#------------------------------------------------------------------------------ #$Date: 2015-01-23 14:30:19 +0200 (Fri, 23 Jan 2015) $ #$Revision: 130086 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/01/39/2013957.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_2013957 loop_ _publ_author_name 'Li, Xia' 'Zou, Ying-Quan' 'Zheng, Bo' 'Hu, Huai-Ming' _publ_section_title ; catena-Poly[europium(III)-tri-\m-2,3-dimethoxybenzoato] ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first m197 _journal_page_last m199 _journal_paper_doi 10.1107/S0108270104006080 _journal_volume 60 _journal_year 2004 _chemical_formula_iupac '[Eu (C9 H9 O4)3]' _chemical_formula_moiety 'C27 H27 Eu O12' _chemical_formula_sum 'C27 H27 Eu O12' _chemical_formula_weight 695.45 _chemical_name_systematic ; catena-Poly[europium(III)-tri-\m-2,3-dimethoxybenzoato] ; _space_group_IT_number 19 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL97 _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 18.9555(14) _cell_length_b 8.0426(4) _cell_length_c 17.1475(10) _cell_measurement_reflns_used 20233 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 27.48 _cell_measurement_theta_min 2.46 _cell_volume 2614.2(3) _computing_cell_refinement 'RAPID AUTO' _computing_data_collection 'RAPID AUTO (Rigaku, 2001)' _computing_data_reduction 'RAPID AUTO' _computing_molecular_graphics 'XP (Siemens, 1994)' _computing_publication_material 'SHELXTL (Siemens, 1995)' _computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS97 (Sheldrick, 1990)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.981 _diffrn_measured_fraction_theta_max 0.958 _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID image-plate' _diffrn_measurement_method oscillation _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'rotating anode' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0000 _diffrn_reflns_av_sigmaI/netI 0.0708 _diffrn_reflns_limit_h_max 24 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -10 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_number 5640 _diffrn_reflns_theta_full 25.00 _diffrn_reflns_theta_max 27.48 _diffrn_reflns_theta_min 2.46 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 2.466 _exptl_absorpt_correction_T_max 0.674 _exptl_absorpt_correction_T_min 0.543 _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details '(ABSCOR; Higashi, 1995)' _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 1.767 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 1392 _exptl_crystal_size_max 0.33 _exptl_crystal_size_mid 0.21 _exptl_crystal_size_min 0.16 _refine_diff_density_max 0.859 _refine_diff_density_min -0.800 _refine_ls_abs_structure_details 'Flack (1983), with 2495 Friedel pairs' _refine_ls_abs_structure_Flack -0.011(15) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.027 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 367 _refine_ls_number_reflns 5640 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.027 _refine_ls_R_factor_all 0.0328 _refine_ls_R_factor_gt 0.0277 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w = 1/[\s^2^(Fo^2^)+(0.0212P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0662 _refine_ls_wR_factor_ref 0.0674 _reflns_number_gt 4984 _reflns_number_total 5640 _reflns_threshold_expression I>2\s(I) _[local]_cod_data_source_file fg1732.cif _[local]_cod_data_source_block I _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius The following automatic conversions were performed: '_chemical_melting_point' value 'Not measured' was changed to '?' - the value is undefined or not given. '_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic' according to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana The following automatic conversions were performed: '_exptl_crystal_density_meas' value 'not measured' was changed to '?' - the value is perceived as not measured. Automatic conversion script Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas ; _cod_database_code 2013957 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' loop_ _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_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Eu1 0.011940(10) 0.40310(2) 0.285830(10) 0.02322(6) Uani d . 1 . . Eu O1 0.0782(2) 0.0713(6) 0.27178(19) 0.0462(12) Uani d . 1 . . O O2 0.0619(2) 0.2178(4) 0.3776(2) 0.0364(10) Uani d . 1 . . O O3 0.1354(3) 0.1169(6) 0.5053(2) 0.0460(11) Uani d . 1 . . O O4 0.2473(3) -0.0423(6) 0.5598(2) 0.0474(12) Uani d . 1 . . O O5 -0.0969(2) 0.3125(5) 0.3565(2) 0.0389(10) Uani d . 1 . . O O6 -0.0654(2) 0.1594(4) 0.25658(19) 0.0301(9) Uani d . 1 . . O O7 -0.1539(2) -0.0733(4) 0.20444(19) 0.0324(8) Uani d . 1 . . O O8 -0.2813(2) -0.2100(5) 0.2143(3) 0.0529(11) Uani d . 1 . . O O9 0.0317(2) 0.3494(4) 0.15500(18) 0.0385(11) Uani d . 1 . . O O10 0.0015(2) 0.0942(4) 0.11301(13) 0.0316(9) Uani d . 1 . . O O11 -0.0279(2) 0.0764(5) -0.0421(2) 0.0422(11) Uani d . 1 . . O O12 0.0161(3) 0.1671(5) -0.18185(18) 0.0491(12) Uani d . 1 . . O C1 0.0951(3) 0.1042(7) 0.3419(3) 0.0322(11) Uani d . 1 . . C C2 0.1577(3) 0.0210(6) 0.3758(3) 0.0318(12) Uani d . 1 . . C C3 0.1749(3) 0.0254(7) 0.4548(3) 0.0336(13) Uani d . 1 . . C C4 0.2351(3) -0.0580(7) 0.4821(3) 0.0387(14) Uani d . 1 . . C C5 0.2786(4) -0.1429(7) 0.4313(4) 0.0425(15) Uani d . 1 . . C H5A 0.3187 -0.1972 0.4494 0.051 Uiso calc R 1 . . H C6 0.2612(4) -0.1459(7) 0.3518(3) 0.0404(14) Uani d . 1 . . C H6A 0.2902 -0.2022 0.3169 0.048 Uiso calc R 1 . . H C7 0.2017(4) -0.0665(6) 0.3249(3) 0.0356(13) Uani d . 1 . . C H7A 0.1905 -0.0711 0.2721 0.043 Uiso calc R 1 . . H C8 0.1042(5) 0.0288(10) 0.5697(4) 0.060(2) Uani d . 1 . . C H8A 0.0565 0.0659 0.5769 0.090 Uiso calc R 1 . . H H8B 0.1308 0.0502 0.6162 0.090 Uiso calc R 1 . . H H8C 0.1044 -0.0883 0.5589 0.090 Uiso calc R 1 . . H C9 0.3065(4) -0.1269(9) 0.5918(4) 0.0526(18) Uani d . 1 . . C H9A 0.3067 -0.1139 0.6474 0.079 Uiso calc R 1 . . H H9B 0.3491 -0.0810 0.5705 0.079 Uiso calc R 1 . . H H9C 0.3037 -0.2429 0.5790 0.079 Uiso calc R 1 . . H C10 -0.1098(3) 0.1952(6) 0.3095(3) 0.0274(11) Uani d . 1 . . C C11 -0.1783(3) 0.1038(7) 0.3165(2) 0.0284(10) Uani d . 1 . . C C12 -0.1984(3) -0.0174(7) 0.2632(3) 0.0327(12) Uani d . 1 . . C C13 -0.2651(3) -0.0917(8) 0.2698(3) 0.0401(13) Uani d . 1 . . C C14 -0.3098(4) -0.0464(8) 0.3303(4) 0.0476(16) Uani d . 1 . . C H14A -0.3536 -0.0973 0.3356 0.057 Uiso calc R 1 . . H C15 -0.2891(4) 0.0742(9) 0.3825(3) 0.0484(16) Uani d . 1 . . C H15A -0.3193 0.1054 0.4227 0.058 Uiso calc R 1 . . H C16 -0.2240(4) 0.1490(7) 0.3755(3) 0.0391(15) Uani d . 1 . . C H16A -0.2106 0.2308 0.4109 0.047 Uiso calc R 1 . . H C17 -0.1752(4) -0.0157(8) 0.1264(3) 0.0468(16) Uani d . 1 . . C H17A -0.2234 -0.0464 0.1170 0.070 Uiso calc R 1 . . H H17B -0.1455 -0.0662 0.0878 0.070 Uiso calc R 1 . . H H17C -0.1706 0.1030 0.1236 0.070 Uiso calc R 1 . . H C18 -0.3433(4) -0.3042(8) 0.2262(5) 0.060(2) Uani d . 1 . . C H18A -0.3498 -0.3794 0.1834 0.090 Uiso calc R 1 . . H H18B -0.3832 -0.2308 0.2296 0.090 Uiso calc R 1 . . H H18C -0.3392 -0.3663 0.2738 0.090 Uiso calc R 1 . . H C19 0.0210(3) 0.2425(5) 0.1022(2) 0.0263(11) Uani d . 1 . . C C20 0.0361(3) 0.2994(6) 0.0193(2) 0.0278(12) Uani d . 1 . . C C21 0.0169(4) 0.2092(6) -0.0469(3) 0.0318(12) Uani d . 1 . . C C22 0.0389(4) 0.2645(7) -0.1205(3) 0.0360(13) Uani d . 1 . . C C23 0.0793(3) 0.4041(7) -0.1287(2) 0.0355(12) Uani d . 1 . . C H23A 0.0946 0.4362 -0.1780 0.043 Uiso calc R 1 . . H C24 0.0976(4) 0.4985(6) -0.0639(3) 0.0381(15) Uani d . 1 . . C H24A 0.1235 0.5960 -0.0691 0.046 Uiso calc R 1 . . H C25 0.0758(4) 0.4423(6) 0.0094(3) 0.0378(15) Uani d . 1 . . C H25A 0.0886 0.5033 0.0533 0.045 Uiso calc R 1 . . H C26 0.0062(5) -0.0834(6) -0.0407(3) 0.061(2) Uani d . 1 . . C H26A -0.0275 -0.1672 -0.0263 0.092 Uiso calc R 1 . . H H26B 0.0439 -0.0817 -0.0034 0.092 Uiso calc R 1 . . H H26C 0.0248 -0.1079 -0.0915 0.092 Uiso calc R 1 . . H C27 0.0394(4) 0.2127(11) -0.2567(3) 0.059(2) Uani d . 1 . . C H27A 0.0207 0.1365 -0.2945 0.088 Uiso calc R 1 . . H H27B 0.0900 0.2096 -0.2582 0.088 Uiso calc R 1 . . H H27C 0.0234 0.3232 -0.2684 0.088 Uiso calc R 1 . . H 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 0.02751(12) 0.02260(8) 0.01956(8) 0.00044(11) 0.00105(11) -0.00003(8) O1 0.035(2) 0.080(3) 0.0237(17) -0.023(2) -0.0042(16) -0.0009(18) O2 0.041(3) 0.0279(16) 0.0404(19) 0.0065(18) -0.0070(19) 0.0033(14) O3 0.052(3) 0.051(2) 0.0350(18) 0.016(2) -0.0019(18) -0.0012(18) O4 0.041(3) 0.068(3) 0.0326(18) 0.012(2) -0.015(2) -0.0073(16) O5 0.044(3) 0.0386(18) 0.0340(17) -0.0019(19) 0.0101(19) -0.0136(15) O6 0.030(2) 0.0298(16) 0.0308(17) 0.0056(16) 0.0064(16) -0.0009(13) O7 0.032(2) 0.0352(17) 0.0302(16) 0.0023(16) 0.0044(16) 0.0001(14) O8 0.040(3) 0.047(2) 0.072(3) -0.014(2) 0.003(3) -0.013(2) O9 0.052(3) 0.0408(17) 0.0228(15) -0.0076(18) 0.0060(17) -0.0034(12) O10 0.051(3) 0.0249(11) 0.0184(10) -0.003(2) 0.0046(15) 0.0098(10) O11 0.049(3) 0.041(2) 0.0364(16) -0.012(2) 0.0008(18) -0.0034(15) O12 0.068(3) 0.060(2) 0.0194(14) -0.009(3) 0.000(2) -0.0046(14) C1 0.025(3) 0.034(2) 0.037(2) -0.009(3) -0.001(2) 0.008(2) C2 0.029(4) 0.032(2) 0.034(3) -0.006(2) -0.005(2) -0.0005(19) C3 0.032(4) 0.043(2) 0.026(2) -0.001(3) -0.002(2) 0.0024(19) C4 0.031(4) 0.048(3) 0.037(2) 0.002(3) -0.003(3) -0.003(2) C5 0.027(4) 0.045(3) 0.055(3) 0.002(3) -0.002(3) -0.001(2) C6 0.038(4) 0.035(3) 0.048(3) 0.004(3) 0.005(3) -0.004(2) C7 0.044(4) 0.030(2) 0.032(2) -0.001(2) 0.001(2) -0.0037(18) C8 0.056(5) 0.073(4) 0.052(4) 0.003(4) 0.016(4) -0.018(3) C9 0.047(5) 0.060(4) 0.051(3) 0.008(4) -0.019(3) 0.008(3) C10 0.033(3) 0.024(2) 0.025(2) 0.004(2) 0.002(2) -0.0045(16) C11 0.031(3) 0.0267(19) 0.0271(18) 0.006(3) 0.009(2) 0.0016(19) C12 0.029(3) 0.035(2) 0.034(3) 0.004(2) 0.004(2) 0.0041(19) C13 0.032(3) 0.040(2) 0.048(3) -0.002(3) 0.001(2) -0.004(3) C14 0.031(4) 0.051(3) 0.061(4) -0.010(3) 0.008(3) 0.001(3) C15 0.039(4) 0.056(4) 0.050(3) -0.001(3) 0.018(3) -0.002(3) C16 0.043(4) 0.037(3) 0.037(3) 0.002(3) 0.005(3) -0.006(2) C17 0.050(5) 0.059(3) 0.032(3) 0.014(3) -0.009(3) -0.005(2) C18 0.038(4) 0.045(3) 0.098(6) -0.005(3) -0.007(4) -0.004(3) C19 0.029(4) 0.0262(19) 0.0234(18) -0.001(2) 0.004(2) 0.0026(14) C20 0.037(4) 0.0258(19) 0.0202(19) 0.005(2) 0.003(2) 0.0010(16) C21 0.036(3) 0.031(2) 0.029(2) 0.002(3) -0.003(3) 0.0048(16) C22 0.038(4) 0.045(3) 0.024(2) 0.001(3) -0.003(2) -0.0035(19) C23 0.044(4) 0.037(2) 0.025(2) 0.002(3) 0.005(2) 0.002(2) C24 0.056(5) 0.028(2) 0.030(3) -0.009(3) 0.008(3) 0.0032(19) C25 0.054(5) 0.034(3) 0.026(2) -0.007(3) -0.001(3) -0.0013(17) C26 0.107(7) 0.033(2) 0.045(2) -0.012(5) 0.004(4) -0.012(2) C27 0.063(5) 0.088(5) 0.024(2) -0.016(4) 0.011(3) -0.008(3) 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' O O 0.0106 0.0060 '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 O9 Eu1 O10 . 3 149.50(11) yes O9 Eu1 O2 . . 117.54(14) yes O10 Eu1 O2 3 . 87.94(12) yes O9 Eu1 O1 . 3 79.69(14) yes O10 Eu1 O1 3 3 81.75(13) yes O2 Eu1 O1 . 3 156.45(15) yes O9 Eu1 O6 . 3 78.41(12) yes O10 Eu1 O6 3 3 72.93(12) yes O2 Eu1 O6 . 3 124.87(15) yes O1 Eu1 O6 3 3 72.06(16) yes O9 Eu1 O6 . . 75.77(12) yes O10 Eu1 O6 3 . 127.04(13) yes O2 Eu1 O6 . . 82.76(13) yes O1 Eu1 O6 3 . 86.65(15) yes O6 Eu1 O6 3 . 149.02(4) yes O9 Eu1 O5 . . 123.28(14) yes O10 Eu1 O5 3 . 75.03(12) yes O2 Eu1 O5 . . 79.87(15) yes O1 Eu1 O5 3 . 77.04(15) yes O6 Eu1 O5 3 . 137.94(13) yes O6 Eu1 O5 . . 52.02(11) yes O9 Eu1 O7 . 3 84.93(14) yes O10 Eu1 O7 3 3 90.94(12) yes O2 Eu1 O7 . 3 66.72(13) yes O1 Eu1 O7 3 3 134.17(14) yes O6 Eu1 O7 3 3 62.60(12) yes O6 Eu1 O7 . 3 130.67(11) yes O5 Eu1 O7 . 3 144.27(12) yes O9 Eu1 C10 . . 99.11(13) no O10 Eu1 C10 3 . 100.97(13) no O2 Eu1 C10 . . 82.00(14) no O1 Eu1 C10 3 . 79.29(16) no O6 Eu1 C10 3 . 151.25(14) no O6 Eu1 C10 . . 26.14(12) no O5 Eu1 C10 . . 25.98(12) no O7 Eu1 C10 3 . 146.12(13) no O9 Eu1 O1 . . 71.58(11) yes O10 Eu1 O1 3 . 134.54(10) yes O2 Eu1 O1 . . 46.85(11) yes O1 Eu1 O1 3 . 141.19(11) yes O6 Eu1 O1 3 . 124.65(12) yes O6 Eu1 O1 . . 61.65(12) yes O5 Eu1 O1 . . 97.28(12) yes O7 Eu1 O1 3 . 69.26(11) yes C10 Eu1 O1 . . 80.09(13) no O9 Eu1 C1 . . 94.31(14) no O10 Eu1 C1 3 . 110.10(13) no O2 Eu1 C1 . . 23.23(13) no O1 Eu1 C1 3 . 161.92(16) no O6 Eu1 C1 3 . 123.75(14) no O6 Eu1 C1 . . 75.32(13) no O5 Eu1 C1 . . 92.53(14) no O7 Eu1 C1 3 . 61.21(12) no C10 Eu1 C1 . . 84.92(14) no O1 Eu1 C1 . . 24.49(12) no O9 Eu1 Eu1 . 3_545 63.79(9) no O10 Eu1 Eu1 3 3_545 146.23(8) no O2 Eu1 Eu1 . 3_545 68.71(9) no O1 Eu1 Eu1 3 3_545 109.95(12) no O6 Eu1 Eu1 3 3_545 140.43(8) no O6 Eu1 Eu1 . 3_545 29.89(9) no O5 Eu1 Eu1 . 3_545 77.02(8) no O7 Eu1 Eu1 3 3_545 101.02(7) no C10 Eu1 Eu1 . 3_545 53.35(9) no O1 Eu1 Eu1 . 3_545 33.30(8) no C1 Eu1 Eu1 . 3_545 52.68(10) no C1 O1 Eu1 . 3_545 133.5(4) no C1 O1 Eu1 . . 80.9(4) no Eu1 O1 Eu1 3_545 . 103.92(16) no C1 O2 Eu1 . . 109.4(3) no C3 O3 C8 . . 116.6(5) no C4 O4 C9 . . 117.9(5) no C10 O5 Eu1 . . 94.0(3) no C10 O6 Eu1 . 3_545 133.5(3) no C10 O6 Eu1 . . 93.9(3) no Eu1 O6 Eu1 3_545 . 119.00(17) no C12 O7 C17 . . 113.0(4) no C12 O7 Eu1 . 3_545 125.6(3) no C17 O7 Eu1 . 3_545 110.6(3) no C13 O8 C18 . . 117.0(5) no C19 O9 Eu1 . . 142.6(3) no C19 O10 Eu1 . 3_545 139.8(3) no C21 O11 C26 . . 114.8(5) no C22 O12 C27 . . 116.6(5) no O2 C1 O1 . . 118.8(5) no O2 C1 C2 . . 122.3(5) no O1 C1 C2 . . 118.6(5) no O2 C1 Eu1 . . 47.4(3) no O1 C1 Eu1 . . 74.6(4) no C2 C1 Eu1 . . 154.1(4) no C3 C2 C7 . . 118.7(5) no C3 C2 C1 . . 123.9(5) no C7 C2 C1 . . 117.4(5) no O3 C3 C2 . . 120.2(5) no O3 C3 C4 . . 119.6(5) no C2 C3 C4 . . 120.2(5) no O4 C4 C5 . . 124.3(6) no O4 C4 C3 . . 114.9(5) no C5 C4 C3 . . 120.8(5) no C4 C5 C6 . . 118.8(6) no C4 C5 H5A . . 120.6 no C6 C5 H5A . . 120.6 no C7 C6 C5 . . 120.7(6) no C7 C6 H6A . . 119.7 no C5 C6 H6A . . 119.7 no C6 C7 C2 . . 120.9(5) no C6 C7 H7A . . 119.5 no C2 C7 H7A . . 119.5 no O3 C8 H8A . . 109.5 no O3 C8 H8B . . 109.5 no H8A C8 H8B . . 109.5 no O3 C8 H8C . . 109.5 no H8A C8 H8C . . 109.5 no H8B C8 H8C . . 109.5 no O4 C9 H9A . . 109.5 no O4 C9 H9B . . 109.5 no H9A C9 H9B . . 109.5 no O4 C9 H9C . . 109.5 no H9A C9 H9C . . 109.5 no H9B C9 H9C . . 109.5 no O5 C10 O6 . . 119.7(5) no O5 C10 C11 . . 119.0(5) no O6 C10 C11 . . 121.3(4) no O5 C10 Eu1 . . 60.1(3) no O6 C10 Eu1 . . 60.0(3) no C11 C10 Eu1 . . 172.7(3) no C16 C11 C12 . . 119.7(5) no C16 C11 C10 . . 118.2(5) no C12 C11 C10 . . 122.0(4) no O7 C12 C11 . . 122.6(5) no O7 C12 C13 . . 117.9(5) no C11 C12 C13 . . 119.5(5) no O8 C13 C14 . . 124.1(6) no O8 C13 C12 . . 116.0(5) no C14 C13 C12 . . 119.9(6) no C15 C14 C13 . . 119.8(6) no C15 C14 H14A . . 120.1 no C13 C14 H14A . . 120.1 no C14 C15 C16 . . 120.5(6) no C14 C15 H15A . . 119.8 no C16 C15 H15A . . 119.8 no C15 C16 C11 . . 120.7(5) no C15 C16 H16A . . 119.7 no C11 C16 H16A . . 119.7 no O7 C17 H17A . . 109.5 no O7 C17 H17B . . 109.5 no H17A C17 H17B . . 109.5 no O7 C17 H17C . . 109.5 no H17A C17 H17C . . 109.5 no H17B C17 H17C . . 109.5 no O8 C18 H18A . . 109.5 no O8 C18 H18B . . 109.5 no H18A C18 H18B . . 109.5 no O8 C18 H18C . . 109.5 no H18A C18 H18C . . 109.5 no H18B C18 H18C . . 109.5 no O10 C19 O9 . . 125.7(4) no O10 C19 C20 . . 118.5(4) no O9 C19 C20 . . 115.8(4) no C25 C20 C21 . . 118.3(5) no C25 C20 C19 . . 117.8(4) no C21 C20 C19 . . 123.7(4) no O11 C21 C20 . . 121.3(4) no O11 C21 C22 . . 119.2(5) no C20 C21 C22 . . 119.3(5) no C23 C22 O12 . . 124.3(5) no C23 C22 C21 . . 121.3(5) no O12 C22 C21 . . 114.4(5) no C22 C23 C24 . . 120.4(5) no C22 C23 H23A . . 119.8 no C24 C23 H23A . . 119.8 no C23 C24 C25 . . 118.0(5) no C23 C24 H24A . . 121.0 no C25 C24 H24A . . 121.0 no C20 C25 C24 . . 122.6(5) no C20 C25 H25A . . 118.7 no C24 C25 H25A . . 118.7 no O11 C26 H26A . . 109.5 no O11 C26 H26B . . 109.5 no H26A C26 H26B . . 109.5 no O11 C26 H26C . . 109.5 no H26A C26 H26C . . 109.5 no H26B C26 H26C . . 109.5 no O12 C27 H27A . . 109.5 no O12 C27 H27B . . 109.5 no H27A C27 H27B . . 109.5 no O12 C27 H27C . . 109.5 no H27A C27 H27C . . 109.5 no H27B C27 H27C . . 109.5 no 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 . 2.959(5) yes Eu1 O1 3 2.392(4) yes Eu1 O2 . 2.365(4) yes Eu1 O5 . 2.500(4) yes Eu1 O6 . 2.498(4) yes Eu1 O6 3 2.409(3) yes Eu1 O7 3 2.703(4) yes Eu1 O9 . 2.315(3) yes Eu1 O10 3 2.332(3) yes Eu1 Eu1 3_545 4.2291(2) no O1 C1 . 1.272(6) yes O1 Eu1 3_545 2.392(4) no O2 C1 . 1.267(7) yes O3 C3 . 1.361(7) no O3 C8 . 1.440(8) no O4 C4 . 1.360(6) no O4 C9 . 1.422(8) no O5 C10 . 1.264(6) yes O6 C10 . 1.271(6) yes O6 Eu1 3_545 2.409(3) no O7 C12 . 1.388(6) no O7 C17 . 1.472(6) no O7 Eu1 3_545 2.703(4) no O8 C13 . 1.380(7) no O8 C18 . 1.413(8) no O9 C19 . 1.265(5) yes O10 C19 . 1.262(6) yes O10 Eu1 3_545 2.332(3) no O11 C21 . 1.367(7) no O11 C26 . 1.438(7) no O12 C22 . 1.381(6) no O12 C27 . 1.406(6) no C1 C2 . 1.481(8) no C2 C3 . 1.393(7) no C2 C7 . 1.398(8) no C3 C4 . 1.404(8) no C4 C5 . 1.380(8) no C5 C6 . 1.402(8) no C5 H5A . 0.93 no C6 C7 . 1.376(9) no C6 H6A . 0.93 no C7 H7A . 0.93 no C8 H8A . 0.96 no C8 H8B . 0.96 no C8 H8C . 0.96 no C9 H9A . 0.96 no C9 H9B . 0.96 no C9 H9C . 0.96 no C10 C11 . 1.497(8) no C11 C16 . 1.380(7) no C11 C12 . 1.389(7) no C12 C13 . 1.404(9) no C13 C14 . 1.389(8) no C14 C15 . 1.376(9) no C14 H14A . 0.93 no C15 C16 . 1.379(10) no C15 H15A . 0.93 no C16 H16A . 0.93 no C17 H17A . 0.96 no C17 H17B . 0.96 no C17 H17C . 0.96 no C18 H18A . 0.96 no C18 H18B . 0.96 no C18 H18C . 0.96 no C19 C20 . 1.521(6) no C20 C25 . 1.384(7) no C20 C21 . 1.396(6) no C21 C22 . 1.402(7) no C22 C23 . 1.366(8) no C23 C24 . 1.390(7) no C23 H23A . 0.93 no C24 C25 . 1.398(7) no C24 H24A . 0.93 no C25 H25A . 0.93 no C26 H26A . 0.96 no C26 H26B . 0.96 no C26 H26C . 0.96 no C27 H27A . 0.96 no C27 H27B . 0.96 no C27 H27C . 0.96 no