# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2008 data_global _journal_coden_Cambridge 182 loop_ _publ_author_name 'Ming-Liang Tong.' 'Cui-Jin Li.' 'Zhuo-jia Lin.' 'Meng-Xia Peng.' 'Ming-Mei Yang.' _publ_contact_author_name 'Ming-Liang Tong' _publ_contact_author_email TONGML@MAIL.SYSU.EDU.CN _publ_section_title ; Novel three-dimensional 3d-4f microporous magnets exhibiting selective gas adsorption behavior ; # Attachment '2.cif' data_EUM _database_code_depnum_ccdc_archive 'CCDC 700258' _audit_creation_method SHELXL-97 _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C48 H40 Co3 Eu4 N6 O50' _chemical_formula_weight 2285.49 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' Co Co 0.3494 0.9721 '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' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M C2/c 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' _cell_length_a 20.978(3) _cell_length_b 20.211(3) _cell_length_c 18.045(2) _cell_angle_alpha 90.00 _cell_angle_beta 118.600(2) _cell_angle_gamma 90.00 _cell_volume 6717.0(16) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 12398 _cell_measurement_theta_min 1.59 _cell_measurement_theta_max 26.00 _exptl_crystal_description cuboid _exptl_crystal_colour orange _exptl_crystal_size_max 0.18 _exptl_crystal_size_mid 0.14 _exptl_crystal_size_min 0.12 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.260 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4412 _exptl_absorpt_coefficient_mu 4.523 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.4965 _exptl_absorpt_correction_T_max 0.6129 _exptl_absorpt_process_details 'SADABS (Bruker, 2002)' _exptl_special_details ? _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker SMART CCD area detector' _diffrn_measurement_method '\f and \w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 12398 _diffrn_reflns_av_R_equivalents 0.0379 _diffrn_reflns_av_sigmaI/netI 0.0644 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 1.59 _diffrn_reflns_theta_max 26.00 _reflns_number_total 6286 _reflns_number_gt 5333 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART (Bruker, 1998)' _computing_cell_refinement 'Bruker SMART (Bruker, 1998)' _computing_data_reduction 'Bruker SAINT + & SHELXTL (Bruker, 1998)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details ; calc w=1/[\s^2^(Fo^2^)+(0.0402P)^2^+1090.6962P] where P=(Fo^2^+2Fc^2^)/3 ; _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6286 _refine_ls_number_parameters 525 _refine_ls_number_restraints 48 _refine_ls_R_factor_all 0.1017 _refine_ls_R_factor_gt 0.0908 _refine_ls_wR_factor_ref 0.2397 _refine_ls_wR_factor_gt 0.2342 _refine_ls_goodness_of_fit_ref 1.203 _refine_ls_restrained_S_all 1.200 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 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 -0.23161(5) 0.82463(5) -0.26700(6) 0.0205(3) Uani 1 1 d . . . Eu2 Eu -0.5000 0.47556(6) -0.2500 0.0136(3) Uani 1 2 d S . . Eu3 Eu -0.5000 0.81333(7) -0.2500 0.0212(3) Uani 1 2 d S . . Co1 Co -0.35712(13) 0.64733(13) -0.25601(15) 0.0185(5) Uani 1 1 d . . . Co2 Co 0.0000 0.6662(2) -0.2500 0.0450(12) Uani 1 2 d S . . O1W O -0.2585(10) 0.9454(8) -0.2819(11) 0.050(5) Uani 1 1 d . . . O2W O -0.5090(13) 0.8624(10) -0.1327(13) 0.068(6) Uani 1 1 d . . . O3W O -0.5000 0.941(3) -0.2500 0.144(18) Uani 1 2 d SU . . O4W O -0.018(2) 0.637(2) -0.157(2) 0.057(10) Uani 0.50 1 d PU . . O5W O -0.0058(19) 0.7657(17) -0.219(2) 0.045(8) Uani 0.50 1 d PU . . O6W O 0.025(2) 0.707(2) -0.346(2) 0.057(10) Uani 0.50 1 d PU . . O7W O 0.006(3) 0.576(2) -0.306(3) 0.083(14) Uani 0.50 1 d PU . . O1 O -0.2767(7) 0.7201(7) -0.2265(8) 0.027(3) Uani 1 1 d U . . O2 O -0.1721(8) 0.7554(8) -0.1247(9) 0.039(4) Uani 1 1 d . . . O3 O -0.1209(8) 0.6577(8) 0.1745(9) 0.042(4) Uani 1 1 d . . . O4 O -0.2227(8) 0.6376(8) 0.1763(9) 0.034(4) Uani 1 1 d . . . O5 O -0.4199(8) 0.5312(8) -0.1125(8) 0.036(4) Uani 1 1 d . . . O6 O -0.4161(7) 0.5741(6) -0.2225(7) 0.018(3) Uani 1 1 d . . . O7 O -0.4414(7) 0.7207(7) -0.2865(8) 0.028(3) Uani 1 1 d . . . O8 O -0.5568(7) 0.7365(7) -0.3795(8) 0.030(3) Uani 1 1 d . . . O9 O -0.6220(8) 0.6289(8) -0.6689(9) 0.041(4) Uani 1 1 d U . . O10 O -0.5571(7) 0.5459(6) -0.6718(8) 0.023(3) Uani 1 1 d . . . O11 O -0.3087(9) 0.5149(9) -0.3935(10) 0.052(5) Uani 1 1 d . . . O12 O -0.2983(8) 0.5807(8) -0.2896(9) 0.035(4) Uani 1 1 d . . . O13 O -0.1463(7) 0.7476(8) -0.2754(9) 0.036(4) Uani 1 1 d . . . O14 O -0.1129(7) 0.6651(8) -0.3336(10) 0.039(4) Uani 1 1 d . . . O15 O -0.4215(7) 0.6120(8) -0.6593(8) 0.031(3) Uani 1 1 d . . . O16 O -0.3091(7) 0.6206(8) -0.6426(9) 0.030(3) Uani 1 1 d . . . O17 O -0.4563(8) 0.8101(10) -0.4884(11) 0.057(5) Uani 1 1 d . . . O18 O -0.3559(7) 0.8373(7) -0.3717(9) 0.030(3) Uani 1 1 d . . . N1 N -0.3032(8) 0.6455(8) -0.1296(9) 0.020(3) Uani 1 1 d . . . N2 N -0.4249(8) 0.6302(8) -0.3786(9) 0.021(3) Uani 1 1 d . . . N3 N -0.2791(8) 0.7461(8) -0.3946(9) 0.020(3) Uani 1 1 d . . . C1 C -0.2421(10) 0.6809(10) -0.0894(11) 0.023(4) Uani 1 1 d . . . C2 C -0.2009(10) 0.6814(10) -0.0026(12) 0.024(4) Uani 1 1 d . . . H2 H -0.1575 0.7048 0.0242 0.029 Uiso 1 1 calc R . . C3 C -0.2269(10) 0.6450(10) 0.0441(11) 0.022(4) Uani 1 1 d . . . C4 C -0.2910(10) 0.6082(9) 0.0018(12) 0.023(4) Uani 1 1 d . . . H4 H -0.3098 0.5844 0.0311 0.028 Uiso 1 1 calc R . . C5 C -0.3254(10) 0.6087(9) -0.0864(11) 0.021(4) Uani 1 1 d . . . C6 C -0.2265(11) 0.7223(10) -0.1510(13) 0.027(4) Uani 1 1 d . . . C7 C -0.1865(11) 0.6479(9) 0.1397(12) 0.025(4) Uani 1 1 d . . . C8 C -0.3918(9) 0.5681(9) -0.1422(11) 0.018(4) Uani 1 1 d . . . C9 C -0.4892(10) 0.6613(9) -0.4167(11) 0.020(4) Uani 1 1 d . . . C10 C -0.5381(10) 0.6498(9) -0.4990(11) 0.019(4) Uani 1 1 d . . . H10 H -0.5821 0.6723 -0.5252 0.023 Uiso 1 1 calc R . . C11 C -0.5198(9) 0.6026(9) -0.5430(11) 0.016(4) Uani 1 1 d . . . C12 C -0.4543(10) 0.5691(9) -0.5019(10) 0.018(4) Uani 1 1 d . . . H12 H -0.4421 0.5369 -0.5297 0.022 Uiso 1 1 calc R . . C13 C -0.4074(9) 0.5849(9) -0.4185(11) 0.019(4) Uani 1 1 d . . . C14 C -0.4977(10) 0.7093(9) -0.3583(12) 0.022(4) Uani 1 1 d . . . C15 C -0.5700(9) 0.5914(10) -0.6355(11) 0.022(4) Uani 1 1 d . . . C16 C -0.3325(10) 0.5559(10) -0.3643(12) 0.024(4) Uani 1 1 d . . . C17 C -0.2351(10) 0.7020(10) -0.4043(12) 0.025(4) Uani 1 1 d . . . C18 C -0.2588(10) 0.6621(9) -0.4742(11) 0.021(4) Uani 1 1 d . . . H18 H -0.2272 0.6321 -0.4788 0.025 Uiso 1 1 calc R . . C19 C -0.3306(10) 0.6667(9) -0.5382(11) 0.020(4) Uani 1 1 d . . . C20 C -0.3767(10) 0.7100(10) -0.5279(11) 0.023(4) Uani 1 1 d . . . H20 H -0.4253 0.7128 -0.5684 0.027 Uiso 1 1 calc R . . C21 C -0.3489(10) 0.7496(9) -0.4556(11) 0.021(4) Uani 1 1 d . . . C22 C -0.1582(10) 0.7035(10) -0.3327(12) 0.025(4) Uani 1 1 d . . . C23 C -0.3564(10) 0.6287(9) -0.6201(11) 0.020(4) Uani 1 1 d . . . C24 C -0.3917(11) 0.8026(10) -0.4393(13) 0.028(4) Uani 1 1 d . . . O8W O -0.1496(15) 0.5889(18) -0.178(3) 0.149(15) Uani 1 1 d . . . O9W O -0.1603(19) 0.5138(15) -0.365(3) 0.149(15) Uani 1 1 d . . . O10W O -0.098(5) 0.470(5) -0.187(6) 0.19(4) Uani 0.50 1 d PU . . 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 0.0202(5) 0.0267(5) 0.0117(5) -0.0015(4) 0.0053(4) -0.0096(4) Eu2 0.0119(5) 0.0154(6) 0.0114(6) 0.000 0.0038(5) 0.000 Eu3 0.0207(6) 0.0224(7) 0.0169(7) 0.000 0.0062(5) 0.000 Co1 0.0153(11) 0.0242(13) 0.0095(12) -0.0024(10) 0.0006(9) -0.0037(10) Co2 0.022(2) 0.036(3) 0.052(3) 0.000 -0.003(2) 0.000 O1W 0.072(12) 0.031(9) 0.051(11) -0.008(8) 0.034(10) -0.024(9) O2W 0.107(17) 0.065(13) 0.071(14) -0.013(11) 0.074(14) -0.016(12) O3W 0.15(2) 0.14(2) 0.14(2) 0.000 0.067(12) 0.000 O4W 0.055(12) 0.058(13) 0.055(13) 0.009(9) 0.023(9) -0.005(9) O5W 0.046(11) 0.043(12) 0.045(11) -0.002(8) 0.020(9) -0.002(8) O6W 0.054(12) 0.063(13) 0.052(13) 0.002(9) 0.024(9) -0.007(9) O7W 0.085(16) 0.080(16) 0.079(16) -0.006(10) 0.036(11) 0.004(10) O1 0.031(6) 0.034(6) 0.011(6) 0.010(5) 0.007(5) -0.008(5) O2 0.032(8) 0.053(10) 0.022(8) 0.008(7) 0.007(6) -0.026(7) O3 0.037(9) 0.059(11) 0.023(8) 0.006(7) 0.009(7) -0.024(8) O4 0.046(9) 0.043(9) 0.017(7) -0.004(6) 0.018(7) -0.019(7) O5 0.034(8) 0.049(10) 0.013(7) -0.001(6) 0.002(6) -0.026(7) O6 0.034(7) 0.015(6) 0.009(6) -0.006(5) 0.012(5) -0.010(5) O7 0.032(7) 0.033(8) 0.018(7) -0.001(6) 0.011(6) 0.007(6) O8 0.024(7) 0.044(9) 0.011(7) -0.012(6) 0.000(6) 0.007(6) O9 0.042(7) 0.048(8) 0.020(6) -0.007(6) 0.005(5) 0.022(6) O10 0.022(6) 0.024(7) 0.018(7) -0.001(5) 0.006(5) 0.004(5) O11 0.038(9) 0.060(12) 0.034(9) -0.021(8) -0.002(7) 0.026(9) O12 0.033(8) 0.050(10) 0.020(8) -0.005(7) 0.011(6) 0.016(7) O13 0.019(7) 0.045(10) 0.027(8) -0.005(7) -0.001(6) -0.006(6) O14 0.016(7) 0.035(9) 0.049(10) -0.012(7) 0.002(7) 0.008(6) O15 0.025(7) 0.041(9) 0.020(7) -0.015(6) 0.006(6) -0.014(6) O16 0.023(7) 0.043(9) 0.024(8) -0.003(6) 0.011(6) -0.010(6) O17 0.023(8) 0.070(13) 0.052(11) -0.032(10) -0.003(8) 0.015(8) O18 0.029(7) 0.031(8) 0.023(8) -0.011(6) 0.006(6) 0.000(6) N1 0.022(8) 0.027(9) 0.005(7) -0.001(6) 0.001(6) -0.009(7) N2 0.016(7) 0.024(9) 0.016(8) -0.010(6) 0.003(6) -0.005(6) N3 0.018(7) 0.026(9) 0.012(8) -0.001(6) 0.004(6) -0.004(6) C1 0.028(10) 0.023(10) 0.014(9) 0.004(7) 0.007(8) -0.006(8) C2 0.022(9) 0.025(10) 0.018(10) -0.004(8) 0.004(8) -0.010(8) C3 0.023(9) 0.030(10) 0.008(9) -0.004(7) 0.005(7) -0.006(8) C4 0.025(9) 0.020(10) 0.018(10) -0.004(7) 0.005(8) -0.007(8) C5 0.018(9) 0.020(10) 0.015(9) -0.001(7) 0.000(7) -0.009(8) C6 0.026(10) 0.025(11) 0.027(11) 0.006(8) 0.010(9) -0.002(9) C7 0.032(11) 0.019(10) 0.014(10) -0.001(7) 0.002(8) -0.018(8) C8 0.015(8) 0.019(9) 0.014(9) -0.002(7) 0.002(7) -0.009(7) C9 0.017(9) 0.024(10) 0.014(9) -0.001(7) 0.004(7) 0.003(7) C10 0.020(9) 0.016(9) 0.014(9) -0.003(7) 0.002(7) 0.003(7) C11 0.020(9) 0.016(9) 0.015(9) 0.000(7) 0.012(7) -0.003(7) C12 0.028(9) 0.017(9) 0.006(8) 0.005(6) 0.006(7) 0.006(7) C13 0.016(8) 0.020(9) 0.014(9) -0.002(7) 0.002(7) 0.002(7) C14 0.030(10) 0.010(9) 0.019(10) 0.000(7) 0.008(8) 0.006(8) C15 0.012(8) 0.035(11) 0.013(9) -0.001(8) 0.000(7) 0.005(8) C16 0.021(9) 0.021(10) 0.014(9) -0.001(7) -0.004(7) 0.000(8) C17 0.022(9) 0.036(12) 0.014(9) 0.008(8) 0.007(8) -0.005(8) C18 0.026(9) 0.019(10) 0.017(10) 0.002(7) 0.010(8) -0.006(8) C19 0.023(9) 0.020(9) 0.015(9) -0.004(7) 0.008(7) -0.017(8) C20 0.021(9) 0.026(10) 0.012(9) 0.000(7) 0.000(7) -0.005(8) C21 0.019(9) 0.020(10) 0.017(9) 0.002(7) 0.004(7) -0.003(7) C22 0.024(10) 0.026(11) 0.017(10) -0.005(8) 0.004(8) -0.014(8) C23 0.034(10) 0.013(9) 0.018(10) -0.004(7) 0.018(8) -0.007(8) C24 0.028(10) 0.029(11) 0.023(11) -0.006(8) 0.009(9) -0.010(9) O8W 0.065(18) 0.14(3) 0.19(4) 0.05(3) 0.02(2) -0.010(19) O9W 0.12(3) 0.07(2) 0.22(4) -0.02(2) 0.05(3) -0.013(19) O10W 0.19(4) 0.19(4) 0.19(4) -0.003(10) 0.090(19) 0.001(10) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 O9 2.325(14) 8_566 ? Eu1 O4 2.383(14) 7_465 ? Eu1 O18 2.391(14) . ? Eu1 O13 2.431(16) . ? Eu1 O16 2.440(13) 7_464 ? Eu1 O1W 2.491(17) . ? Eu1 O1 2.560(13) . ? Eu1 N3 2.573(15) . ? Eu1 O2 2.654(14) . ? Eu1 C6 2.91(2) . ? Eu2 O10 2.286(13) 5_464 ? Eu2 O10 2.286(13) 6_566 ? Eu2 O15 2.437(13) 5_464 ? Eu2 O15 2.437(13) 6_566 ? Eu2 O5 2.499(13) . ? Eu2 O5 2.499(13) 2_454 ? Eu2 O6 2.544(12) . ? Eu2 O6 2.544(12) 2_454 ? Eu2 C8 2.865(17) . ? Eu2 C8 2.865(17) 2_454 ? Eu3 O3 2.307(15) 7_465 ? Eu3 O3 2.307(15) 8_465 ? Eu3 O2W 2.426(17) . ? Eu3 O2W 2.426(17) 2_454 ? Eu3 O7 2.495(13) . ? Eu3 O7 2.495(13) 2_454 ? Eu3 O8 2.575(13) . ? Eu3 O8 2.575(13) 2_454 ? Eu3 O3W 2.59(5) . ? Eu3 C14 2.886(18) . ? Eu3 C14 2.886(18) 2_454 ? Co1 N1 2.003(14) . ? Co1 N2 2.006(15) . ? Co1 O12 2.102(14) . ? Co1 O1 2.106(13) . ? Co1 O7 2.167(14) . ? Co1 O6 2.192(12) . ? Co2 O4W 1.98(4) . ? Co2 O4W 1.98(4) 2_554 ? Co2 O5W 2.11(3) 2_554 ? Co2 O5W 2.11(3) . ? Co2 O14 2.113(14) 2_554 ? Co2 O14 2.113(14) . ? Co2 O7W 2.13(5) . ? Co2 O7W 2.13(5) 2_554 ? Co2 O6W 2.21(4) 2_554 ? Co2 O6W 2.21(4) . ? O4W O6W 1.44(5) 2_554 ? O4W O7W 1.48(6) 2_554 ? O5W O5W 1.25(6) 2_554 ? O6W O4W 1.44(5) 2_554 ? O7W O4W 1.48(6) 2_554 ? O1 C6 1.26(2) . ? O2 C6 1.21(2) . ? O3 C7 1.22(2) . ? O3 Eu3 2.307(15) 7_465 ? O4 C7 1.24(2) . ? O4 Eu1 2.383(14) 7_465 ? O5 C8 1.22(2) . ? O6 C8 1.29(2) . ? O7 C14 1.29(2) . ? O8 C14 1.24(2) . ? O9 C15 1.22(2) . ? O9 Eu1 2.325(14) 8_465 ? O10 C15 1.23(2) . ? O10 Eu2 2.286(13) 5_464 ? O11 C16 1.21(2) . ? O12 C16 1.29(2) . ? O13 C22 1.30(2) . ? O14 C22 1.23(2) . ? O15 C23 1.25(2) . ? O15 Eu2 2.437(13) 5_464 ? O16 C23 1.25(2) . ? O16 Eu1 2.440(13) 7_464 ? O17 C24 1.22(2) . ? O18 C24 1.29(2) . ? N1 C5 1.31(2) . ? N1 C1 1.34(2) . ? N2 C13 1.32(2) . ? N2 C9 1.34(2) . ? N3 C21 1.35(2) . ? N3 C17 1.35(3) . ? C1 C2 1.38(3) . ? C1 C6 1.55(3) . ? C2 C3 1.41(3) . ? C2 H2 0.9300 . ? C3 C4 1.40(3) . ? C3 C7 1.52(2) . ? C4 C5 1.40(3) . ? C4 H4 0.9300 . ? C5 C8 1.51(2) . ? C9 C10 1.36(3) . ? C9 C14 1.51(2) . ? C10 C11 1.41(2) . ? C10 H10 0.9300 . ? C11 C12 1.39(2) . ? C11 C15 1.50(2) . ? C12 C13 1.39(2) . ? C12 H12 0.9300 . ? C13 C16 1.52(2) . ? C17 C18 1.37(3) . ? C17 C22 1.51(3) . ? C18 C19 1.39(3) . ? C18 H18 0.9300 . ? C19 C20 1.38(3) . ? C19 C23 1.52(2) . ? C20 C21 1.40(3) . ? C20 H20 0.9300 . ? C21 C24 1.52(3) . ? 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 O9 Eu1 O4 85.6(6) 8_566 7_465 ? O9 Eu1 O18 149.9(5) 8_566 . ? O4 Eu1 O18 82.1(5) 7_465 . ? O9 Eu1 O13 79.5(6) 8_566 . ? O4 Eu1 O13 142.9(5) 7_465 . ? O18 Eu1 O13 125.2(5) . . ? O9 Eu1 O16 77.9(5) 8_566 7_464 ? O4 Eu1 O16 134.3(5) 7_465 7_464 ? O18 Eu1 O16 91.3(5) . 7_464 ? O13 Eu1 O16 75.2(5) . 7_464 ? O9 Eu1 O1W 77.1(6) 8_566 . ? O4 Eu1 O1W 67.4(5) 7_465 . ? O18 Eu1 O1W 72.9(5) . . ? O13 Eu1 O1W 139.1(5) . . ? O16 Eu1 O1W 67.4(5) 7_464 . ? O9 Eu1 O1 118.8(5) 8_566 . ? O4 Eu1 O1 75.2(5) 7_465 . ? O18 Eu1 O1 84.3(5) . . ? O13 Eu1 O1 82.7(5) . . ? O16 Eu1 O1 149.4(5) 7_464 . ? O1W Eu1 O1 138.1(5) . . ? O9 Eu1 N3 138.5(6) 8_566 . ? O4 Eu1 N3 134.6(5) 7_465 . ? O18 Eu1 N3 63.3(5) . . ? O13 Eu1 N3 62.0(5) . . ? O16 Eu1 N3 78.0(5) 7_464 . ? O1W Eu1 N3 122.5(5) . . ? O1 Eu1 N3 73.0(4) . . ? O9 Eu1 O2 68.9(5) 8_566 . ? O4 Eu1 O2 70.2(5) 7_465 . ? O18 Eu1 O2 130.6(5) . . ? O13 Eu1 O2 72.8(5) . . ? O16 Eu1 O2 137.2(5) 7_464 . ? O1W Eu1 O2 126.8(5) . . ? O1 Eu1 O2 49.9(4) . . ? N3 Eu1 O2 110.0(5) . . ? O9 Eu1 C6 93.3(5) 8_566 . ? O4 Eu1 C6 67.8(6) 7_465 . ? O18 Eu1 C6 107.1(5) . . ? O13 Eu1 C6 79.3(6) . . ? O16 Eu1 C6 154.2(5) 7_464 . ? O1W Eu1 C6 134.7(6) . . ? O1 Eu1 C6 25.7(5) . . ? N3 Eu1 C6 94.0(5) . . ? O2 Eu1 C6 24.5(5) . . ? O10 Eu2 O10 158.1(7) 5_464 6_566 ? O10 Eu2 O15 80.4(5) 5_464 5_464 ? O10 Eu2 O15 83.7(5) 6_566 5_464 ? O10 Eu2 O15 83.7(5) 5_464 6_566 ? O10 Eu2 O15 80.4(5) 6_566 6_566 ? O15 Eu2 O15 86.9(7) 5_464 6_566 ? O10 Eu2 O5 113.3(5) 5_464 . ? O10 Eu2 O5 77.0(4) 6_566 . ? O15 Eu2 O5 155.5(5) 5_464 . ? O15 Eu2 O5 75.1(5) 6_566 . ? O10 Eu2 O5 77.0(4) 5_464 2_454 ? O10 Eu2 O5 113.3(5) 6_566 2_454 ? O15 Eu2 O5 75.1(5) 5_464 2_454 ? O15 Eu2 O5 155.5(5) 6_566 2_454 ? O5 Eu2 O5 126.6(7) . 2_454 ? O10 Eu2 O6 75.6(4) 5_464 . ? O10 Eu2 O6 123.1(4) 6_566 . ? O15 Eu2 O6 151.8(4) 5_464 . ? O15 Eu2 O6 104.8(5) 6_566 . ? O5 Eu2 O6 51.8(4) . . ? O5 Eu2 O6 85.1(5) 2_454 . ? O10 Eu2 O6 123.1(4) 5_464 2_454 ? O10 Eu2 O6 75.6(4) 6_566 2_454 ? O15 Eu2 O6 104.8(5) 5_464 2_454 ? O15 Eu2 O6 151.8(4) 6_566 2_454 ? O5 Eu2 O6 85.1(5) . 2_454 ? O5 Eu2 O6 51.8(4) 2_454 2_454 ? O6 Eu2 O6 77.0(6) . 2_454 ? O10 Eu2 C8 93.7(5) 5_464 . ? O10 Eu2 C8 100.6(5) 6_566 . ? O15 Eu2 C8 172.3(5) 5_464 . ? O15 Eu2 C8 87.5(5) 6_566 . ? O5 Eu2 C8 25.2(5) . . ? O5 Eu2 C8 108.5(5) 2_454 . ? O6 Eu2 C8 26.8(4) . . ? O6 Eu2 C8 82.6(5) 2_454 . ? O10 Eu2 C8 100.6(5) 5_464 2_454 ? O10 Eu2 C8 93.7(5) 6_566 2_454 ? O15 Eu2 C8 87.5(5) 5_464 2_454 ? O15 Eu2 C8 172.3(5) 6_566 2_454 ? O5 Eu2 C8 108.5(5) . 2_454 ? O5 Eu2 C8 25.2(5) 2_454 2_454 ? O6 Eu2 C8 82.6(5) . 2_454 ? O6 Eu2 C8 26.8(4) 2_454 2_454 ? C8 Eu2 C8 98.5(7) . 2_454 ? O3 Eu3 O3 150.5(9) 7_465 8_465 ? O3 Eu3 O2W 84.5(7) 7_465 . ? O3 Eu3 O2W 83.6(7) 8_465 . ? O3 Eu3 O2W 83.6(7) 7_465 2_454 ? O3 Eu3 O2W 84.5(7) 8_465 2_454 ? O2W Eu3 O2W 131.7(10) . 2_454 ? O3 Eu3 O7 78.8(6) 7_465 . ? O3 Eu3 O7 125.2(5) 8_465 . ? O2W Eu3 O7 142.3(6) . . ? O2W Eu3 O7 79.8(6) 2_454 . ? O3 Eu3 O7 125.2(5) 7_465 2_454 ? O3 Eu3 O7 78.8(6) 8_465 2_454 ? O2W Eu3 O7 79.8(6) . 2_454 ? O2W Eu3 O7 142.3(6) 2_454 2_454 ? O7 Eu3 O7 82.8(7) . 2_454 ? O3 Eu3 O8 126.1(5) 7_465 . ? O3 Eu3 O8 73.6(5) 8_465 . ? O2W Eu3 O8 147.5(6) . . ? O2W Eu3 O8 69.5(6) 2_454 . ? O7 Eu3 O8 51.7(4) . . ? O7 Eu3 O8 73.4(5) 2_454 . ? O3 Eu3 O8 73.6(5) 7_465 2_454 ? O3 Eu3 O8 126.1(5) 8_465 2_454 ? O2W Eu3 O8 69.5(6) . 2_454 ? O2W Eu3 O8 147.5(6) 2_454 2_454 ? O7 Eu3 O8 73.4(5) . 2_454 ? O7 Eu3 O8 51.7(4) 2_454 2_454 ? O8 Eu3 O8 105.8(7) . 2_454 ? O3 Eu3 O3W 75.3(4) 7_465 . ? O3 Eu3 O3W 75.3(4) 8_465 . ? O2W Eu3 O3W 65.8(5) . . ? O2W Eu3 O3W 65.9(5) 2_454 . ? O7 Eu3 O3W 138.6(3) . . ? O7 Eu3 O3W 138.6(3) 2_454 . ? O8 Eu3 O3W 127.1(3) . . ? O8 Eu3 O3W 127.1(3) 2_454 . ? O3 Eu3 C14 102.4(6) 7_465 . ? O3 Eu3 C14 98.9(5) 8_465 . ? O2W Eu3 C14 157.2(6) . . ? O2W Eu3 C14 71.0(6) 2_454 . ? O7 Eu3 C14 26.5(5) . . ? O7 Eu3 C14 78.6(5) 2_454 . ? O8 Eu3 C14 25.4(5) . . ? O8 Eu3 C14 91.4(5) 2_454 . ? O3W Eu3 C14 136.8(4) . . ? O3 Eu3 C14 98.9(5) 7_465 2_454 ? O3 Eu3 C14 102.4(6) 8_465 2_454 ? O2W Eu3 C14 71.0(6) . 2_454 ? O2W Eu3 C14 157.2(6) 2_454 2_454 ? O7 Eu3 C14 78.6(5) . 2_454 ? O7 Eu3 C14 26.5(5) 2_454 2_454 ? O8 Eu3 C14 91.4(5) . 2_454 ? O8 Eu3 C14 25.4(5) 2_454 2_454 ? O3W Eu3 C14 136.8(4) . 2_454 ? C14 Eu3 C14 86.4(7) . 2_454 ? N1 Co1 N2 165.5(6) . . ? N1 Co1 O12 103.1(6) . . ? N2 Co1 O12 77.0(6) . . ? N1 Co1 O1 77.2(5) . . ? N2 Co1 O1 117.3(6) . . ? O12 Co1 O1 90.6(6) . . ? N1 Co1 O7 104.5(6) . . ? N2 Co1 O7 77.1(6) . . ? O12 Co1 O7 152.3(5) . . ? O1 Co1 O7 92.5(6) . . ? N1 Co1 O6 76.1(5) . . ? N2 Co1 O6 89.5(5) . . ? O12 Co1 O6 97.7(6) . . ? O1 Co1 O6 153.1(5) . . ? O7 Co1 O6 91.9(5) . . ? O4W Co2 O4W 145(2) . 2_554 ? O4W Co2 O5W 124.8(15) . 2_554 ? O4W Co2 O5W 90.3(15) 2_554 2_554 ? O4W Co2 O5W 90.3(15) . . ? O4W Co2 O5W 124.8(15) 2_554 . ? O5W Co2 O5W 34.5(18) 2_554 . ? O4W Co2 O14 90.0(12) . 2_554 ? O4W Co2 O14 89.7(12) 2_554 2_554 ? O5W Co2 O14 90.7(10) 2_554 2_554 ? O5W Co2 O14 90.4(10) . 2_554 ? O4W Co2 O14 89.7(12) . . ? O4W Co2 O14 90.0(12) 2_554 . ? O5W Co2 O14 90.4(10) 2_554 . ? O5W Co2 O14 90.7(10) . . ? O14 Co2 O14 178.8(9) 2_554 . ? O4W Co2 O7W 102.9(19) . . ? O4W Co2 O7W 42.0(17) 2_554 . ? O5W Co2 O7W 132.2(16) 2_554 . ? O5W Co2 O7W 166.6(16) . . ? O14 Co2 O7W 91.8(14) 2_554 . ? O14 Co2 O7W 87.2(14) . . ? O4W Co2 O7W 42.0(17) . 2_554 ? O4W Co2 O7W 103(2) 2_554 2_554 ? O5W Co2 O7W 166.6(16) 2_554 2_554 ? O5W Co2 O7W 132.2(16) . 2_554 ? O14 Co2 O7W 87.2(14) 2_554 2_554 ? O14 Co2 O7W 91.8(14) . 2_554 ? O7W Co2 O7W 61(3) . 2_554 ? O4W Co2 O6W 39.6(15) . 2_554 ? O4W Co2 O6W 174.8(17) 2_554 2_554 ? O5W Co2 O6W 85.3(14) 2_554 2_554 ? O5W Co2 O6W 50.8(14) . 2_554 ? O14 Co2 O6W 93.1(11) 2_554 2_554 ? O14 Co2 O6W 87.4(11) . 2_554 ? O7W Co2 O6W 142.1(17) . 2_554 ? O7W Co2 O6W 81.7(17) 2_554 2_554 ? O4W Co2 O6W 174.8(17) . . ? O4W Co2 O6W 39.6(15) 2_554 . ? O5W Co2 O6W 50.8(14) 2_554 . ? O5W Co2 O6W 85.3(14) . . ? O14 Co2 O6W 87.4(11) 2_554 . ? O14 Co2 O6W 93.1(11) . . ? O7W Co2 O6W 81.7(17) . . ? O7W Co2 O6W 142.1(18) 2_554 . ? O6W Co2 O6W 136(2) 2_554 . ? O6W O4W O7W 153(4) 2_554 2_554 ? O6W O4W Co2 79(2) 2_554 . ? O7W O4W Co2 74(2) 2_554 . ? O5W O5W Co2 72.7(9) 2_554 . ? O4W O6W Co2 62(2) 2_554 . ? O4W O7W Co2 64(2) 2_554 . ? C6 O1 Co1 116.8(12) . . ? C6 O1 Eu1 92.7(11) . . ? Co1 O1 Eu1 149.9(6) . . ? C6 O2 Eu1 89.6(12) . . ? C7 O3 Eu3 172.5(17) . 7_465 ? C7 O4 Eu1 149.6(13) . 7_465 ? C8 O5 Eu2 94.4(11) . . ? C8 O6 Co1 113.6(10) . . ? C8 O6 Eu2 90.6(9) . . ? Co1 O6 Eu2 154.7(5) . . ? C14 O7 Co1 112.1(11) . . ? C14 O7 Eu3 94.0(10) . . ? Co1 O7 Eu3 153.1(6) . . ? C14 O8 Eu3 91.5(11) . . ? C15 O9 Eu1 161.5(14) . 8_465 ? C15 O10 Eu2 141.6(13) . 5_464 ? C16 O12 Co1 116.2(12) . . ? C22 O13 Eu1 128.6(12) . . ? C22 O14 Co2 126.3(13) . . ? C23 O15 Eu2 141.5(13) . 5_464 ? C23 O16 Eu1 138.1(13) . 7_464 ? C24 O18 Eu1 127.6(13) . . ? C5 N1 C1 120.0(15) . . ? C5 N1 Co1 121.2(12) . . ? C1 N1 Co1 118.7(12) . . ? C13 N2 C9 121.2(16) . . ? C13 N2 Co1 119.0(12) . . ? C9 N2 Co1 119.5(12) . . ? C21 N3 C17 118.0(16) . . ? C21 N3 Eu1 120.1(12) . . ? C17 N3 Eu1 121.8(12) . . ? N1 C1 C2 122.5(17) . . ? N1 C1 C6 112.1(15) . . ? C2 C1 C6 125.4(17) . . ? C1 C2 C3 117.6(17) . . ? C1 C2 H2 121.2 . . ? C3 C2 H2 121.2 . . ? C4 C3 C2 119.8(17) . . ? C4 C3 C7 120.6(16) . . ? C2 C3 C7 119.6(16) . . ? C5 C4 C3 117.0(17) . . ? C5 C4 H4 121.5 . . ? C3 C4 H4 121.5 . . ? N1 C5 C4 122.9(16) . . ? N1 C5 C8 112.8(15) . . ? C4 C5 C8 124.3(16) . . ? O2 C6 O1 126.0(18) . . ? O2 C6 C1 120.1(18) . . ? O1 C6 C1 113.8(16) . . ? O2 C6 Eu1 65.9(11) . . ? O1 C6 Eu1 61.6(10) . . ? C1 C6 Eu1 162.8(14) . . ? O3 C7 O4 125.3(18) . . ? O3 C7 C3 118.0(18) . . ? O4 C7 C3 116.6(17) . . ? O5 C8 O6 122.3(16) . . ? O5 C8 C5 121.6(16) . . ? O6 C8 C5 116.1(15) . . ? O5 C8 Eu2 60.4(9) . . ? O6 C8 Eu2 62.6(8) . . ? C5 C8 Eu2 169.9(13) . . ? N2 C9 C10 121.9(17) . . ? N2 C9 C14 111.7(15) . . ? C10 C9 C14 126.4(16) . . ? C9 C10 C11 117.7(17) . . ? C9 C10 H10 121.2 . . ? C11 C10 H10 121.1 . . ? C12 C11 C10 119.8(16) . . ? C12 C11 C15 120.6(16) . . ? C10 C11 C15 119.6(16) . . ? C13 C12 C11 118.4(16) . . ? C13 C12 H12 120.8 . . ? C11 C12 H12 120.8 . . ? N2 C13 C12 121.0(16) . . ? N2 C13 C16 112.9(15) . . ? C12 C13 C16 126.1(16) . . ? O8 C14 O7 122.2(16) . . ? O8 C14 C9 120.4(16) . . ? O7 C14 C9 117.4(16) . . ? O8 C14 Eu3 63.1(9) . . ? O7 C14 Eu3 59.6(9) . . ? C9 C14 Eu3 171.8(13) . . ? O9 C15 O10 124.9(17) . . ? O9 C15 C11 116.0(17) . . ? O10 C15 C11 119.1(16) . . ? O11 C16 O12 125.7(18) . . ? O11 C16 C13 120.1(17) . . ? O12 C16 C13 114.2(17) . . ? N3 C17 C18 122.4(17) . . ? N3 C17 C22 113.0(17) . . ? C18 C17 C22 124.5(18) . . ? C17 C18 C19 119.5(18) . . ? C17 C18 H18 120.2 . . ? C19 C18 H18 120.2 . . ? C20 C19 C18 118.7(17) . . ? C20 C19 C23 120.3(17) . . ? C18 C19 C23 120.8(17) . . ? C19 C20 C21 118.8(17) . . ? C19 C20 H20 120.6 . . ? C21 C20 H20 120.6 . . ? N3 C21 C20 122.5(18) . . ? N3 C21 C24 113.0(16) . . ? C20 C21 C24 124.4(17) . . ? O14 C22 O13 126.0(18) . . ? O14 C22 C17 119.4(17) . . ? O13 C22 C17 114.6(18) . . ? O15 C23 O16 127.2(17) . . ? O15 C23 C19 118.3(16) . . ? O16 C23 C19 114.4(16) . . ? O17 C24 O18 124(2) . . ? O17 C24 C21 120.0(18) . . ? O18 C24 C21 115.9(17) . . ? _diffrn_measured_fraction_theta_max 0.952 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.952 _refine_diff_density_max 4.448 _refine_diff_density_min -2.569 _refine_diff_density_rms 0.338