#------------------------------------------------------------------------------ #$Date: 2024-02-01 04:03:17 +0100 (Thu, 01 Feb 2024) $ #$Revision: 289254 $ #$URL: svn://www.crystallography.net/cod/cif/2/02/30/2023017.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_2023017 loop_ _publ_author_name 'Yang, Ke' 'Yang, Yuting' 'Yao, Ziqin' 'Cheng, Sisi' 'Cui, Xue' 'Wang, Xingyi' 'Han, Yi' 'Yi, Feiyan' 'Mo, Guang' _publ_section_title ; High-pressure study of a 3d--4f heterometallic CuEu--organic skeleton ; _journal_coeditor_code OC3022 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C Structural Chemistry' _journal_page_first 49 _journal_page_last 55 _journal_paper_doi 10.1107/S205322962400010X _journal_volume 80 _journal_year 2024 _chemical_formula_sum 'C66 H44 Cu3 Eu2 N18 O31' _chemical_formula_weight 2079.73 _space_group_IT_number 167 _space_group_name_Hall '-R 3 2"c' _space_group_name_H-M_alt 'R -3 c :H' _symmetry_cell_setting trigonal _symmetry_space_group_name_H-M 'R -3 c :H' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_formula_units_Z 6 _cell_length_a 14.0021(3) _cell_length_b 14.0021(3) _cell_length_c 63.523(3) _cell_measurement_reflns_used 4858 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 26.05 _cell_measurement_theta_min 2.91 _cell_volume 10785.7(6) _computing_cell_refinement 'Bruker SMART' _computing_data_collection 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement ; SHELXL97 ; _computing_structure_solution ; SHELXS97 ; _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 0.994 _diffrn_measured_fraction_theta_max 0.994 _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0472 _diffrn_reflns_av_sigmaI/netI 0.0231 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 65 _diffrn_reflns_limit_l_min -78 _diffrn_reflns_number 21300 _diffrn_reflns_theta_full 26.07 _diffrn_reflns_theta_max 26.07 _diffrn_reflns_theta_min 1.92 _exptl_absorpt_coefficient_mu 2.697 _exptl_absorpt_correction_T_max 0.7453 _exptl_absorpt_correction_T_min 0.6592 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; Sheldrick, G. M.. SADABS ; _exptl_crystal_colour blue _exptl_crystal_density_diffrn 1.921 _exptl_crystal_density_method 'not measured' _exptl_crystal_description brick _exptl_crystal_F_000 6162 _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.23 _exptl_crystal_size_min 0.20 _refine_diff_density_max 2.149 _refine_diff_density_min -0.591 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.075 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 180 _refine_ls_number_reflns 2373 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.075 _refine_ls_R_factor_all 0.0377 _refine_ls_R_factor_gt 0.0296 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0569P)^2^+20.0828P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0856 _refine_ls_wR_factor_ref 0.0912 _reflns_number_gt 2002 _reflns_number_total 2373 _reflns_threshold_expression >2sigma(I) _iucr_refine_instructions_details ; TITL Eu2Cu3(PyPhCOO)6(NO3)6.H2O in R-3c CELL 0.71073 14.0021 14.0021 63.5230 90.000 90.000 120.000 ZERR 6.00 0.0003 0.0003 0.0025 0.000 0.000 0.000 LATT 3 SYMM -Y, X-Y, Z SYMM -X+Y, -X, Z SYMM Y, X, 0.5-Z SYMM X-Y, -Y, 0.5-Z SYMM -X, -X+Y, 0.5-Z SFAC C H N O Cu Eu UNIT 396 264 108 186 18 12 L.S. 6 BOND $h ACTA EQIV $1 -1/3+x-y, -2/3+x, 1/3-z BIND Cu1 O3_$1 EQIV $2 7/3-x+y, 2/3+y, 1/6+z BIND Cu1 O3_$2 OMIT -1 1 10 OMIT -1 1 16 OMIT 0 2 10 OMIT -1 2 24 OMIT 0 0 30 OMIT 0 0 12 OMIT 0 1 2 OMIT -3 3 6 OMIT 0 1 20 OMIT -1 1 22 OMIT -2 3 16 OMIT -1 2 0 OMIT -2 3 10 FMAP 2 PLAN 10 TEMP 23.000 WGHT 0.056900 20.082800 FVAR 0.01800 EU1 6 1.000000 0.000000 0.075327 10.33333 0.02541 0.02541 = 0.01072 0.00000 0.00000 0.01271 CU1 5 1.000000 0.376277 0.250000 10.50000 0.03185 0.02536 = 0.00884 -0.00049 -0.00097 0.01592 N1 3 0.944970 0.245976 0.229935 11.00000 0.03151 0.02565 = 0.01426 0.00078 0.00325 0.01359 N2 3 0.851757 0.052727 0.224844 11.00000 0.07278 0.02614 = 0.02119 0.00379 0.01042 0.00938 N3 3 0.874517 -0.208416 0.052550 11.00000 0.03187 0.03282 = 0.03385 -0.00667 0.00103 0.01411 C1 1 1.097123 0.227019 0.110082 11.00000 0.03022 0.02730 = 0.01273 -0.00061 -0.00003 0.01853 C2 1 1.051403 0.219142 0.131573 11.00000 0.02905 0.02876 = 0.01340 -0.00120 0.00006 0.01813 C3 1 0.958431 0.122889 0.137940 11.00000 0.03052 0.03108 = 0.01627 -0.00814 -0.00010 0.00944 AFIX 43 H3A 2 0.919695 0.067008 0.128199 11.00000 -1.20000 AFIX 0 C4 1 0.922434 0.108776 0.158595 11.00000 0.02986 0.02631 = 0.01973 -0.00196 0.00453 0.00477 AFIX 43 H4A 2 0.860358 0.043189 0.162585 11.00000 -1.20000 AFIX 0 C5 1 0.977391 0.190687 0.173345 11.00000 0.03233 0.02674 = 0.01236 -0.00139 0.00433 0.01676 C6 1 1.069052 0.288230 0.166932 11.00000 0.04834 0.02651 = 0.01640 -0.00630 0.00506 0.00877 AFIX 43 H6A 2 1.106225 0.344783 0.176625 11.00000 -1.20000 AFIX 0 C7 1 1.106153 0.302727 0.146263 11.00000 0.04070 0.02315 = 0.01694 -0.00268 0.00603 0.00769 AFIX 43 H7A 2 1.167829 0.368579 0.142244 11.00000 -1.20000 AFIX 0 C8 1 0.943177 0.174013 0.195813 11.00000 0.03325 0.02745 = 0.01426 0.00219 0.00448 0.01549 C9 1 0.880872 0.070418 0.204663 11.00000 0.06610 0.02387 = 0.02196 -0.00402 0.00380 0.01383 AFIX 43 H9A 2 0.857930 0.009372 0.195960 11.00000 -1.20000 AFIX 0 C10 1 0.884584 0.141342 0.236626 11.00000 0.04895 0.02751 = 0.02020 0.00386 0.00944 0.01140 AFIX 43 H10A 2 0.864209 0.130435 0.250739 11.00000 -1.20000 AFIX 0 C11 1 0.972272 0.260488 0.209595 11.00000 0.02950 0.02557 = 0.01583 0.00148 0.00347 0.01176 AFIX 43 H11A 2 1.012748 0.332121 0.204467 11.00000 -1.20000 AFIX 0 O1 4 1.046664 0.146810 0.097794 11.00000 0.04705 0.03819 = 0.02009 -0.01031 0.00285 0.01547 O2 4 1.187496 0.312401 0.105832 11.00000 0.02802 0.03349 = 0.01461 -0.00062 0.00315 0.01415 O3 4 0.937067 -0.199535 0.067951 11.00000 0.03887 0.03382 = 0.03381 -0.00008 -0.00633 0.01936 O4 4 0.874061 -0.120800 0.047566 11.00000 0.04571 0.03757 = 0.03449 -0.00737 -0.01436 0.02299 O5 4 0.819602 -0.294940 0.043481 11.00000 0.05873 0.04123 = 0.07686 -0.02955 -0.02641 0.01878 HKLF 4 REM Eu2Cu3(PyPhCOO)6(NO3)6.H2O in R-3c REM R1 = 0.0296 for 2002 Fo > 4sig(Fo) and 0.0377 for all 2373 data REM 180 parameters refined using 0 restraints END WGHT 0.0563 25.1038 REM Highest difference peak 2.149, deepest hole -0.591, 1-sigma level 0.129 Q1 1 0.9535 -0.0345 -0.0002 11.00000 0.05 2.15 Q2 1 1.2173 0.5613 0.1686 11.00000 0.05 0.76 Q3 1 1.0757 0.2674 0.1369 11.00000 0.05 0.40 Q4 1 0.9706 0.1093 0.1495 11.00000 0.05 0.38 Q5 1 0.9661 0.1358 0.1666 11.00000 0.05 0.36 Q6 1 0.9358 0.1264 0.1505 11.00000 0.05 0.36 Q7 1 1.0347 0.2208 0.1718 11.00000 0.05 0.35 Q8 1 1.0000 0.0000 0.1518 10.33333 0.05 0.35 Q9 1 1.0964 0.2918 0.1581 11.00000 0.05 0.34 Q10 1 0.9634 0.1812 0.1847 11.00000 0.05 0.32 ; _cod_data_source_file oc3022sup1.cif _cod_data_source_block I _cod_original_cell_volume 10785.7(5) _cod_original_sg_symbol_H-M R-3c _cod_database_code 2023017 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'y, x, -z+1/2' 'x-y, -y, -z+1/2' '-x, -x+y, -z+1/2' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'y+2/3, x+1/3, -z+5/6' 'x-y+2/3, -y+1/3, -z+5/6' '-x+2/3, -x+y+1/3, -z+5/6' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' 'y+1/3, x+2/3, -z+7/6' 'x-y+1/3, -y+2/3, -z+7/6' '-x+1/3, -x+y+2/3, -z+7/6' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-y, -x, z-1/2' '-x+y, y, z-1/2' 'x, x-y, z-1/2' '-x+2/3, -y+1/3, -z+1/3' 'y+2/3, -x+y+1/3, -z+1/3' 'x-y+2/3, x+1/3, -z+1/3' '-y+2/3, -x+1/3, z-1/6' '-x+y+2/3, y+1/3, z-1/6' 'x+2/3, x-y+1/3, z-1/6' '-x+1/3, -y+2/3, -z+2/3' 'y+1/3, -x+y+2/3, -z+2/3' 'x-y+1/3, x+2/3, -z+2/3' '-y+1/3, -x+2/3, z+1/6' '-x+y+1/3, y+2/3, z+1/6' 'x+1/3, x-y+2/3, z+1/6' 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_refinement_flags _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_disorder_assembly _atom_site_disorder_group Eu Eu1 1.0000 0.0000 0.075327(4) 0.02052(13) Uani d S 1 3 . . Cu Cu1 1.0000 0.37628(4) 0.2500 0.02130(17) Uani d S 1 2 . . N N1 0.9450(2) 0.2460(2) 0.22993(4) 0.0241(6) Uani d . 1 1 . . N N2 0.8518(3) 0.0527(3) 0.22484(5) 0.0469(10) Uani d . 1 1 . . N N3 0.8745(3) -0.2084(3) 0.05255(6) 0.0338(8) Uani d . 1 1 . . C C1 1.0971(3) 0.2270(3) 0.11008(5) 0.0216(7) Uani d . 1 1 . . C C2 1.0514(3) 0.2191(3) 0.13157(5) 0.0221(7) Uani d . 1 1 . . C C3 0.9584(3) 0.1229(3) 0.13794(5) 0.0286(8) Uani d . 1 1 . . H H3A 0.9197 0.0670 0.1282 0.034 Uiso calc R 1 1 . . C C4 0.9224(3) 0.1088(3) 0.15859(6) 0.0294(8) Uani d . 1 1 . . H H4A 0.8604 0.0432 0.1626 0.035 Uiso calc R 1 1 . . C C5 0.9774(3) 0.1907(3) 0.17335(5) 0.0229(7) Uani d . 1 1 . . C C6 1.0691(3) 0.2882(3) 0.16693(6) 0.0348(9) Uani d . 1 1 . . H H6A 1.1062 0.3448 0.1766 0.042 Uiso calc R 1 1 . . C C7 1.1062(3) 0.3027(3) 0.14626(5) 0.0306(8) Uani d . 1 1 . . H H7A 1.1678 0.3686 0.1422 0.037 Uiso calc R 1 1 . . C C8 0.9432(3) 0.1740(3) 0.19581(5) 0.0248(7) Uani d . 1 1 . . C C9 0.8809(4) 0.0704(3) 0.20466(6) 0.0412(11) Uani d . 1 1 . . H H9A 0.8579 0.0094 0.1960 0.049 Uiso calc R 1 1 . . C C10 0.8846(4) 0.1413(3) 0.23663(6) 0.0357(10) Uani d . 1 1 . . H H10A 0.8642 0.1304 0.2507 0.043 Uiso calc R 1 1 . . C C11 0.9723(3) 0.2605(3) 0.20960(5) 0.0245(7) Uani d . 1 1 . . H H11A 1.0127 0.3321 0.2045 0.029 Uiso calc R 1 1 . . O O1 1.0467(2) 0.1468(2) 0.09779(4) 0.0377(7) Uani d . 1 1 . . O O2 1.1875(2) 0.3124(2) 0.10583(4) 0.0259(5) Uani d . 1 1 . . O O3 0.9371(2) -0.1995(2) 0.06795(4) 0.0350(6) Uani d . 1 1 . . O O4 0.8741(2) -0.1208(2) 0.04757(4) 0.0383(7) Uani d . 1 1 . . O O5 0.8196(3) -0.2949(3) 0.04348(6) 0.0617(10) Uani d . 1 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 Eu1 0.02541(15) 0.02541(15) 0.01072(18) 0.01271(8) 0.000 0.000 Cu1 0.0318(3) 0.0254(2) 0.0088(3) 0.01592(17) -0.0010(2) -0.00049(11) N1 0.0315(16) 0.0256(15) 0.0143(13) 0.0136(13) 0.0033(12) 0.0008(11) N2 0.073(3) 0.0261(18) 0.0212(16) 0.0094(19) 0.0104(17) 0.0038(14) N3 0.0319(17) 0.033(2) 0.0339(19) 0.0141(16) 0.0010(15) -0.0067(15) C1 0.0302(19) 0.0273(19) 0.0127(16) 0.0185(16) 0.0000(14) -0.0006(14) C2 0.0290(18) 0.0288(18) 0.0134(15) 0.0181(16) 0.0001(13) -0.0012(13) C3 0.031(2) 0.031(2) 0.0163(17) 0.0094(16) -0.0001(14) -0.0081(15) C4 0.0299(19) 0.0263(18) 0.0197(18) 0.0048(16) 0.0045(15) -0.0020(14) C5 0.0323(19) 0.0267(18) 0.0124(16) 0.0168(15) 0.0043(13) -0.0014(13) C6 0.048(2) 0.0265(19) 0.0164(17) 0.0088(18) 0.0051(16) -0.0063(15) C7 0.041(2) 0.0232(19) 0.0169(17) 0.0077(17) 0.0060(15) -0.0027(14) C8 0.0332(19) 0.0274(19) 0.0143(16) 0.0155(16) 0.0045(14) 0.0022(13) C9 0.066(3) 0.024(2) 0.0220(19) 0.014(2) 0.004(2) -0.0040(16) C10 0.049(2) 0.028(2) 0.0202(19) 0.0114(19) 0.0094(17) 0.0039(15) C11 0.0295(19) 0.0256(18) 0.0158(16) 0.0118(16) 0.0035(14) 0.0015(14) O1 0.0471(17) 0.0382(17) 0.0201(14) 0.0155(14) 0.0028(12) -0.0103(12) O2 0.0280(13) 0.0335(14) 0.0146(12) 0.0141(12) 0.0031(10) -0.0006(10) O3 0.0389(16) 0.0338(15) 0.0338(15) 0.0194(13) -0.0063(13) -0.0001(12) O4 0.0457(17) 0.0376(16) 0.0345(15) 0.0230(14) -0.0144(13) -0.0074(12) O5 0.059(2) 0.041(2) 0.077(3) 0.0188(18) -0.026(2) -0.0295(18) 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' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Eu Eu -0.1578 3.6682 '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 Eu1 O1 3_765 2_645 85.90(11) ? O1 Eu1 O1 3_765 . 85.90(11) ? O1 Eu1 O1 2_645 . 85.90(11) ? O1 Eu1 O4 3_765 3_765 146.86(10) ? O1 Eu1 O4 2_645 3_765 124.99(9) ? O1 Eu1 O4 . 3_765 84.92(10) ? O1 Eu1 O4 3_765 2_645 84.92(10) ? O1 Eu1 O4 2_645 2_645 146.86(10) ? O1 Eu1 O4 . 2_645 124.99(9) ? O4 Eu1 O4 3_765 2_645 74.64(11) ? O1 Eu1 O4 3_765 . 125.00(9) ? O1 Eu1 O4 2_645 . 84.92(11) ? O1 Eu1 O4 . . 146.86(10) ? O4 Eu1 O4 3_765 . 74.64(11) ? O4 Eu1 O4 2_645 . 74.64(11) ? O1 Eu1 O3 3_765 . 74.13(9) ? O1 Eu1 O3 2_645 . 74.35(10) ? O1 Eu1 O3 . . 152.61(10) ? O4 Eu1 O3 3_765 . 121.91(10) ? O4 Eu1 O3 2_645 . 72.51(9) ? O4 Eu1 O3 . . 51.18(9) ? O1 Eu1 O3 3_765 2_645 74.35(10) ? O1 Eu1 O3 2_645 2_645 152.62(10) ? O1 Eu1 O3 . 2_645 74.13(9) ? O4 Eu1 O3 3_765 2_645 72.51(9) ? O4 Eu1 O3 2_645 2_645 51.18(9) ? O4 Eu1 O3 . 2_645 121.90(10) ? O3 Eu1 O3 . 2_645 116.62(4) ? O1 Eu1 O3 3_765 3_765 152.62(10) ? O1 Eu1 O3 2_645 3_765 74.13(9) ? O1 Eu1 O3 . 3_765 74.35(10) ? O4 Eu1 O3 3_765 3_765 51.18(9) ? O4 Eu1 O3 2_645 3_765 121.91(10) ? O4 Eu1 O3 . 3_765 72.51(9) ? O3 Eu1 O3 . 3_765 116.62(4) ? O3 Eu1 O3 2_645 3_765 116.61(4) ? O1 Eu1 N3 3_765 3_765 162.42(10) ? O1 Eu1 N3 2_645 3_765 99.78(10) ? O1 Eu1 N3 . 3_765 78.00(11) ? O4 Eu1 N3 3_765 3_765 25.45(9) ? O4 Eu1 N3 2_645 3_765 98.49(10) ? O4 Eu1 N3 . 3_765 72.33(9) ? O3 Eu1 N3 . 3_765 123.38(9) ? O3 Eu1 N3 2_645 3_765 94.27(10) ? O3 Eu1 N3 3_765 3_765 25.74(9) ? O1 Eu1 N3 3_765 . 99.78(10) ? O1 Eu1 N3 2_645 . 78.00(11) ? O1 Eu1 N3 . . 162.42(10) ? O4 Eu1 N3 3_765 . 98.49(10) ? O4 Eu1 N3 2_645 . 72.33(9) ? O4 Eu1 N3 . . 25.45(9) ? O3 Eu1 N3 . . 25.74(9) ? O3 Eu1 N3 2_645 . 123.38(9) ? O3 Eu1 N3 3_765 . 94.27(10) ? N3 Eu1 N3 3_765 . 97.68(9) ? O1 Eu1 N3 3_765 2_645 77.99(11) ? O1 Eu1 N3 2_645 2_645 162.42(10) ? O1 Eu1 N3 . 2_645 99.78(10) ? O4 Eu1 N3 3_765 2_645 72.33(9) ? O4 Eu1 N3 2_645 2_645 25.45(9) ? O4 Eu1 N3 . 2_645 98.49(10) ? O3 Eu1 N3 . 2_645 94.28(10) ? O3 Eu1 N3 2_645 2_645 25.74(9) ? O3 Eu1 N3 3_765 2_645 123.38(9) ? N3 Eu1 N3 3_765 2_645 97.68(9) ? N3 Eu1 N3 . 2_645 97.68(9) ? O2 Cu1 O2 34_665 26_565 96.56(15) ? O2 Cu1 N1 34_665 . 166.84(11) ? O2 Cu1 N1 26_565 . 88.14(11) ? O2 Cu1 N1 34_665 6_765 88.14(11) ? O2 Cu1 N1 26_565 6_765 166.84(11) ? N1 Cu1 N1 . 6_765 89.98(16) ? O2 Cu1 O3 34_665 35_755 100.65(10) ? O2 Cu1 O3 26_565 35_755 82.50(10) ? N1 Cu1 O3 . 35_755 92.13(10) ? N1 Cu1 O3 6_765 35_755 84.56(10) ? O2 Cu1 O3 34_665 27_445 82.50(10) ? O2 Cu1 O3 26_565 27_445 100.65(10) ? N1 Cu1 O3 . 27_445 84.56(10) ? N1 Cu1 O3 6_765 27_445 92.13(10) ? O3 Cu1 O3 35_755 27_445 175.33(13) ? C11 N1 C10 . . 116.7(3) ? C11 N1 Cu1 . . 121.3(2) ? C10 N1 Cu1 . . 122.0(2) ? C10 N2 C9 . . 116.2(3) ? O5 N3 O4 . . 122.8(4) ? O5 N3 O3 . . 121.6(4) ? O4 N3 O3 . . 115.6(3) ? O5 N3 Eu1 . . 177.8(3) ? O4 N3 Eu1 . . 56.68(17) ? O3 N3 Eu1 . . 58.92(18) ? O1 C1 O2 . . 124.3(3) ? O1 C1 C2 . . 118.4(3) ? O2 C1 C2 . . 117.2(3) ? C3 C2 C7 . . 118.5(3) ? C3 C2 C1 . . 120.0(3) ? C7 C2 C1 . . 121.2(3) ? C4 C3 C2 . . 120.9(3) ? C4 C3 H3A . . 119.5 ? C2 C3 H3A . . 119.5 ? C5 C4 C3 . . 120.9(3) ? C5 C4 H4A . . 119.6 ? C3 C4 H4A . . 119.6 ? C4 C5 C6 . . 118.4(3) ? C4 C5 C8 . . 121.3(3) ? C6 C5 C8 . . 120.2(3) ? C5 C6 C7 . . 121.0(3) ? C5 C6 H6A . . 119.5 ? C7 C6 H6A . . 119.5 ? C6 C7 C2 . . 120.2(3) ? C6 C7 H7A . . 119.9 ? C2 C7 H7A . . 119.9 ? C11 C8 C9 . . 114.6(3) ? C11 C8 C5 . . 122.7(3) ? C9 C8 C5 . . 122.6(3) ? N2 C9 C8 . . 124.1(4) ? N2 C9 H9A . . 118.0 ? C8 C9 H9A . . 118.0 ? N2 C10 N1 . . 125.4(4) ? N2 C10 H10A . . 117.3 ? N1 C10 H10A . . 117.3 ? N1 C11 C8 . . 123.0(3) ? N1 C11 H11A . . 118.5 ? C8 C11 H11A . . 118.5 ? C1 O1 Eu1 . . 164.0(3) ? C1 O2 Cu1 . 27_545 128.1(2) ? N3 O3 Eu1 . . 95.3(2) ? N3 O4 Eu1 . . 97.9(2) ? 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 Eu1 O1 3_765 2.312(3) ? Eu1 O1 2_645 2.312(3) ? Eu1 O1 . 2.312(3) ? Eu1 O4 3_765 2.469(3) ? Eu1 O4 2_645 2.469(3) ? Eu1 O4 . 2.469(3) ? Eu1 O3 . 2.518(3) ? Eu1 O3 2_645 2.518(3) ? Eu1 O3 3_765 2.518(3) ? Eu1 N3 3_765 2.927(3) ? Eu1 N3 . 2.927(3) ? Eu1 N3 2_645 2.927(3) ? Cu1 O2 34_665 1.945(2) ? Cu1 O2 26_565 1.945(2) ? Cu1 N1 . 2.035(3) ? Cu1 N1 6_765 2.035(3) ? Cu1 O3 35_755 2.580(3) ? Cu1 O3 27_445 2.580(3) ? N1 C11 . 1.334(4) ? N1 C10 . 1.343(5) ? N2 C10 . 1.319(5) ? N2 C9 . 1.330(5) ? N3 O5 . 1.208(4) ? N3 O4 . 1.270(4) ? N3 O3 . 1.277(4) ? C1 O1 . 1.256(4) ? C1 O2 . 1.261(5) ? C1 C2 . 1.488(5) ? C2 C3 . 1.386(5) ? C2 C7 . 1.390(5) ? C3 C4 . 1.384(5) ? C3 H3A . 0.9300 ? C4 C5 . 1.380(5) ? C4 H4A . 0.9300 ? C5 C6 . 1.388(5) ? C5 C8 . 1.486(4) ? C6 C7 . 1.389(5) ? C6 H6A . 0.9300 ? C7 H7A . 0.9300 ? C8 C11 . 1.380(5) ? C8 C9 . 1.384(5) ? C9 H9A . 0.9300 ? C10 H10A . 0.9300 ? C11 H11A . 0.9300 ? O2 Cu1 27_545 1.945(2) ?