2 -9 55.09 5.50
1 2 -9 51.39 6.20
-1 2 9 62.49 6.30
-1 2 9 61.79 10.60
-1 2 9 60.09 8.60
0 -2 9 4.10 2.60
0 -2 9 -0.50 3.40
0 -2 9 4.30 3.20
0 -2 -9 6.80 4.00
0 -2 9 7.00 2.40
0 -2 -9 9.20 3.90
0 -2 -9 5.40 3.10
0 -2 -9 6.10 3.20
0 2 -9 8.90 2.70
0 2 9 10.10 2.90
0 2 -9 1.80 1.90
0 2 9 6.00 3.00
0 2 9 7.00 3.80
0 2 9 7.40 4.50
0 2 -9 2.40 4.40
1 -2 9 37.70 7.70
-1 -2 -9 33.90 6.40
-1 -2 -9 38.70 6.20
1 -2 9 46.00 13.50
1 -2 9 45.40 7.90
-1 -2 -9 32.20 3.90
1 2 9 42.10 4.90
-1 2 -9 40.90 6.80
-1 2 -9 27.00 13.00
1 2 9 41.60 8.50
-1 2 -9 42.30 6.00
1 2 9 42.40 4.30
1 2 9 42.10 7.80
2 -2 9 108.99 11.80
-2 -2 -9 119.19 9.90
2 -2 9 130.59 18.20
-2 -2 -9 107.99 8.70
-2 -2 -9 115.49 11.20
2 -2 9 104.19 11.30
-2 -2 -9 120.29 10.60
2 2 9 113.99 11.00
-2 2 -9 108.09 10.80
-2 2 -9 116.79 9.90
-2 2 -9 122.79 11.00
2 2 9 110.89 13.00
-2 2 -9 71.49 15.80
3 -2 9 744.53 47.50
3 -2 9 792.52 57.79
-3 -2 -9 758.52 42.90
-3 -2 -9 818.52 45.00
-3 -2 -9 775.22 43.00
-3 -2 -9 736.23 45.80
3 -2 9 788.72 46.50
-3 2 -9 767.22 44.50
-3 2 -9 716.43 45.40
-3 2 -9 617.44 54.09
3 2 9 738.23 45.30
3 2 9 740.43 45.90
-3 2 -9 762.42 46.30
4 -2 9 0.40 4.00
-4 -2 -9 4.80 1.40
4 -2 9 7.10 3.80
-4 -2 -9 7.40 2.60
4 -2 9 1.20 4.70
-4 -2 -9 11.20 4.10
-4 -2 -9 1.30 2.50
-4 -2 -9 4.10 3.00
-4 2 -9 4.70 3.40
4 2 9 6.20 4.10
-4 2 -9 5.30 3.30
-4 2 -9 4.40 3.10
-4 2 -9 2.70 5.80
-5 -2 -9 43.80 7.20
-5 -2 -9 50.09 6.40
5 -2 9 37.70 13.40
-5 -2 -9 30.50 7.20
5 -2 9 45.90 8.50
-5 -2 -9 40.70 8.40
-5 -2 -9 29.90 4.20
5 -2 9 57.29 10.80
-5 2 -9 34.10 7.70
5 2 9 45.60 7.30
-5 2 -9 42.20 7.50
-5 2 -9 19.70 10.70
5 2 9 41.30 8.60
-5 2 -9 37.70 8.10
-6 -2 -9 73.89 9.70
6 -2 9 56.59 15.60
-6 -2 -9 78.49 7.40
-6 -2 -9 106.09 14.80
-6 -2 -9 79.99 7.20
-6 2 -9 85.89 12.90
-6 2 -9 99.69 11.10
6 2 9 75.89 7.80
-6 2 -9 106.49 14.50
7 -2 9 21.20 8.00
-7 -2 -9 51.89 10.50
7 -2 9 31.70 11.20
-7 -2 -9 40.20 5.90
-7 -2 -9 27.70 7.60
-7 -2 -9 30.00 5.30
-7 2 -9 43.80 10.40
-7 2 -9 41.60 9.40
-7 2 -9 41.70 12.10
-7 2 -9 34.60 8.60
-8 -2 -9 62.69 11.20
-8 -2 -9 57.39 8.20
-8 -2 -9 71.29 12.20
8 -2 9 69.99 21.70
-8 -2 -9 71.89 7.50
-8 2 -9 74.99 12.50
-8 2 -9 92.09 13.50
-8 2 -9 78.29 12.80
-9 -2 -9 167.78 18.20
-9 -2 -9 210.38 16.70
9 -2 9 239.18 38.30
-9 -2 -9 192.78 20.10
-9 -2 -9 199.38 15.90
-9 2 -9 213.58 20.40
-9 2 -9 204.28 19.90
-9 2 -9 185.28 19.10
-10 -2 -9 10.80 6.50
10 -2 9 -2.50 9.30
-10 -2 -9 2.60 5.20
-10 -2 -9 4.00 4.00
-10 -2 -9 7.80 3.70
-10 2 -9 9.50 5.80
-10 2 -9 14.10 11.60
-11 -2 -9 11.70 5.50
-11 -2 -9 3.20 4.50
11 -2 9 15.30 11.80
-11 -2 -9 23.40 10.20
-11 2 -9 6.80 7.30
-11 2 -9 10.90 6.50
-12 -2 -9 -0.60 4.50
-12 -2 -9 -4.00 4.80
12 -2 9 5.70 11.40
-12 -2 -9 4.90 5.40
-12 2 -9 -4.10 6.70
-12 2 -9 7.70 6.60
-12 2 -9 1.20 6.10
-13 -2 -9 6.40 6.50
-13 -2 -9 -1.50 5.80
-13 -2 -9 0.80 6.10
13 -2 9 0.80 15.10
-13 2 -9 -0.30 7.70
-13 2 -9 4.30 8.30
-13 2 -9 12.90 10.80
14 -3 -9 0.70 14.20
-14 -3 9 15.80 6.30
-14 -3 9 7.90 8.30
14 3 -9 8.60 6.20
-14 3 9 0.00 6.60
-14 3 9 -1.00 17.10
-13 -3 9 18.10 8.30
-13 -3 9 1.10 5.30
13 -3 -9 23.70 16.80
-13 -3 9 7.20 6.00
-13 3 9 14.80 7.40
-13 3 9 10.10 10.80
13 3 -9 13.80 6.30
-12 -3 9 23.40 6.40
12 -3 -9 11.10 15.70
-12 -3 9 36.90 6.20
-12 -3 9 2.70 7.60
12 3 -9 17.60 6.70
-12 3 9 28.20 10.70
-11 -3 9 26.70 6.30
-11 -3 9 35.30 7.80
11 -3 -9 35.50 16.50
-11 -3 9 37.80 9.60
11 3 -9 35.10 10.20
-11 3 9 49.50 12.30
-10 -3 9 13.90 6.20
10 -3 -9 18.50 13.90
-10 -3 9 20.10 4.60
-10 -3 9 15.70 4.60
-10 3 9 26.60 7.00
10 3 -9 22.60 8.00
-9 -3 9 25.00 6.60
-9 -3 9 46.00 7.00
-9 -3 9 41.80 6.70
9 -3 -9 24.10 8.80
-9 3 9 56.99 9.50
-9 3 9 37.70 12.30
-9 3 9 46.60 6.70
9 3 -9 53.49 10.60
-9 3 9 43.10 12.50
-8 -3 9 118.09 10.20
8 -3 -9 134.89 24.50
-8 -3 9 98.79 10.50
8 -3 -9 69.79 21.70
8 -3 -9 100.99 11.30
-8 -3 9 107.19 10.30
-8 3 9 93.59 10.60
8 3 -9 101.29 15.70
-8 3 9 94.79 16.30
7 -3 -9 109.39 10.30
7 -3 -9 86.49 17.40
7 -3 -9 82.19 13.60
-7 -3 9 123.29 11.00
-7 -3 9 106.09 10.10
7 -3 -9 63.89 20.20
-7 -3 9 103.39 9.40
7 3 -9 122.39 13.50
-7 3 9 88.19 13.20
-7 3 9 113.09 17.10
-7 3 9 115.09 10.50
-7 3 9 98.09 8.50
7 3 -9 73.79 11.90
-7 3 9 80.09 17.50
6 -3 -9 135.89 10.70
6 -3 -9 91.39 13.90
6 -3 -9 124.09 17.20
-6 -3 9 125.89 12.50
-6 -3 9 96.09 8.70
-6 -3 9 115.89 10.90
-6 3 9 81.29 16.10
-6 3 9 111.89 10.30
6 3 -9 128.89 14.00
-6 3 9 106.59 13.00
-6 3 9 117.09 17.20
-5 -3 9 16.90 5.50
5 -3 -9 13.00 8.00
-5 -3 9 11.30 4.60
5 -3 -9 4.80 4.90
-5 3 9 9.10 5.20
5 3 -9 8.30 5.20
-5 3 9 9.80 5.80
5 3 -9 6.50 5.90
-5 3 9 8.70 4.80
-5 3 9 8.30 3.30
-5 3 9 11.20 7.30
-4 -3 9 87.79 12.40
-4 -3 9 79.69 9.20
4 -3 -9 79.39 12.60
-4 -3 9 91.49 12.60
4 -3 -9 111.79 14.60
-4 3 9 86.69 13.50
-4 3 9 81.59 6.30
4 3 -9 56.19 13.40
-4 3 9 84.19 7.40
-4 3 9 72.19 10.60
4 3 -9 55.99 11.10
-4 3 9 60.89 19.00
-4 3 9 73.89 11.10
3 -3 -9 6.60 4.40
3 -3 -9 4.10 5.30
-3 -3 9 6.60 6.20
-3 -3 9 7.60 4.30
-3 -3 9 7.40 4.00
-3 3 9 3.90 1.50
-3 3 9 6.80 4.00
3 3 -9 4.10 2.40
3 3 -9 -7.20 5.80
-3 3 9 3.40 4.00
-3 3 9 1.10 1.40
-3 3 9 1.20 3.10
3 3 -9 10.80 6.00
3 3 -9 3.60 1.70
-3 3 9 4.10 5.00
2 -3 -9 139.59 18.40
-2 -3 9 141.49 13.90
-2 -3 9 149.88 13.90
-2 -3 9 137.39 18.30
2 -3 -9 148.49 14.70
2 3 -9 153.68 12.10
-2 3 9 141.79 12.50
2 3 -9 96.79 19.20
2 3 -9 143.29 10.50
-2 3 9 120.79 12.60
-2 3 9 125.89 16.10
-2 3 9 141.89 8.80
-2 3 9 136.99 11.60
2 3 -9 144.99 15.10
-1 -3 9 102.99 13.80
1 -3 -9 78.99 9.10
1 -3 -9 100.29 12.50
-1 -3 9 87.59 17.00
-1 -3 9 70.99 10.70
1 -3 -9 63.49 10.80
-1 3 9 64.89 12.40
-1 3 9 83.99 5.90
-1 3 9 71.89 7.50
1 3 -9 89.69 12.40
1 3 -9 52.39 14.90
-1 3 9 71.59 9.80
-1 3 9 66.69 8.30
0 -3 -9 165.38 16.20
0 -3 9 158.88 15.90
0 -3 -9 179.18 15.20
0 -3 -9 200.08 17.80
0 -3 9 211.18 25.10
0 -3 9 189.78 17.50
0 3 9 185.88 12.30
0 3 9 160.88 17.80
0 3 -9 184.38 14.50
0 3 9 198.78 13.20
0 3 -9 173.08 15.60
0 3 9 205.38 13.40
0 3 9 188.18 15.20
-1 -3 -9 185.98 16.10
-1 -3 -9 197.88 16.90
1 -3 9 207.08 26.60
-1 -3 -9 209.48 18.10
1 -3 9 238.58 19.10
-1 3 -9 211.48 16.50
-1 3 -9 196.98 13.00
1 3 9 230.78 17.20
1 3 9 233.68 14.00
1 3 9 171.38 18.20
-1 3 -9 215.78 18.20
-2 -3 -9 -3.70 3.20
2 -3 9 3.60 5.70
2 -3 9 -6.10 3.40
-2 -3 -9 10.30 7.10
2 -3 9 -2.20 4.30
-2 -3 -9 -0.50 2.40
-2 -3 -9 -2.40 2.60
-2 3 -9 -3.60 2.50
-2 3 -9 3.00 1.90
2 3 9 -5.80 2.50
2 3 9 2.50 3.90
3 -3 9 162.68 15.10
-3 -3 -9 132.19 13.60
3 -3 9 175.78 32.10
3 -3 9 151.48 17.10
-3 -3 -9 170.38 13.90
-3 -3 -9 166.48 13.70
-3 3 -9 134.09 14.30
-3 3 -9 131.59 13.50
3 3 9 155.28 14.40
-3 3 -9 141.59 11.70
-4 -3 -9 95.49 13.00
4 -3 9 82.19 22.40
-4 -3 -9 82.29 9.30
4 -3 9 74.89 12.40
-4 -3 -9 79.19 10.20
-4 3 -9 68.59 8.40
-4 3 -9 89.89 13.80
-4 3 -9 67.89 12.10
-4 3 -9 79.69 12.20
4 3 9 85.69 12.60
5 -3 9 -1.10 8.90
-5 -3 -9 -4.80 6.90
-5 -3 -9 1.80 3.20
-5 -3 -9 7.00 3.60
-5 3 -9 -0.20 4.00
-5 3 -9 -0.30 2.50
-5 3 -9 1.10 4.00
6 -3 9 21.10 10.80
-6 -3 -9 33.60 7.00
-6 -3 -9 44.70 9.00
-6 3 -9 43.90 8.50
-6 3 -9 31.10 12.20
-6 3 -9 35.30 9.40
-7 -3 -9 8.90 3.80
-7 -3 -9 7.00 5.10
-7 -3 -9 11.90 4.50
-7 -3 -9 13.70 2.50
7 -3 9 -1.30 10.40
-7 3 -9 4.90 4.70
-7 3 -9 15.00 6.10
-7 3 -9 1.10 5.70
8 -3 9 22.60 13.80
-8 -3 -9 -0.80 4.90
-8 -3 -9 0.60 5.00
-8 -3 -9 6.20 2.70
-8 3 -9 -0.20 4.60
-8 3 -9 14.70 7.50
-8 3 -9 14.70 7.00
-9 -3 -9 62.19 7.70
-9 3 -9 66.19 12.80
-9 3 -9 51.79 12.70
-9 3 -9 49.00 10.80
-10 -3 -9 61.99 16.20
10 -3 9 21.60 14.70
-10 -3 -9 51.19 6.50
-10 3 -9 43.40 12.70
-10 3 -9 49.30 11.60
-10 3 -9 50.89 11.70
-11 -3 -9 36.10 6.10
-11 -3 -9 34.40 6.80
11 -3 9 66.89 26.60
-11 -3 -9 31.60 10.50
-11 3 -9 34.40 9.90
-11 3 -9 27.00 9.70
-11 3 -9 11.30 10.30
-12 -3 -9 7.50 4.90
-12 3 -9 -7.00 10.00
-11 -4 9 3.40 5.90
11 -4 -9 -4.60 17.50
-11 -4 9 14.70 5.30
11 4 -9 13.40 9.80
-11 4 9 11.90 11.30
-11 4 9 11.20 7.70
10 -4 -9 1.80 13.60
-10 -4 9 1.70 3.60
-10 -4 9 -10.20 6.50
-10 4 9 -3.60 5.50
10 4 -9 -5.70 4.10
-10 4 9 4.20 9.90
9 -4 -9 1.30 14.60
-9 -4 9 -0.80 6.30
-9 4 9 -2.20 8.20
-9 4 9 0.00 5.30
9 4 -9 4.90 5.50
-8 -4 9 55.69 8.40
8 -4 -9 40.50 21.30
-8 -4 9 54.89 9.30
-8 -4 9 69.59 12.00
8 4 -9 66.79 14.10
-8 4 9 43.20 13.60
-8 4 9 59.19 10.30
7 -4 -9 37.70 22.00
7 -4 -9 67.69 13.60
-7 4 9 55.69 18.80
-7 4 9 62.49 9.60
7 4 -9 66.69 12.30
-6 -4 9 36.60 8.40
6 -4 -9 24.50 13.70
6 -4 -9 35.40 14.60
6 -4 -9 22.30 8.20
-6 4 9 23.60 9.20
6 4 -9 18.00 7.20
-6 4 9 31.70 6.90
-6 4 9 36.40 5.80
-5 -4 9 49.10 10.50
-5 -4 9 86.19 18.40
5 -4 -9 76.59 26.00
5 -4 -9 65.09 16.20
5 -4 -9 34.70 11.00
-5 4 9 71.19 7.20
-5 4 9 58.39 10.70
-5 4 9 100.69 15.00
-5 4 9 48.20 10.00
5 4 -9 42.50 10.40
-4 -4 9 10.50 12.80
4 -4 -9 15.60 8.70
4 -4 -9 16.90 17.60
-4 -4 9 6.20 7.00
4 -4 -9 10.10 6.80
4 4 -9 12.00 5.70
-4 4 9 16.40 6.80
-4 4 9 -5.30 5.70
-4 4 9 14.30 3.40
3 -4 -9 -4.50 8.00
-3 -4 9 -8.10 6.90
3 -4 -9 2.50 6.00
-3 -4 9 -9.30 6.20
-3 4 9 5.10 5.30
-3 4 9 4.20 2.40
-3 4 9 4.00 5.40
3 4 -9 7.00 4.80
-3 4 9 0.20 4.00
2 -4 -9 14.40 8.70
2 -4 -9 4.00 10.20
-2 -4 9 22.20 9.40
2 -4 -9 12.70 6.40
-2 4 9 17.50 3.40
-2 4 9 13.50 5.00
2 4 -9 15.90 6.40
-2 4 9 13.40 4.80
1 -4 -9 220.48 22.40
1 -4 -9 183.68 32.30
1 -4 -9 226.98 20.50
-1 -4 9 252.67 29.10
-1 4 9 207.68 13.80
-1 4 9 215.18 13.90
-1 4 9 183.98 13.10
1 4 -9 227.38 21.30
1 4 -9 194.48 16.10
-1 4 9 198.58 16.40
0 -4 -9 246.18 23.30
0 -4 -9 308.07 25.90
0 -4 -9 224.88 30.50
0 -4 9 299.37 34.40
0 4 -9 284.57 21.70
0 4 9 257.47 20.20
0 4 -9 283.27 19.70
0 4 9 315.77 18.50
-1 -4 -9 16.00 5.40
1 -4 9 34.30 17.00
-1 -4 -9 23.80 8.20
-1 -4 -9 26.40 7.90
-1 -4 -9 2.10 9.40
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9 2 -10 117.29 12.60
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8 -2 -10 19.50 7.10
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-8 -2 10 17.40 4.90
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7 2 -10 40.70 8.70
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6 -2 -10 9.90 4.90
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1 -2 -10 34.60 7.30
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1 0 29 335.87 37.40
-1 0 -29 304.17 27.40
-1 0 -29 250.47 29.70
8 -1 -29 14.50 10.50
-8 -1 29 -8.10 10.50
-8 -1 29 6.50 9.80
8 1 -29 5.60 5.90
8 1 -29 1.80 10.20
-8 1 29 16.80 11.30
-8 1 29 4.50 6.20
-7 -1 29 9.50 11.40
7 -1 -29 13.70 12.00
-7 -1 29 4.80 10.20
7 1 -29 -0.20 9.90
-7 1 29 9.30 10.90
7 1 -29 0.00 4.90
-6 -1 29 -5.40 10.70
6 -1 -29 13.10 8.80
6 1 -29 0.50 4.60
-6 1 29 -15.20 8.70
-6 1 29 -9.00 12.00
6 1 -29 11.30 8.50
-5 -1 29 -5.10 8.80
5 -1 -29 -6.20 5.80
-5 -1 29 -0.50 9.50
-5 1 29 -10.70 10.50
5 1 -29 -1.50 4.70
5 1 -29 -5.40 8.20
5 1 -29 -1.30 6.80
-5 1 29 -15.50 11.30
-4 -1 29 14.30 11.50
4 -1 -29 2.40 11.00
-4 -1 29 -8.50 14.20
4 1 -29 8.70 7.80
4 1 -29 7.00 8.90
-4 1 29 18.40 10.10
-4 1 29 -19.50 11.70
4 1 -29 13.20 6.10
3 -1 -29 12.30 9.10
-3 -1 29 10.70 11.30
3 -1 -29 3.20 3.10
-3 -1 29 10.00 16.40
-3 1 29 2.90 8.70
3 1 -29 7.10 5.50
-3 1 29 -18.40 15.70
3 1 -29 9.30 10.20
3 1 -29 -0.20 8.20
2 -1 -29 0.10 3.40
-2 -1 29 3.00 10.60
2 -1 -29 -6.90 8.10
2 -1 -29 8.60 6.40
2 1 -29 4.40 9.00
-2 1 29 -11.70 11.50
-2 1 29 10.60 12.40
1 -1 -29 23.50 5.70
1 -1 -29 34.40 13.00
-1 -1 29 21.40 13.40
1 -1 -29 11.20 7.70
-1 1 29 4.10 12.10
1 1 -29 13.40 9.80
1 1 -29 19.90 12.10
0 -1 -29 -13.00 7.80
0 1 -29 3.50 8.10
-7 0 30 5.60 19.90
-6 0 30 16.20 15.90
6 0 -30 37.40 11.70
-6 0 30 7.80 10.50
6 0 -30 19.70 5.70
5 0 -30 -5.30 8.50
-5 0 30 -4.90 10.10
5 0 -30 1.60 3.90
5 0 -30 -4.80 6.90
-5 0 30 -8.20 11.10
4 0 -30 242.68 20.10
4 0 -30 339.57 35.00
4 0 -30 221.48 25.40
3 0 -30 1.70 8.00
3 0 -30 1.50 4.80
-3 0 30 4.90 11.80
-3 0 30 -15.90 13.90
3 0 -30 9.00 7.50
2 0 -30 346.37 31.70
2 0 -30 354.66 26.50
2 0 -30 339.97 33.40
0 0 0 0.00 0.00
_computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)'
;
_shelx_hkl_checksum 91793
_shelx_res_file
;
TITL mo_ag_mv_e3_0m_a.res in P2(1)/n
mo_ag_mv_e3_0m.res
created by SHELXL-2018/3 at 11:09:33 on 11-Jul-2024
REM Old TITL mo_AG_MV_E3_0m in P2(1)/n
REM SHELXT solution in P2(1)/n: R1 0.113, Rweak 0.003, Alpha 0.024
REM 0.589 for 317 systematic absences, Orientation as input
REM Formula found by SHELXT: C12 N O3
CELL 0.71073 12.3711 3.8255 21.4175 90 104.195 90
ZERR 2 0.0007 0.0002 0.0012 0 0.002 0
LATT 1
SYMM 0.5-X,0.5+Y,0.5-Z
SFAC C H N O
UNIT 44 36 8 12
L.S. 20
PLAN 5
TEMP -150.15
CONF
BOND
list 4
MORE -1
BOND $H
fmap 2 53
acta
REM
REM
REM
WGHT 0.064800 0.781700
FVAR 0.95394
O3 4 0.364688 0.268077 0.203234 11.00000 0.01946 0.03205 =
0.01936 0.00165 0.00223 -0.00488
O1 4 0.767185 1.026533 0.135428 11.00000 0.02362 0.03781 =
0.03252 0.00436 0.00557 -0.00493
O2 4 0.665536 0.931022 0.039413 11.00000 0.03639 0.05364 =
0.02256 0.00870 0.00939 -0.00134
N1 3 1.075301 0.677847 0.168232 11.00000 0.02336 0.02296 =
0.02033 -0.00147 0.00439 0.00294
N2 3 0.682712 0.907504 0.098526 11.00000 0.02219 0.02750 =
0.02380 0.00480 0.00657 0.00405
C3 1 1.015523 0.539277 0.035003 11.00000 0.01834 0.01692 =
0.01984 -0.00024 0.00436 0.00142
C6 1 0.600887 0.735683 0.125745 11.00000 0.02010 0.02024 =
0.01867 0.00170 0.00523 0.00290
C11 1 0.498484 0.639792 0.086063 11.00000 0.02399 0.02518 =
0.01532 0.00048 0.00180 0.00433
AFIX 43
H11 2 0.482527 0.682639 0.041035 11.00000 -1.20000
AFIX 0
C7 1 0.626010 0.674753 0.191785 11.00000 0.01945 0.02200 =
0.01850 0.00036 -0.00037 -0.00047
AFIX 43
H7 2 0.696365 0.741876 0.218231 11.00000 -1.20000
AFIX 0
C1 1 0.978048 0.528145 0.139532 11.00000 0.02345 0.02451 =
0.02132 -0.00085 0.00765 0.00003
AFIX 43
H1 2 0.928687 0.468694 0.165566 11.00000 -1.20000
AFIX 0
C9 1 0.443616 0.419011 0.179465 11.00000 0.01963 0.02025 =
0.01959 -0.00093 0.00279 0.00145
C8 1 0.547948 0.516201 0.218488 11.00000 0.02323 0.02229 =
0.01590 0.00031 0.00092 -0.00050
AFIX 43
H8 2 0.564758 0.472398 0.263503 11.00000 -1.20000
AFIX 0
C2 1 0.944803 0.454480 0.074487 11.00000 0.02004 0.02538 =
0.02117 -0.00238 0.00444 -0.00297
AFIX 43
H2 2 0.874671 0.347421 0.056842 11.00000 -1.20000
AFIX 0
C10 1 0.420229 0.481394 0.112952 11.00000 0.02004 0.02789 =
0.01746 -0.00154 -0.00104 0.00103
AFIX 43
H10 2 0.350120 0.414291 0.086214 11.00000 -1.20000
AFIX 0
C5 1 1.143242 0.764549 0.130579 11.00000 0.01902 0.02828 =
0.02266 -0.00249 0.00233 0.00021
AFIX 43
H5 2 1.212254 0.874593 0.149718 11.00000 -1.20000
AFIX 0
C4 1 1.116782 0.699915 0.064627 11.00000 0.01825 0.02834 =
0.02239 -0.00108 0.00482 -0.00155
AFIX 43
H4 2 1.167421 0.764784 0.039720 11.00000 -1.20000
AFIX 0
H3 2 0.386043 0.254066 0.244483 11.00000 0.05286
HKLF 4
REM mo_ag_mv_e3_0m_a.res in P2(1)/n
REM wR2 = 0.160965, GooF = S = 1.09797, Restrained GooF = 1.09797 for all data
REM R1 = 0.057373 for 2302 Fo > 4sig(Fo) and 0.076506 for all 2957 data
REM 149 parameters refined using 0 restraints
END
WGHT 0.0677 0.6845
REM Highest difference peak 0.469, deepest hole -0.367, 1-sigma level 0.076
Q1 1 0.6676 0.5949 0.0416 11.00000 0.05 0.47
Q2 1 0.7638 0.5231 0.1379 11.00000 0.05 0.43
Q3 1 1.0193 0.8285 0.0386 11.00000 0.05 0.38
Q4 1 0.4399 0.1063 0.1791 11.00000 0.05 0.37
Q5 1 0.4191 0.0646 0.1202 11.00000 0.05 0.35
;
_shelx_res_checksum 25584
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
O O3 0.36469(10) 0.2681(4) 0.20323(6) 0.0241(3) Uani d 1 . .
O O1 0.76718(11) 1.0265(4) 0.13543(7) 0.0315(3) Uani d 1 . .
O O2 0.66554(13) 0.9310(5) 0.03941(6) 0.0372(4) Uani d 1 . .
N N1 1.07530(12) 0.6778(4) 0.16823(7) 0.0224(3) Uani d 1 . .
N N2 0.68271(12) 0.9075(4) 0.09853(7) 0.0243(3) Uani d 1 . .
C C3 1.01552(13) 0.5393(4) 0.03500(7) 0.0184(3) Uani d 1 . .
C C6 0.60089(14) 0.7357(4) 0.12575(8) 0.0196(3) Uani d 1 . .
C C11 0.49848(14) 0.6398(5) 0.08606(8) 0.0220(3) Uani d 1 . .
H H11 0.482527 0.682639 0.041035 0.026 Uiso calc 1 . .
C C7 0.62601(14) 0.6748(4) 0.19178(8) 0.0209(3) Uani d 1 . .
H H7 0.696365 0.741876 0.218231 0.025 Uiso calc 1 . .
C C1 0.97805(15) 0.5281(5) 0.13953(8) 0.0227(4) Uani d 1 . .
H H1 0.928687 0.468694 0.165566 0.027 Uiso calc 1 . .
C C9 0.44362(14) 0.4190(4) 0.17947(8) 0.0202(3) Uani d 1 . .
C C8 0.54795(14) 0.5162(4) 0.21849(8) 0.0211(3) Uani d 1 . .
H H8 0.564758 0.472398 0.263503 0.025 Uiso calc 1 . .
C C2 0.94480(14) 0.4545(5) 0.07449(8) 0.0223(3) Uani d 1 . .
H H2 0.874671 0.347421 0.056842 0.027 Uiso calc 1 . .
C C10 0.42023(14) 0.4814(5) 0.11295(8) 0.0228(4) Uani d 1 . .
H H10 0.350120 0.414291 0.086214 0.027 Uiso calc 1 . .
C C5 1.14324(14) 0.7645(5) 0.13058(8) 0.0238(4) Uani d 1 . .
H H5 1.212254 0.874593 0.149718 0.029 Uiso calc 1 . .
C C4 1.11678(14) 0.6999(5) 0.06463(8) 0.0230(4) Uani d 1 . .
H H4 1.167421 0.764784 0.039720 0.028 Uiso calc 1 . .
H H3 0.386(2) 0.254(8) 0.2445(15) 0.053(8) Uiso 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
O3 0.0195(6) 0.0320(7) 0.0194(6) -0.0049(5) 0.0022(5) 0.0017(5)
O1 0.0236(6) 0.0378(8) 0.0325(7) -0.0049(6) 0.0056(5) 0.0044(6)
O2 0.0364(8) 0.0536(10) 0.0226(7) -0.0013(7) 0.0094(6) 0.0087(6)
N1 0.0234(7) 0.0230(7) 0.0203(7) 0.0029(6) 0.0044(5) -0.0015(5)
N2 0.0222(7) 0.0275(8) 0.0238(7) 0.0040(6) 0.0066(5) 0.0048(6)
C3 0.0183(7) 0.0169(7) 0.0198(7) 0.0014(6) 0.0044(6) -0.0002(6)
C6 0.0201(7) 0.0202(7) 0.0187(7) 0.0029(6) 0.0052(6) 0.0017(6)
C11 0.0240(8) 0.0252(8) 0.0153(7) 0.0043(7) 0.0018(6) 0.0005(6)
C7 0.0195(7) 0.0220(8) 0.0185(7) -0.0005(6) -0.0004(6) 0.0004(6)
C1 0.0234(8) 0.0245(8) 0.0213(8) 0.0000(6) 0.0077(6) -0.0009(6)
C9 0.0196(7) 0.0202(8) 0.0196(7) 0.0015(6) 0.0028(6) -0.0009(6)
C8 0.0232(8) 0.0223(8) 0.0159(7) -0.0005(6) 0.0009(6) 0.0003(6)
C2 0.0200(8) 0.0254(8) 0.0212(8) -0.0030(6) 0.0044(6) -0.0024(6)
C10 0.0200(8) 0.0279(9) 0.0175(7) 0.0010(6) -0.0010(6) -0.0015(6)
C5 0.0190(8) 0.0283(9) 0.0227(8) 0.0002(6) 0.0023(6) -0.0025(7)
C4 0.0182(7) 0.0283(9) 0.0224(8) -0.0015(6) 0.0048(6) -0.0011(7)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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
C9 O3 H3 . . 110.4(19) ?
C1 N1 C5 . . 117.07(15) ?
O1 N2 O2 . . 122.44(16) ?
O1 N2 C6 . . 118.51(14) ?
O2 N2 C6 . . 119.06(15) ?
C2 C3 C3 . 3_765 121.30(18) ?
C2 C3 C4 . . 116.84(15) ?
C4 C3 C3 . 3_765 121.86(18) ?
C11 C6 N2 . . 119.80(15) ?
C11 C6 C7 . . 121.33(15) ?
C7 C6 N2 . . 118.86(15) ?
C6 C11 H11 . . 120.4 ?
C10 C11 C6 . . 119.16(15) ?
C10 C11 H11 . . 120.4 ?
C6 C7 H7 . . 120.3 ?
C8 C7 C6 . . 119.41(15) ?
C8 C7 H7 . . 120.3 ?
N1 C1 H1 . . 117.9 ?
N1 C1 C2 . . 124.22(16) ?
C2 C1 H1 . . 117.9 ?
O3 C9 C8 . . 122.52(15) ?
O3 C9 C10 . . 118.15(15) ?
C10 C9 C8 . . 119.32(15) ?
C7 C8 C9 . . 120.32(15) ?
C7 C8 H8 . . 119.8 ?
C9 C8 H8 . . 119.8 ?
C3 C2 H2 . . 120.4 ?
C1 C2 C3 . . 119.19(16) ?
C1 C2 H2 . . 120.4 ?
C11 C10 C9 . . 120.44(15) ?
C11 C10 H10 . . 119.8 ?
C9 C10 H10 . . 119.8 ?
N1 C5 H5 . . 118.7 ?
N1 C5 C4 . . 122.70(16) ?
C4 C5 H5 . . 118.7 ?
C3 C4 H4 . . 120.0 ?
C5 C4 C3 . . 119.98(16) ?
C5 C4 H4 . . 120.0 ?
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
O3 C9 . 1.338(2) ?
O3 H3 . 0.86(3) ?
O1 N2 . 1.232(2) ?
O2 N2 . 1.2346(19) ?
N1 C1 . 1.338(2) ?
N1 C5 . 1.341(2) ?
N2 C6 . 1.444(2) ?
C3 C3 3_765 1.484(3) ?
C3 C2 . 1.396(2) ?
C3 C4 . 1.400(2) ?
C6 C11 . 1.391(2) ?
C6 C7 . 1.391(2) ?
C11 H11 . 0.9500 ?
C11 C10 . 1.382(2) ?
C7 H7 . 0.9500 ?
C7 C8 . 1.378(2) ?
C1 H1 . 0.9500 ?
C1 C2 . 1.381(2) ?
C9 C8 . 1.405(2) ?
C9 C10 . 1.403(2) ?
C8 H8 . 0.9500 ?
C2 H2 . 0.9500 ?
C10 H10 . 0.9500 ?
C5 H5 . 0.9500 ?
C5 C4 . 1.392(2) ?
C4 H4 . 0.9500 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O3 H3 N1 2_645 0.86(3) 1.84(3) 2.6921(19) 174(3)
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
O3 C9 C8 C7 . . . . -179.23(16) ?
O3 C9 C10 C11 . . . . 179.35(16) ?
O1 N2 C6 C11 . . . . 171.57(16) ?
O1 N2 C6 C7 . . . . -7.4(2) ?
O2 N2 C6 C11 . . . . -8.2(2) ?
O2 N2 C6 C7 . . . . 172.86(16) ?
N1 C1 C2 C3 . . . . -0.1(3) ?
N1 C5 C4 C3 . . . . 0.2(3) ?
N2 C6 C11 C10 . . . . -178.82(16) ?
N2 C6 C7 C8 . . . . 178.95(15) ?
C3 C3 C2 C1 3_765 . . . 179.06(19) ?
C3 C3 C4 C5 3_765 . . . -179.13(19) ?
C6 C11 C10 C9 . . . . 0.2(3) ?
C6 C7 C8 C9 . . . . -0.4(3) ?
C11 C6 C7 C8 . . . . 0.0(3) ?
C7 C6 C11 C10 . . . . 0.1(3) ?
C1 N1 C5 C4 . . . . -1.0(3) ?
C8 C9 C10 C11 . . . . -0.6(3) ?
C2 C3 C4 C5 . . . . 0.6(3) ?
C10 C9 C8 C7 . . . . 0.7(3) ?
C5 N1 C1 C2 . . . . 0.9(3) ?
C4 C3 C2 C1 . . . . -0.7(2) ?