#------------------------------------------------------------------------------ #$Date: 2012-02-26 23:34:47 +0200 (Sun, 26 Feb 2012) $ #$Revision: 35909 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/20/57/7205732.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_7205732 loop_ _publ_author_name 'Hou, Ke-Ling' 'Bai, Feng-Ying' 'Xing, Yong-Heng' 'Wang, Jian-Ling' 'Shi, Zhan' _publ_section_title ; A novel family of 3D photoluminescent lanthanide--bta--flexible MOFs constructed from 1,2,4,5-benzenetetracarboxylic acid and different spanning of dicarboxylate acid ligands ; _journal_issue 11 _journal_name_full CrystEngComm _journal_page_first 3884 _journal_volume 13 _journal_year 2011 _chemical_formula_sum 'C15 H18 Eu2 O17' _chemical_formula_weight 774.21 _chemical_name_systematic ; ? ; _space_group_IT_number 15 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _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 113.604(2) _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 18.886(4) _cell_length_b 7.8133(16) _cell_length_c 14.793(3) _cell_measurement_reflns_used 3364 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 28.72 _cell_measurement_theta_min 2.35 _cell_volume 2000.3(7) _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 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 296(2) _diffrn_measured_fraction_theta_full 0.995 _diffrn_measured_fraction_theta_max 0.995 _diffrn_measurement_device_type 'Bruker SMART APEX' _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 0.0219 _diffrn_reflns_av_sigmaI/netI 0.0271 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_h_min -23 _diffrn_reflns_limit_k_max 9 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 5484 _diffrn_reflns_theta_full 26.75 _diffrn_reflns_theta_max 26.75 _diffrn_reflns_theta_min 2.35 _diffrn_standards_decay_% 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 6.306 _exptl_absorpt_correction_T_max 0.5798 _exptl_absorpt_correction_T_min 0.3402 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'SADABS (Sheldrick, 1996)' _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 2.571 _exptl_crystal_density_method 'not measured' _exptl_crystal_description prismatic _exptl_crystal_F_000 1480 _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.13 _exptl_crystal_size_min 0.10 _refine_diff_density_max 0.625 _refine_diff_density_min -0.728 _refine_diff_density_rms 0.119 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.057 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 156 _refine_ls_number_reflns 2109 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.057 _refine_ls_R_factor_all 0.0224 _refine_ls_R_factor_gt 0.0198 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0200P)^2^+3.1200P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0444 _refine_ls_wR_factor_ref 0.0456 _reflns_number_gt 1950 _reflns_number_total 2109 _reflns_threshold_expression >2sigma(I) _[local]_cod_data_source_file c0ce00707b.txt _[local]_cod_data_source_block xc _[local]_cod_cif_authors_sg_H-M C2/c _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' 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 1555 2011-01-17 13:19:09Z saulius ; _cod_database_code 7205732 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' 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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Eu1 Eu 0.253987(8) 0.36653(2) 0.383820(10) 0.01290(6) Uani 1 1 d . . . O1 O 0.11486(13) 0.4501(4) 0.35243(17) 0.0267(6) Uani 1 1 d . . . O2 O 0.19188(13) 0.3799(3) 0.50359(16) 0.0189(5) Uani 1 1 d . . . O1W O 0.34900(13) 0.5430(3) 0.35081(17) 0.0233(6) Uani 1 1 d . . . H1A H 0.3493 0.5325 0.2958 0.035 Uiso 1 1 d R . . H1B H 0.3907 0.4988 0.3843 0.035 Uiso 1 1 d R . . O2W O 0.23745(16) 0.6880(4) 0.4017(2) 0.0337(7) Uani 1 1 d . . . H2A H 0.2301 0.7262 0.4488 0.051 Uiso 0.50 1 d PR A 1 H2B H 0.2165 0.7472 0.3523 0.051 Uiso 0.50 1 d PR A 1 H2C H 0.2716 0.7189 0.3843 0.051 Uiso 0.50 1 d PR A 2 H2D H 0.2014 0.6656 0.3493 0.051 Uiso 0.50 1 d PR A 2 O3W O 0.5000 0.5000 0.5000 0.127(3) Uani 1 2 d S . . O3 O 0.17747(13) 0.3090(3) 0.68295(17) 0.0206(5) Uani 1 1 d . . . O4 O 0.18483(13) 0.5909(3) 0.70782(16) 0.0208(5) Uani 1 1 d . . . O5 O 0.17058(13) 0.1145(3) 0.33521(17) 0.0217(5) Uani 1 1 d . . . O6 O 0.14712(14) 0.0360(4) 0.46572(17) 0.0267(6) Uani 1 1 d . . . C1 C 0.06186(18) 0.4637(5) 0.4741(2) 0.0154(7) Uani 1 1 d . . . C2 C 0.07482(18) 0.4822(4) 0.5739(2) 0.0143(6) Uani 1 1 d . . . C3 C 0.01269(18) 0.5190(5) 0.5981(2) 0.0182(7) Uani 1 1 d . . . H3 H 0.0210 0.5324 0.6641 0.022 Uiso 1 1 calc R . . C4 C 0.12574(18) 0.4291(5) 0.4402(2) 0.0163(7) Uani 1 1 d . . . C5 C 0.15264(17) 0.4597(5) 0.6597(2) 0.0146(7) Uani 1 1 d . . . C6 C 0.13427(18) 0.0292(5) 0.3755(2) 0.0180(7) Uani 1 1 d . . . C7 C 0.06959(19) -0.0860(5) 0.3103(2) 0.0209(7) Uani 1 1 d . . . H7A H 0.0556 -0.1660 0.3505 0.025 Uiso 1 1 calc R . . H7B H 0.0863 -0.1510 0.2665 0.025 Uiso 1 1 calc R . . C8 C 0.0000 0.0250(7) 0.2500 0.0211(11) Uani 1 2 d S . . H8A H -0.0130 0.0984 0.2943 0.025 Uiso 1 1 d R . . 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 Eu1 0.01152(9) 0.01742(11) 0.00959(9) 0.00041(6) 0.00405(6) 0.00121(6) O1 0.0163(12) 0.0482(19) 0.0151(12) 0.0035(11) 0.0058(10) 0.0106(12) O2 0.0129(11) 0.0285(15) 0.0143(11) 0.0025(10) 0.0046(9) 0.0042(10) O1W 0.0207(12) 0.0325(16) 0.0172(12) 0.0026(11) 0.0081(10) -0.0007(11) O2W 0.0419(16) 0.0299(17) 0.0331(15) -0.0011(13) 0.0190(13) 0.0057(13) O3W 0.032(3) 0.243(11) 0.098(5) 0.039(6) 0.019(3) -0.005(5) O3 0.0199(12) 0.0240(15) 0.0183(12) 0.0041(10) 0.0080(10) 0.0080(11) O4 0.0166(12) 0.0271(15) 0.0155(11) -0.0054(10) 0.0029(9) -0.0023(11) O5 0.0186(12) 0.0302(16) 0.0160(12) -0.0027(10) 0.0067(10) -0.0053(11) O6 0.0248(13) 0.0397(17) 0.0139(11) -0.0019(11) 0.0060(10) -0.0078(12) C1 0.0125(15) 0.0178(18) 0.0156(15) -0.0004(13) 0.0053(13) 0.0004(13) C2 0.0117(15) 0.0139(17) 0.0163(15) -0.0016(13) 0.0045(12) 0.0021(13) C3 0.0171(16) 0.024(2) 0.0124(15) -0.0022(14) 0.0050(13) 0.0020(14) C4 0.0137(15) 0.0186(18) 0.0146(15) 0.0001(13) 0.0037(13) 0.0009(13) C5 0.0111(15) 0.024(2) 0.0110(14) 0.0005(13) 0.0069(12) 0.0039(13) C6 0.0128(15) 0.022(2) 0.0175(16) 0.0006(14) 0.0042(13) 0.0042(14) C7 0.0179(17) 0.0208(19) 0.0183(17) -0.0011(14) 0.0013(14) -0.0011(15) C8 0.016(2) 0.024(3) 0.020(2) 0.000 0.0041(19) 0.000 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 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O3 Eu1 O6 102.74(9) 7_556 7_556 ? O3 Eu1 O4 77.29(8) 7_556 6_565 ? O6 Eu1 O4 147.37(9) 7_556 6_565 ? O3 Eu1 O5 78.77(9) 7_556 . ? O6 Eu1 O5 134.70(8) 7_556 . ? O4 Eu1 O5 77.76(8) 6_565 . ? O3 Eu1 O1W 71.13(9) 7_556 . ? O6 Eu1 O1W 69.26(8) 7_556 . ? O4 Eu1 O1W 80.33(8) 6_565 . ? O5 Eu1 O1W 145.92(8) . . ? O3 Eu1 O2 71.46(8) 7_556 7_556 ? O6 Eu1 O2 70.34(9) 7_556 7_556 ? O4 Eu1 O2 136.67(8) 6_565 7_556 ? O5 Eu1 O2 67.43(8) . 7_556 ? O1W Eu1 O2 115.49(8) . 7_556 ? O3 Eu1 O2 144.82(8) 7_556 . ? O6 Eu1 O2 74.84(8) 7_556 . ? O4 Eu1 O2 123.66(8) 6_565 . ? O5 Eu1 O2 79.11(8) . . ? O1W Eu1 O2 134.96(8) . . ? O2 Eu1 O2 74.91(9) 7_556 . ? O3 Eu1 O2W 136.47(9) 7_556 . ? O6 Eu1 O2W 70.88(9) 7_556 . ? O4 Eu1 O2W 86.59(9) 6_565 . ? O5 Eu1 O2W 136.96(9) . . ? O1W Eu1 O2W 66.38(9) . . ? O2 Eu1 O2W 136.62(8) 7_556 . ? O2 Eu1 O2W 76.90(8) . . ? O3 Eu1 O1 140.13(8) 7_556 . ? O6 Eu1 O1 116.77(8) 7_556 . ? O4 Eu1 O1 72.42(7) 6_565 . ? O5 Eu1 O1 70.04(9) . . ? O1W Eu1 O1 126.67(9) . . ? O2 Eu1 O1 115.85(8) 7_556 . ? O2 Eu1 O1 51.45(7) . . ? O2W Eu1 O1 67.03(9) . . ? O3 Eu1 C4 151.65(9) 7_556 . ? O6 Eu1 C4 96.30(9) 7_556 . ? O4 Eu1 C4 97.63(8) 6_565 . ? O5 Eu1 C4 72.92(9) . . ? O1W Eu1 C4 136.16(9) . . ? O2 Eu1 C4 96.01(9) 7_556 . ? O2 Eu1 C4 26.15(8) . . ? O2W Eu1 C4 69.78(10) . . ? O1 Eu1 C4 25.30(8) . . ? O3 Eu1 Eu1 108.38(6) 7_556 7_556 ? O6 Eu1 Eu1 67.87(6) 7_556 7_556 ? O4 Eu1 Eu1 143.83(6) 6_565 7_556 ? O5 Eu1 Eu1 68.86(5) . 7_556 ? O1W Eu1 Eu1 135.75(5) . 7_556 ? O2 Eu1 Eu1 37.51(5) 7_556 7_556 ? O2 Eu1 Eu1 37.41(5) . 7_556 ? O2W Eu1 Eu1 108.32(6) . 7_556 ? O1 Eu1 Eu1 83.19(6) . 7_556 ? C4 Eu1 Eu1 59.99(7) . 7_556 ? O3 Eu1 H1B 63.4 7_556 . ? O6 Eu1 H1B 60.0 7_556 . ? O4 Eu1 H1B 93.0 6_565 . ? O5 Eu1 H1B 142.1 . . ? O1W Eu1 H1B 16.6 . . ? O2 Eu1 H1B 98.9 7_556 . ? O2 Eu1 H1B 133.2 . . ? O2W Eu1 H1B 77.7 . . ? O1 Eu1 H1B 142.2 . . ? C4 Eu1 H1B 144.9 . . ? Eu1 Eu1 H1B 121.9 7_556 . ? O3 Eu1 H2C 119.6 7_556 . ? O6 Eu1 H2C 68.4 7_556 . ? O4 Eu1 H2C 83.0 6_565 . ? O5 Eu1 H2C 149.7 . . ? O1W Eu1 H2C 49.3 . . ? O2 Eu1 H2C 138.7 7_556 . ? O2 Eu1 H2C 92.7 . . ? O2W Eu1 H2C 17.1 . . ? O1 Eu1 H2C 82.0 . . ? C4 Eu1 H2C 86.8 . . ? Eu1 Eu1 H2C 120.2 7_556 . ? H1B Eu1 H2C 61.3 . . ? O3 Eu1 H2D 134.0 7_556 . ? O6 Eu1 H2D 89.5 7_556 . ? O4 Eu1 H2D 69.8 6_565 . ? O5 Eu1 H2D 122.3 . . ? O1W Eu1 H2D 72.5 . . ? O2 Eu1 H2D 151.8 7_556 . ? O2 Eu1 H2D 81.1 . . ? O2W Eu1 H2D 18.6 . . ? O1 Eu1 H2D 55.4 . . ? C4 Eu1 H2D 66.1 . . ? Eu1 Eu1 H2D 117.2 7_556 . ? H1B Eu1 H2D 86.9 . . ? H2C Eu1 H2D 27.5 . . ? C4 O1 Eu1 92.78(19) . . ? C4 O2 Eu1 137.8(2) . 7_556 ? C4 O2 Eu1 95.20(18) . . ? Eu1 O2 Eu1 105.09(9) 7_556 . ? Eu1 O1W H1A 115.8 . . ? Eu1 O1W H1B 104.1 . . ? H1A O1W H1B 99.9 . . ? Eu1 O2W H2A 121.0 . . ? Eu1 O2W H2B 119.8 . . ? H2A O2W H2B 111.5 . . ? Eu1 O2W H2C 96.5 . . ? H2A O2W H2C 125.6 . . ? H2B O2W H2C 73.4 . . ? Eu1 O2W H2D 77.4 . . ? H2A O2W H2D 121.5 . . ? H2B O2W H2D 49.9 . . ? H2C O2W H2D 103.0 . . ? C5 O3 Eu1 129.38(19) . 7_556 ? C5 O4 Eu1 130.6(2) . 6_566 ? C6 O5 Eu1 134.0(2) . . ? C6 O6 Eu1 138.5(2) . 7_556 ? C3 C1 C2 119.6(3) 5_566 . ? C3 C1 C4 117.5(3) 5_566 . ? C2 C1 C4 122.9(3) . . ? C3 C2 C1 118.9(3) . . ? C3 C2 C5 116.4(3) . . ? C1 C2 C5 124.7(3) . . ? C2 C3 C1 121.5(3) . 5_566 ? C2 C3 H3 119.2 . . ? C1 C3 H3 119.2 5_566 . ? O1 C4 O2 120.6(3) . . ? O1 C4 C1 120.4(3) . . ? O2 C4 C1 119.1(3) . . ? O1 C4 Eu1 61.92(17) . . ? O2 C4 Eu1 58.65(16) . . ? C1 C4 Eu1 177.4(2) . . ? O4 C5 O3 124.2(3) . . ? O4 C5 C2 117.7(3) . . ? O3 C5 C2 117.7(3) . . ? O6 C6 O5 124.6(3) . . ? O6 C6 C7 117.7(3) . . ? O5 C6 C7 117.7(3) . . ? C6 C7 C8 108.7(3) . . ? C6 C7 H7A 110.0 . . ? C8 C7 H7A 110.0 . . ? C6 C7 H7B 110.0 . . ? C8 C7 H7B 110.0 . . ? H7A C7 H7B 108.3 . . ? C7 C8 C7 110.8(4) . 2 ? C7 C8 H8A 109.3 . . ? C7 C8 H8A 109.8 2 . ? 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 Eu1 O3 2.357(2) 7_556 ? Eu1 O6 2.386(2) 7_556 ? Eu1 O4 2.423(2) 6_565 ? Eu1 O5 2.443(2) . ? Eu1 O1W 2.462(2) . ? Eu1 O2 2.482(2) 7_556 ? Eu1 O2 2.488(2) . ? Eu1 O2W 2.558(3) . ? Eu1 O1 2.563(2) . ? Eu1 C4 2.902(3) . ? Eu1 Eu1 3.9456(7) 7_556 ? Eu1 H1B 2.7781 . ? Eu1 H2C 2.7731 . ? Eu1 H2D 2.5106 . ? O1 C4 1.242(4) . ? O2 C4 1.284(4) . ? O2 Eu1 2.482(2) 7_556 ? O1W H1A 0.8200 . ? O1W H1B 0.8201 . ? O2W H2A 0.8199 . ? O2W H2B 0.8200 . ? O2W H2C 0.8200 . ? O2W H2D 0.8200 . ? O3 C5 1.263(4) . ? O3 Eu1 2.357(2) 7_556 ? O4 C5 1.257(4) . ? O4 Eu1 2.423(2) 6_566 ? O5 C6 1.264(4) . ? O6 C6 1.258(4) . ? O6 Eu1 2.386(2) 7_556 ? C1 C3 1.392(4) 5_566 ? C1 C2 1.404(4) . ? C1 C4 1.505(4) . ? C2 C3 1.387(4) . ? C2 C5 1.519(4) . ? C3 C1 1.392(4) 5_566 ? C3 H3 0.9300 . ? C6 C7 1.513(5) . ? C7 C8 1.529(4) . ? C7 H7A 0.9700 . ? C7 H7B 0.9700 . ? C8 C7 1.529(4) 2 ? C8 H8A 0.9730 . ? 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 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O3 Eu1 O1 C4 132.8(2) 7_556 . . . ? O6 Eu1 O1 C4 -38.8(2) 7_556 . . . ? O4 Eu1 O1 C4 175.1(2) 6_565 . . . ? O5 Eu1 O1 C4 92.1(2) . . . . ? O1W Eu1 O1 C4 -122.0(2) . . . . ? O2 Eu1 O1 C4 41.2(2) 7_556 . . . ? O2 Eu1 O1 C4 0.3(2) . . . . ? O2W Eu1 O1 C4 -91.0(2) . . . . ? Eu1 Eu1 O1 C4 22.2(2) 7_556 . . . ? O3 Eu1 O2 C4 -125.2(2) 7_556 . . . ? O6 Eu1 O2 C4 144.1(2) 7_556 . . . ? O4 Eu1 O2 C4 -6.1(2) 6_565 . . . ? O5 Eu1 O2 C4 -73.3(2) . . . . ? O1W Eu1 O2 C4 106.2(2) . . . . ? O2 Eu1 O2 C4 -142.7(2) 7_556 . . . ? O2W Eu1 O2 C4 70.7(2) . . . . ? O1 Eu1 O2 C4 -0.3(2) . . . . ? Eu1 Eu1 O2 C4 -142.7(2) 7_556 . . . ? O3 Eu1 O2 Eu1 17.44(17) 7_556 . . 7_556 ? O6 Eu1 O2 Eu1 -73.26(10) 7_556 . . 7_556 ? O4 Eu1 O2 Eu1 136.52(9) 6_565 . . 7_556 ? O5 Eu1 O2 Eu1 69.33(9) . . . 7_556 ? O1W Eu1 O2 Eu1 -111.14(11) . . . 7_556 ? O2 Eu1 O2 Eu1 0.0 7_556 . . 7_556 ? O2W Eu1 O2 Eu1 -146.68(10) . . . 7_556 ? O1 Eu1 O2 Eu1 142.40(14) . . . 7_556 ? C4 Eu1 O2 Eu1 142.7(2) . . . 7_556 ? O3 Eu1 O5 C6 137.3(3) 7_556 . . . ? O6 Eu1 O5 C6 40.4(3) 7_556 . . . ? O4 Eu1 O5 C6 -143.5(3) 6_565 . . . ? O1W Eu1 O5 C6 165.4(3) . . . . ? O2 Eu1 O5 C6 62.8(3) 7_556 . . . ? O2 Eu1 O5 C6 -15.2(3) . . . . ? O2W Eu1 O5 C6 -72.3(3) . . . . ? O1 Eu1 O5 C6 -68.0(3) . . . . ? C4 Eu1 O5 C6 -41.4(3) . . . . ? Eu1 Eu1 O5 C6 22.3(3) 7_556 . . . ? C3 C1 C2 C3 -0.6(6) 5_566 . . . ? C4 C1 C2 C3 178.1(3) . . . . ? C3 C1 C2 C5 177.5(3) 5_566 . . . ? C4 C1 C2 C5 -3.8(5) . . . . ? C1 C2 C3 C1 0.6(6) . . . 5_566 ? C5 C2 C3 C1 -177.7(3) . . . 5_566 ? Eu1 O1 C4 O2 -0.5(4) . . . . ? Eu1 O1 C4 C1 178.5(3) . . . . ? Eu1 O2 C4 O1 -118.8(3) 7_556 . . . ? Eu1 O2 C4 O1 0.5(4) . . . . ? Eu1 O2 C4 C1 62.2(5) 7_556 . . . ? Eu1 O2 C4 C1 -178.5(3) . . . . ? Eu1 O2 C4 Eu1 -119.3(3) 7_556 . . . ? C3 C1 C4 O1 14.3(5) 5_566 . . . ? C2 C1 C4 O1 -164.4(3) . . . . ? C3 C1 C4 O2 -166.7(3) 5_566 . . . ? C2 C1 C4 O2 14.6(5) . . . . ? C3 C1 C4 Eu1 164(5) 5_566 . . . ? C2 C1 C4 Eu1 -14(6) . . . . ? O3 Eu1 C4 O1 -82.0(3) 7_556 . . . ? O6 Eu1 C4 O1 145.8(2) 7_556 . . . ? O4 Eu1 C4 O1 -4.7(2) 6_565 . . . ? O5 Eu1 C4 O1 -79.3(2) . . . . ? O1W Eu1 C4 O1 79.3(2) . . . . ? O2 Eu1 C4 O1 -143.4(2) 7_556 . . . ? O2 Eu1 C4 O1 -179.5(4) . . . . ? O2W Eu1 C4 O1 78.8(2) . . . . ? Eu1 Eu1 C4 O1 -154.3(2) 7_556 . . . ? O3 Eu1 C4 O2 97.5(2) 7_556 . . . ? O6 Eu1 C4 O2 -34.7(2) 7_556 . . . ? O4 Eu1 C4 O2 174.9(2) 6_565 . . . ? O5 Eu1 C4 O2 100.2(2) . . . . ? O1W Eu1 C4 O2 -101.2(2) . . . . ? O2 Eu1 C4 O2 36.1(2) 7_556 . . . ? O2W Eu1 C4 O2 -101.7(2) . . . . ? O1 Eu1 C4 O2 179.5(4) . . . . ? Eu1 Eu1 C4 O2 25.19(17) 7_556 . . . ? O3 Eu1 C4 C1 127(5) 7_556 . . . ? O6 Eu1 C4 C1 -5(5) 7_556 . . . ? O4 Eu1 C4 C1 -155(5) 6_565 . . . ? O5 Eu1 C4 C1 130(5) . . . . ? O1W Eu1 C4 C1 -72(5) . . . . ? O2 Eu1 C4 C1 66(5) 7_556 . . . ? O2 Eu1 C4 C1 30(5) . . . . ? O2W Eu1 C4 C1 -72(5) . . . . ? O1 Eu1 C4 C1 -151(6) . . . . ? Eu1 Eu1 C4 C1 55(5) 7_556 . . . ? Eu1 O4 C5 O3 -35.2(4) 6_566 . . . ? Eu1 O4 C5 C2 138.5(2) 6_566 . . . ? Eu1 O3 C5 O4 -102.0(3) 7_556 . . . ? Eu1 O3 C5 C2 84.3(3) 7_556 . . . ? C3 C2 C5 O4 -71.3(4) . . . . ? C1 C2 C5 O4 110.6(4) . . . . ? C3 C2 C5 O3 102.8(4) . . . . ? C1 C2 C5 O3 -75.3(4) . . . . ? Eu1 O6 C6 O5 -16.3(6) 7_556 . . . ? Eu1 O6 C6 C7 165.2(3) 7_556 . . . ? Eu1 O5 C6 O6 -16.8(5) . . . . ? Eu1 O5 C6 C7 161.7(2) . . . . ? O6 C6 C7 C8 103.9(3) . . . . ? O5 C6 C7 C8 -74.7(4) . . . . ? C6 C7 C8 C7 -174.8(3) . . . 2 ?