#------------------------------------------------------------------------------ #$Date: 2026-06-05 20:05:51 +0100 (Fri, 05 Jun 2026) $ #$Revision: 306409 $ #$URL: svn://www.crystallography.net/cod/cif/7/72/10/7721011.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7721011 loop_ _publ_author_name 'Guo, Shangwei' 'Yang, Wenxuan' 'Feng, Shuode' 'Dou, Jinwen' 'Lin, Tiying' 'Zheng, Yining' 'Jiang, Yaxin' 'Yang, Junpu' 'Liu, Wei' 'Lin, Jian' _publ_section_title ; A europium-based metal-organic framework as a high-performance X-ray scintillator. ; _journal_issue 20 _journal_name_full 'Dalton transactions (Cambridge, England : 2003)' _journal_page_first 7835 _journal_page_last 7839 _journal_paper_doi 10.1039/d6dt00878j _journal_volume 55 _journal_year 2026 _chemical_formula_sum 'C19.5 H10.5 Eu1.5 O9.5' _chemical_formula_weight 624.72 _space_group_crystal_system trigonal _space_group_IT_number 147 _space_group_name_Hall '-P 3' _space_group_name_H-M_alt 'P -3' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2019/3 _audit_update_record ; 2026-04-03 deposited with the CCDC. 2026-05-08 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 4 _cell_length_a 10.5876(4) _cell_length_b 10.5876(4) _cell_length_c 24.7779(15) _cell_measurement_reflns_used 4342 _cell_measurement_temperature 298(2) _cell_measurement_theta_max 29.135 _cell_measurement_theta_min 2.368 _cell_volume 2405.42(19) _computing_structure_refinement 'SHELXL-2019/2 (Sheldrick, 2019)' _diffrn_ambient_temperature 298(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.998 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.1547 _diffrn_reflns_av_unetI/netI 0.0834 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.998 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 33 _diffrn_reflns_limit_l_min -33 _diffrn_reflns_number 30654 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.998 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 29.135 _diffrn_reflns_theta_min 2.368 _exptl_absorpt_coefficient_mu 3.931 _exptl_crystal_density_diffrn 1.725 _exptl_crystal_description hexagonal _exptl_crystal_F_000 1192 _exptl_crystal_size_max 0.220 _exptl_crystal_size_mid 0.120 _exptl_crystal_size_min 0.100 _refine_diff_density_max 2.514 _refine_diff_density_min -2.456 _refine_diff_density_rms 0.304 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.108 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 185 _refine_ls_number_reflns 4342 _refine_ls_number_restraints 329 _refine_ls_restrained_S_all 1.084 _refine_ls_R_factor_all 0.1106 _refine_ls_R_factor_gt 0.0782 _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^)+(0.0854P)^2^+32.1701P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1993 _refine_ls_wR_factor_ref 0.2149 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3249 _reflns_number_total 4342 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d6dt00878j2.cif _cod_data_source_block Eu-ndc _cod_depositor_comments 'Adding full bibliography for 7721011.cif.' _cod_original_cell_volume 2405.4(2) _cod_original_formula_sum 'C19.50 H10.50 Eu1.50 O9.50' _cod_database_code 7721011 _shelx_shelxl_version_number 2019/3 _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 0.478 _shelx_estimated_absorpt_t_max 0.695 _shelx_res_file ; TITL Eu-ndc in P-3 Eu-ndc.res created by SHELXL-2019/3 at 21:46:26 on 30-Mar-2026 CELL 0.71073 10.5876 10.5876 24.7779 90.000 90.000 120.000 ZERR 4.000 0.0004 0.0004 0.0015 0.000 0.000 0.000 LATT 1 SYMM -Y, X-Y, Z SYMM -X+Y, -X, Z SFAC C H EU O UNIT 78 42 6 38 LIST 8 ACTA TWIN -1 0 0 0 -1 0 0 0 1 TEMP 24.9 SIZE 0.10 0.12 0.22 L.S. 10 EQIV $1 1-x, 2-y, 2-z EQIV $2 1-x, 2-y, 1-z BOND RIGU SIMU 0.01 OMIT 0 1 0 ISOR 0.01 O5 O6 C13 SADI 0.01 C13 O5 C13 O6 SADI 0.01 C1 O1 C1 O2 SADI 0.01 C1 C3 C1 C6 FLAT 0.01 C1 > C6 FLAT 0.01 C7 > C12 FMAP 2 PLAN 20 sadi 0.01 c2 c3 c3 c4 c5 c6 C5 C4_$1 C4 C4_$1 C11 C10_$2 C10 C10_$2 sadi 0.01 c2 c4 c3 c6 c2 c5 c4 c5 WGHT 0.085400 32.170097 BASF 0.50027 FVAR 0.08799 C1 1 0.514773 1.085862 0.842763 11.00000 0.07259 0.06971 = 0.03724 0.01295 0.00786 0.02506 C2 1 0.516060 1.038246 0.899794 11.00000 0.06696 0.07412 = 0.03826 0.01134 0.00846 0.03031 C3 1 0.474288 1.096222 0.941853 11.00000 0.07321 0.06379 = 0.04488 0.00813 0.00971 0.02656 AFIX 43 H3 2 0.445335 1.164433 0.935101 11.00000 -1.20000 AFIX 0 C4 1 0.476615 1.049861 0.994765 11.00000 0.07272 0.05673 = 0.04407 0.00228 0.00819 0.02633 C5 1 0.561492 0.890530 0.962349 11.00000 0.07616 0.09432 = 0.05343 0.01431 0.00696 0.05405 AFIX 43 H5 2 0.588371 0.820606 0.968749 11.00000 -1.20000 AFIX 0 C6 1 0.559034 0.936389 0.909881 11.00000 0.07347 0.08757 = 0.04650 0.01303 0.01345 0.04401 AFIX 43 H6 2 0.586488 0.898327 0.881318 11.00000 -1.20000 AFIX 0 O1 4 0.563546 1.038789 0.807042 11.00000 0.07741 0.06211 = 0.03492 0.00680 0.00662 0.01896 O2 4 0.448336 1.153170 0.832447 11.00000 0.08229 0.07374 = 0.04623 0.01594 0.01088 0.02948 SAME 0.005 C1 > O2 C7 1 0.477598 1.103294 0.653391 11.00000 0.06138 0.05711 = 0.02980 -0.00595 0.00005 0.03277 C8 1 0.492483 1.048539 0.599182 11.00000 0.05070 0.05881 = 0.02724 -0.00513 0.00339 0.02616 C9 1 0.467415 1.105890 0.552662 11.00000 0.05342 0.05319 = 0.03259 -0.00691 -0.00176 0.02612 AFIX 43 H9 2 0.441532 1.177697 0.555037 11.00000 -1.20000 AFIX 0 C10 1 0.481453 1.054611 0.501981 11.00000 0.04543 0.05445 = 0.03094 -0.00781 -0.00497 0.03000 C11 1 0.544942 0.890317 0.545455 11.00000 0.07073 0.05927 = 0.03761 0.00674 0.00120 0.04082 AFIX 43 H11 2 0.571951 0.819286 0.543441 11.00000 -1.20000 AFIX 0 C12 1 0.530941 0.941396 0.595593 11.00000 0.06228 0.06222 = 0.03583 0.00261 0.00132 0.03278 AFIX 43 H12 2 0.547498 0.903388 0.626899 11.00000 -1.20000 AFIX 0 O3 4 0.530976 1.077906 0.693966 11.00000 0.06415 0.06253 = 0.02618 -0.00944 -0.00775 0.02841 O4 4 0.422649 1.184384 0.655250 11.00000 0.08131 0.05770 = 0.04445 -0.00763 0.00330 0.04348 C13 1 0.742125 0.868640 0.761336 11.00000 0.11553 0.07016 = 0.10578 0.00437 -0.00405 0.06435 AFIX 43 H13 2 0.745583 0.888635 0.798026 11.00000 -1.20000 AFIX 0 EU1 3 0.757274 1.172271 0.746793 11.00000 0.04063 0.04347 = 0.02760 0.00405 0.00087 0.02632 O5 4 0.709110 0.935619 0.725142 11.00000 0.11398 0.07831 = 0.10571 0.00676 0.00080 0.06303 O6 4 0.769720 0.772092 0.742177 11.00000 0.12961 0.07635 = 0.10394 -0.00655 -0.00043 0.06637 O7 4 0.666667 1.333333 0.752919 10.33333 0.02231 0.02231 = 0.03084 0.00000 0.00000 0.01116 HKLF 4 REM Eu-ndc in P-3 REM wR2 = 0.2149, GooF = S = 1.108, Restrained GooF = 1.084 for all data REM R1 = 0.0782 for 3249 Fo > 4sig(Fo) and 0.1106 for all 4342 data REM 185 parameters refined using 329 restraints END WGHT 0.0859 31.6917 REM Highest difference peak 2.514, deepest hole -2.456, 1-sigma level 0.304 Q1 1 0.3333 0.6667 0.8017 10.33333 0.05 2.51 Q2 1 0.9321 0.9511 0.7574 11.00000 0.05 2.21 Q3 1 0.3333 0.6667 0.7069 10.33333 0.05 1.94 Q4 1 1.0000 1.0000 0.8823 10.33333 0.05 1.75 Q5 1 0.7370 1.0998 0.7484 11.00000 0.05 1.51 Q6 1 0.4171 0.6717 0.7487 11.00000 0.05 1.45 Q7 1 0.7963 1.0156 0.8282 11.00000 0.05 1.20 Q8 1 0.7308 1.2841 0.7305 11.00000 0.05 1.18 Q9 1 1.0000 1.0000 0.6178 10.33333 0.05 1.18 Q10 1 1.0000 1.0000 0.5112 10.33333 0.05 1.16 Q11 1 0.3328 0.8235 0.7237 11.00000 0.05 1.15 Q12 1 0.0739 1.0664 0.6110 11.00000 0.05 1.14 Q13 1 0.1133 1.0744 0.5817 11.00000 0.05 1.11 Q14 1 0.6217 1.1588 0.7400 11.00000 0.05 1.08 Q15 1 0.6373 0.7326 0.7646 11.00000 0.05 1.07 Q16 1 0.7350 0.6457 0.7426 11.00000 0.05 1.07 Q17 1 0.8013 1.0371 0.6541 11.00000 0.05 1.05 Q18 1 0.8528 1.1715 0.7095 11.00000 0.05 1.03 Q19 1 1.0000 1.0000 0.9235 10.33333 0.05 1.01 Q20 1 0.3333 0.6667 0.6169 10.33333 0.05 1.01 ; _shelx_res_checksum 48448 loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group C1 C 0.5148(19) 1.0859(19) 0.8428(5) 0.065(3) Uani 1 1 d D U . . . C2 C 0.5161(12) 1.0382(12) 0.8998(3) 0.062(3) Uani 1 1 d D U . . . C3 C 0.4743(18) 1.0962(16) 0.9419(4) 0.064(4) Uani 1 1 d D U . . . H3 H 0.445335 1.164433 0.935101 0.077 Uiso 1 1 calc R U . . . C4 C 0.477(2) 1.0499(17) 0.9948(3) 0.061(5) Uani 1 1 d D U . . . C5 C 0.561(2) 0.891(2) 0.9623(3) 0.070(5) Uani 1 1 d D U . . . H5 H 0.588371 0.820606 0.968749 0.083 Uiso 1 1 calc R U . . . C6 C 0.5590(18) 0.9364(17) 0.9099(4) 0.068(4) Uani 1 1 d D U . . . H6 H 0.586488 0.898327 0.881318 0.081 Uiso 1 1 calc R U . . . O1 O 0.5635(16) 1.0388(16) 0.8070(4) 0.065(3) Uani 1 1 d D U . . . O2 O 0.4483(18) 1.1532(17) 0.8324(5) 0.072(4) Uani 1 1 d D U . . . C7 C 0.4776(17) 1.1033(16) 0.6534(4) 0.048(3) Uani 1 1 d D U . . . C8 C 0.4925(10) 1.0485(12) 0.5992(3) 0.046(3) Uani 1 1 d D U . . . C9 C 0.4674(15) 1.1059(14) 0.5527(3) 0.047(3) Uani 1 1 d D U . . . H9 H 0.441532 1.177697 0.555037 0.056 Uiso 1 1 calc R U . . . C10 C 0.4815(18) 1.0546(13) 0.5020(3) 0.041(3) Uani 1 1 d D U . . . C11 C 0.545(2) 0.8903(16) 0.5455(3) 0.052(4) Uani 1 1 d D U . . . H11 H 0.571951 0.819286 0.543441 0.063 Uiso 1 1 calc R U . . . C12 C 0.5309(17) 0.9414(15) 0.5956(4) 0.053(3) Uani 1 1 d D U . . . H12 H 0.547498 0.903388 0.626899 0.063 Uiso 1 1 calc R U . . . O3 O 0.5310(15) 1.0779(15) 0.6940(4) 0.052(3) Uani 1 1 d D U . . . O4 O 0.4226(17) 1.1844(16) 0.6552(4) 0.057(3) Uani 1 1 d D U . . . C13 C 0.742(3) 0.869(2) 0.7613(12) 0.089(4) Uani 1 1 d D U . . . H13 H 0.745583 0.888635 0.798026 0.107 Uiso 1 1 calc R U . . . Eu1 Eu 0.75727(7) 1.17227(7) 0.74679(3) 0.0349(2) Uani 1 1 d . . . . . O5 O 0.709(2) 0.9356(19) 0.7251(7) 0.093(4) Uani 1 1 d D U . . . O6 O 0.7697(19) 0.7721(16) 0.7422(8) 0.097(4) Uani 1 1 d D U . . . O7 O 0.666667 1.333333 0.7529(8) 0.025(2) Uani 1 3 d S T P . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C1 0.073(7) 0.070(7) 0.037(5) 0.013(5) 0.008(5) 0.025(5) C2 0.067(7) 0.074(7) 0.038(5) 0.011(5) 0.008(5) 0.030(6) C3 0.073(9) 0.064(8) 0.045(6) 0.008(6) 0.010(6) 0.027(7) C4 0.073(10) 0.057(10) 0.044(6) 0.002(7) 0.008(7) 0.026(9) C5 0.076(10) 0.094(11) 0.053(7) 0.014(8) 0.007(8) 0.054(9) C6 0.073(9) 0.088(9) 0.046(6) 0.013(6) 0.013(6) 0.044(7) O1 0.077(8) 0.062(7) 0.035(5) 0.007(5) 0.007(5) 0.019(6) O2 0.082(8) 0.074(8) 0.046(6) 0.016(6) 0.011(6) 0.029(6) C7 0.061(6) 0.057(6) 0.030(4) -0.006(4) 0.000(4) 0.033(5) C8 0.051(6) 0.059(6) 0.027(4) -0.005(4) 0.003(4) 0.026(5) C9 0.053(7) 0.053(7) 0.033(5) -0.007(5) -0.002(5) 0.026(6) C10 0.045(8) 0.054(8) 0.031(5) -0.008(6) -0.005(6) 0.030(7) C11 0.071(9) 0.059(8) 0.038(6) 0.007(6) 0.001(7) 0.041(7) C12 0.062(7) 0.062(7) 0.036(5) 0.003(5) 0.001(6) 0.033(6) O3 0.064(7) 0.063(7) 0.026(4) -0.009(4) -0.008(4) 0.028(5) O4 0.081(8) 0.058(7) 0.044(5) -0.008(5) 0.003(5) 0.043(6) C13 0.116(7) 0.070(6) 0.106(7) 0.004(5) -0.004(6) 0.064(5) Eu1 0.0406(3) 0.0435(4) 0.0276(3) 0.0040(4) 0.0009(3) 0.0263(3) O5 0.114(7) 0.078(6) 0.106(7) 0.007(5) 0.001(6) 0.063(6) O6 0.130(7) 0.076(6) 0.104(8) -0.007(6) 0.000(7) 0.066(5) O7 0.022(3) 0.022(3) 0.031(7) 0.000 0.000 0.0112(16) 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' Eu Eu -0.1578 3.6682 '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 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 C1 O2 123.0(13) . . ? O1 C1 C2 117.3(9) . . ? O2 C1 C2 119.0(8) . . ? C6 C2 C3 120.6(6) . . ? C6 C2 C1 119.5(6) . . ? C3 C2 C1 119.9(8) . . ? C2 C3 C4 118.7(8) . . ? C5 C4 C4 119.5(10) 4_677 4_677 ? C5 C4 C3 119.6(6) 4_677 . ? C4 C4 C3 120.8(8) 4_677 . ? C6 C5 C4 119.6(7) . 4_677 ? C2 C6 C5 120.7(7) . . ? C1 O1 Eu1 128.4(12) . . ? C1 O2 Eu1 129.4(9) . 3_575 ? O3 C7 O4 122.2(12) . . ? O3 C7 C8 119.4(9) . . ? O4 C7 C8 118.1(8) . . ? O3 C7 Eu1 73.7(8) . 3_575 ? O4 C7 Eu1 48.8(7) . 3_575 ? C8 C7 Eu1 166.9(5) . 3_575 ? C12 C8 C9 120.2(6) . . ? C12 C8 C7 120.2(6) . . ? C9 C8 C7 119.6(8) . . ? C8 C9 C10 119.5(8) . . ? C10 C10 C11 118.8(9) 4_676 4_676 ? C10 C10 C9 120.7(8) 4_676 . ? C11 C10 C9 120.5(6) 4_676 . ? C12 C11 C10 120.3(7) . 4_676 ? C8 C12 C11 120.5(7) . . ? C7 O3 Eu1 142.7(12) . . ? C7 O3 Eu1 82.0(8) . 3_575 ? Eu1 O3 Eu1 97.7(3) . 3_575 ? C7 O4 Eu1 107.6(8) . 3_575 ? O6 C13 O5 114(3) . . ? O6 C13 Eu1 148(2) . . ? O5 C13 Eu1 41.7(10) . . ? O7 Eu1 O6 127.8(4) . 3_675 ? O7 Eu1 O1 81.1(5) . . ? O6 Eu1 O1 134.8(6) 3_675 . ? O7 Eu1 O5 147.1(5) . . ? O6 Eu1 O5 83.7(7) 3_675 . ? O1 Eu1 O5 81.1(6) . . ? O7 Eu1 O4 89.3(6) . 2_775 ? O6 Eu1 O4 77.6(6) 3_675 2_775 ? O1 Eu1 O4 143.8(5) . 2_775 ? O5 Eu1 O4 88.9(5) . 2_775 ? O7 Eu1 O2 75.2(6) . 2_775 ? O6 Eu1 O2 79.5(6) 3_675 2_775 ? O1 Eu1 O2 75.9(5) . 2_775 ? O5 Eu1 O2 126.1(5) . 2_775 ? O4 Eu1 O2 135.1(6) 2_775 2_775 ? O7 Eu1 O3 70.1(4) . . ? O6 Eu1 O3 143.4(5) 3_675 . ? O1 Eu1 O3 73.4(4) . . ? O5 Eu1 O3 78.3(5) . . ? O4 Eu1 O3 70.5(4) 2_775 . ? O2 Eu1 O3 136.4(5) 2_775 . ? O7 Eu1 O3 62.5(4) . 2_775 ? O6 Eu1 O3 72.0(5) 3_675 2_775 ? O1 Eu1 O3 143.1(4) . 2_775 ? O5 Eu1 O3 133.4(5) . 2_775 ? O4 Eu1 O3 47.9(4) 2_775 2_775 ? O2 Eu1 O3 88.4(4) 2_775 2_775 ? O3 Eu1 O3 98.1(6) . 2_775 ? O7 Eu1 C7 76.4(5) . 2_775 ? O6 Eu1 C7 71.9(6) 3_675 2_775 ? O1 Eu1 C7 152.9(5) . 2_775 ? O5 Eu1 C7 110.6(5) . 2_775 ? O4 Eu1 C7 23.6(3) 2_775 2_775 ? O2 Eu1 C7 111.9(4) 2_775 2_775 ? O3 Eu1 C7 84.9(4) . 2_775 ? O3 Eu1 C7 24.37(19) 2_775 2_775 ? O7 Eu1 C13 154.5(5) . . ? O6 Eu1 C13 76.1(6) 3_675 . ? O1 Eu1 C13 74.4(6) . . ? O5 Eu1 C13 21.5(7) . . ? O4 Eu1 C13 106.5(6) 2_775 . ? O2 Eu1 C13 104.7(6) 2_775 . ? O3 Eu1 C13 96.0(6) . . ? O3 Eu1 C13 142.5(6) 2_775 . ? C7 Eu1 C13 124.9(6) 2_775 . ? O7 Eu1 Eu1 30.21(5) . 2_775 ? O6 Eu1 Eu1 97.7(4) 3_675 2_775 ? O1 Eu1 Eu1 106.4(3) . 2_775 ? O5 Eu1 Eu1 166.7(4) . 2_775 ? O4 Eu1 Eu1 78.5(3) 2_775 2_775 ? O2 Eu1 Eu1 67.0(4) 2_775 2_775 ? O3 Eu1 Eu1 93.1(3) . 2_775 ? O3 Eu1 Eu1 37.0(2) 2_775 2_775 ? C7 Eu1 Eu1 58.0(2) 2_775 2_775 ? C13 Eu1 Eu1 170.7(5) . 2_775 ? O7 Eu1 Eu1 30.21(6) . 3_575 ? O6 Eu1 Eu1 157.6(4) 3_675 3_575 ? O1 Eu1 Eu1 61.2(4) . 3_575 ? O5 Eu1 Eu1 117.3(5) . 3_575 ? O4 Eu1 Eu1 94.1(4) 2_775 3_575 ? O2 Eu1 Eu1 92.7(4) 2_775 3_575 ? O3 Eu1 Eu1 45.2(3) . 3_575 ? O3 Eu1 Eu1 86.9(3) 2_775 3_575 ? C7 Eu1 Eu1 92.0(3) 2_775 3_575 ? C13 Eu1 Eu1 126.4(4) . 3_575 ? Eu1 Eu1 Eu1 60.0 2_775 3_575 ? C13 O5 Eu1 116.8(16) . . ? C13 O6 Eu1 155.5(19) . 2_765 ? Eu1 O7 Eu1 119.59(11) . 2_775 ? Eu1 O7 Eu1 119.59(11) . 3_575 ? Eu1 O7 Eu1 119.58(11) 2_775 3_575 ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag C1 O1 1.247(10) . ? C1 O2 1.253(10) . ? C1 C2 1.503(14) . ? C2 C6 1.387(13) . ? C2 C3 1.389(8) . ? C3 C4 1.404(7) . ? C4 C5 1.395(7) 4_677 ? C4 C4 1.396(8) 4_677 ? C5 C6 1.393(7) . ? O1 Eu1 2.352(12) . ? O2 Eu1 2.421(11) 3_575 ? C7 O3 1.247(10) . ? C7 O4 1.256(10) . ? C7 C8 1.502(13) . ? C7 Eu1 2.992(12) 3_575 ? C8 C12 1.387(13) . ? C8 C9 1.389(9) . ? C9 C10 1.405(8) . ? C10 C10 1.398(8) 4_676 ? C10 C11 1.401(7) 4_676 ? C11 C12 1.392(8) . ? O3 Eu1 2.461(12) . ? O3 Eu1 2.900(13) 3_575 ? O4 Eu1 2.363(10) 3_575 ? C13 O6 1.29(2) . ? C13 O5 1.30(2) . ? C13 Eu1 3.158(14) . ? Eu1 O7 2.3425(14) . ? Eu1 O6 2.352(14) 3_675 ? Eu1 O5 2.355(17) . ? Eu1 Eu1 4.0488(10) 2_775 ? Eu1 Eu1 4.0488(10) 3_575 ?