# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2012 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # ####################################################################### data_y _database_code_depnum_ccdc_archive 'CCDC 869086' #TrackingRef 'Eu4Cu2.CIF' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C22 H20 Cl Cu Eu N6 O6' _chemical_formula_weight 715.39 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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.765(2) _cell_length_b 12.646(3) _cell_length_c 19.068(4) _cell_angle_alpha 95.39(3) _cell_angle_beta 104.23(3) _cell_angle_gamma 112.35(3) _cell_volume 2275.9(8) _cell_formula_units_Z 3 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.566 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1053 _exptl_absorpt_coefficient_mu 2.878 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _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 ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 19984 _diffrn_reflns_av_R_equivalents 0.0568 _diffrn_reflns_av_sigmaI/netI 0.0715 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 1.13 _diffrn_reflns_theta_max 25.00 _reflns_number_total 7993 _reflns_number_gt 6039 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.0854P)^2^+12.1517P] 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 mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0022(4) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 7993 _refine_ls_number_parameters 515 _refine_ls_number_restraints 342 _refine_ls_R_factor_all 0.0846 _refine_ls_R_factor_gt 0.0586 _refine_ls_wR_factor_ref 0.2069 _refine_ls_wR_factor_gt 0.1693 _refine_ls_goodness_of_fit_ref 1.185 _refine_ls_restrained_S_all 1.185 _refine_ls_shift/su_max 0.001 _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 0.93555(6) 0.26082(5) 0.19410(3) 0.0376(2) Uani 1 1 d U . . Eu2 Eu 0.96680(7) 0.38172(5) 0.40700(3) 0.0461(2) Uani 1 1 d U . . Cu1 Cu 0.89283(14) 0.15601(11) 0.01114(7) 0.0367(3) Uani 1 1 d U . . C23 C 1.1995(16) 0.1920(15) 0.3814(8) 0.074(4) Uani 1 1 d U . . H23A H 1.1602 0.1120 0.3863 0.112 Uiso 1 1 calc R . . H23B H 1.2108 0.2422 0.4257 0.112 Uiso 1 1 calc R . . H23C H 1.2897 0.2108 0.3737 0.112 Uiso 1 1 calc R . . O2 O 1.0503(8) 0.2408(7) 0.1012(4) 0.0420(18) Uani 1 1 d U . . O3 O 0.7951(8) 0.1098(6) 0.0876(4) 0.0384(17) Uani 1 1 d U . . N1 N 1.0228(9) 0.1328(7) -0.0417(5) 0.0348(19) Uani 1 1 d U . . O6 O 0.8814(9) 0.3735(7) 0.1133(4) 0.049(2) Uani 1 1 d U . . O5 O 0.8626(8) 0.3124(7) -0.0043(4) 0.0444(18) Uani 1 1 d U . . N2 N 0.7129(9) 0.0552(8) -0.0704(5) 0.039(2) Uani 1 1 d U . . O4 O 0.7878(8) 0.0315(6) 0.2075(4) 0.0401(17) Uani 1 1 d U . . C14 C 0.6076(11) -0.0684(9) 0.0090(6) 0.033(2) Uani 1 1 d U . . O9 O 0.7070(9) 0.2287(7) 0.2052(4) 0.050(2) Uani 1 1 d U . . C18 C 0.6894(11) -0.0470(9) 0.1427(6) 0.040(3) Uani 1 1 d U . . C19 C 0.7014(11) 0.0028(9) 0.0796(6) 0.034(2) Uani 1 1 d U . . O11 O 0.9821(9) 0.4330(7) 0.2810(4) 0.052(2) Uani 1 1 d U . . O1 O 1.1984(9) 0.4177(8) 0.2149(5) 0.060(2) Uani 1 1 d U . . O8 O 1.0162(9) 0.2497(7) 0.3283(4) 0.051(2) Uani 1 1 d U . . C7 C 1.1786(12) 0.3134(9) 0.1019(6) 0.039(2) Uani 1 1 d U . . C22 C 0.8645(11) 0.3837(10) 0.0463(6) 0.041(3) Uani 1 1 d U . . C5 C 1.3731(12) 0.3765(11) 0.0488(7) 0.047(3) Uani 1 1 d U . . H5A H 1.4119 0.3654 0.0117 0.057 Uiso 1 1 calc R . . O7 O 1.1065(9) 0.1818(8) 0.2531(4) 0.052(2) Uani 1 1 d U . . C6 C 1.2332(11) 0.2954(9) 0.0437(6) 0.036(2) Uani 1 1 d U . . C15 C 0.5056(12) -0.1786(10) 0.0064(6) 0.043(3) Uani 1 1 d U . . H15A H 0.4402 -0.2235 -0.0387 0.052 Uiso 1 1 calc R . . C8 C 1.1568(12) 0.2011(10) -0.0204(6) 0.039(2) Uani 1 1 d U . . H8A H 1.2090 0.1876 -0.0496 0.047 Uiso 1 1 calc R . . C2 C 1.2631(12) 0.4107(10) 0.1604(6) 0.040(3) Uani 1 1 d U . . C13 C 0.6124(12) -0.0280(9) -0.0609(6) 0.036(2) Uani 1 1 d U . . H13A H 0.5332 -0.0682 -0.1019 0.043 Uiso 1 1 calc R . . O14 O 1.0626(13) 0.2863(11) 0.5027(6) 0.079(3) Uani 1 1 d U . . O15 O 1.2235(10) 0.4879(10) 0.4335(5) 0.074(3) Uani 1 1 d U . . C3 C 1.3941(12) 0.4860(10) 0.1619(6) 0.045(3) Uani 1 1 d U . . H3A H 1.4469 0.5500 0.2011 0.054 Uiso 1 1 calc R . . C17 C 0.5968(12) -0.1559(9) 0.1389(6) 0.042(3) Uani 1 1 d U . . H17A H 0.5971 -0.1866 0.1813 0.050 Uiso 1 1 calc R . . C16 C 0.5004(13) -0.2227(10) 0.0710(6) 0.046(3) Uani 1 1 d U . . H16A H 0.4325 -0.2966 0.0684 0.056 Uiso 1 1 calc R . . C26 C 0.6668(12) 0.2643(10) 0.2564(6) 0.042(3) Uani 1 1 d U . . O12 O 0.9728(13) 0.5605(9) 0.3636(5) 0.082(3) Uani 1 1 d U . . O10 O 0.7388(9) 0.3000(9) 0.3230(5) 0.063(2) Uani 1 1 d U . . C24 C 1.1051(14) 0.2084(12) 0.3185(7) 0.052(3) Uani 1 1 d U . . C4 C 1.4498(12) 0.4692(11) 0.1066(7) 0.049(3) Uani 1 1 d U . . H4A H 1.5399 0.5211 0.1088 0.059 Uiso 1 1 calc R . . C12 C 0.6912(14) 0.0841(13) -0.1430(7) 0.058(3) Uani 1 1 d U . . H12A H 0.6340 0.1281 -0.1464 0.070 Uiso 1 1 calc R . . H12B H 0.6368 0.0116 -0.1796 0.070 Uiso 1 1 calc R . . C21 C 0.8413(14) 0.4880(11) 0.0291(7) 0.053(3) Uani 1 1 d U . . H21A H 0.8293 0.4883 -0.0224 0.079 Uiso 1 1 calc R . . H21B H 0.9213 0.5575 0.0584 0.079 Uiso 1 1 calc R . . H21C H 0.7582 0.4857 0.0403 0.079 Uiso 1 1 calc R . . C25 C 0.5223(15) 0.2595(14) 0.2366(8) 0.067(4) Uani 1 1 d U . . H25A H 0.5063 0.2899 0.2799 0.101 Uiso 1 1 calc R . . H25B H 0.4547 0.1799 0.2169 0.101 Uiso 1 1 calc R . . H25C H 0.5125 0.3056 0.2001 0.101 Uiso 1 1 calc R . . C1 C 1.293(2) 0.5007(18) 0.2835(10) 0.108(6) Uani 1 1 d U . . H1A H 1.3813 0.5473 0.2761 0.162 Uiso 1 1 calc R . . H1B H 1.3099 0.4588 0.3217 0.162 Uiso 1 1 calc R . . H1C H 1.2515 0.5505 0.2980 0.162 Uiso 1 1 calc R . . C9 C 0.9679(13) 0.0452(10) -0.1081(6) 0.043(3) Uani 1 1 d U . . H9A H 0.8934 -0.0239 -0.1028 0.052 Uiso 1 1 calc R . . H9B H 1.0422 0.0236 -0.1149 0.052 Uiso 1 1 calc R . . C10 C 0.9094(14) 0.0858(11) -0.1770(6) 0.049(3) Uani 1 1 d U . . H10A H 0.8509 0.0180 -0.2168 0.059 Uiso 1 1 calc R . . H10B H 0.9875 0.1353 -0.1924 0.059 Uiso 1 1 calc R . . C11 C 0.8219(13) 0.1536(11) -0.1644(7) 0.049(3) Uani 1 1 d U . . H11A H 0.8817 0.2227 -0.1257 0.058 Uiso 1 1 calc R . . H11B H 0.7925 0.1796 -0.2094 0.058 Uiso 1 1 calc R . . C28 C 0.9681(18) 0.5238(13) 0.3000(8) 0.072(4) Uani 1 1 d U . . C20 C 0.7730(17) -0.0060(13) 0.2761(7) 0.073(4) Uani 1 1 d U . . H20A H 0.7186 -0.0891 0.2658 0.110 Uiso 1 1 calc R . . H20B H 0.7261 0.0327 0.2979 0.110 Uiso 1 1 calc R . . H20C H 0.8647 0.0135 0.3098 0.110 Uiso 1 1 calc R . . C32 C 1.2420(16) 0.5603(14) 0.4900(8) 0.071(4) Uani 1 1 d U . . C31 C 1.3847(18) 0.6442(17) 0.5351(10) 0.096(6) Uani 1 1 d U . . H31A H 1.3894 0.7220 0.5397 0.144 Uiso 1 1 calc R . . H31B H 1.4520 0.6389 0.5116 0.144 Uiso 1 1 calc R . . H31C H 1.4057 0.6265 0.5833 0.144 Uiso 1 1 calc R . . C27 C 0.947(3) 0.598(2) 0.2415(12) 0.130(8) Uani 1 1 d U . . H27A H 1.0361 0.6428 0.2345 0.195 Uiso 1 1 calc R . . H27B H 0.9096 0.6499 0.2584 0.195 Uiso 1 1 calc R . . H27C H 0.8824 0.5472 0.1955 0.195 Uiso 1 1 calc R . . O13 O 0.8383(12) 0.1974(10) 0.4443(6) 0.079(3) Uani 1 1 d U . . C30 C 0.955(2) 0.2160(17) 0.4949(10) 0.086(5) Uani 1 1 d U . . C29 C 0.928(3) 0.122(2) 0.5427(14) 0.148(9) Uani 1 1 d U . . H29A H 1.0083 0.1046 0.5567 0.223 Uiso 1 1 calc R . . H29B H 0.8462 0.0528 0.5147 0.223 Uiso 1 1 calc R . . H29C H 0.9114 0.1516 0.5863 0.223 Uiso 1 1 calc R . . O16 O 1.1385(9) 0.5522(8) 0.5125(5) 0.062(2) Uani 1 1 d U . . O2W O 0.671(3) -0.310(2) 0.3540(15) 0.109(8) Uani 0.50 1 d PU . . O1W O 0.558(3) 0.008(3) 0.4016(17) 0.131(10) Uani 0.50 1 d PU . . O1W' O 0.383(4) -0.139(3) 0.3807(19) 0.149(12) Uani 0.50 1 d PU . . O2W' O 0.602(2) -0.2769(15) 0.3037(10) 0.065(5) 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 0.0457(4) 0.0355(3) 0.0275(3) 0.0018(2) 0.0150(2) 0.0115(3) Eu2 0.0511(4) 0.0506(4) 0.0277(3) -0.0030(3) 0.0130(3) 0.0140(3) Cu1 0.0426(7) 0.0382(7) 0.0298(7) 0.0043(5) 0.0144(6) 0.0162(6) C23 0.070(7) 0.089(8) 0.066(7) 0.014(6) 0.012(6) 0.041(6) O2 0.044(4) 0.045(4) 0.037(4) 0.007(3) 0.021(3) 0.015(3) O3 0.046(4) 0.032(4) 0.031(4) 0.001(3) 0.016(3) 0.009(3) N1 0.044(5) 0.036(4) 0.032(4) 0.010(3) 0.014(4) 0.023(4) O6 0.072(5) 0.044(4) 0.042(4) 0.011(3) 0.026(4) 0.029(4) O5 0.055(4) 0.041(4) 0.043(4) 0.005(3) 0.021(3) 0.023(4) N2 0.041(5) 0.046(5) 0.033(4) 0.005(4) 0.012(4) 0.022(4) O4 0.042(4) 0.042(4) 0.028(4) 0.008(3) 0.010(3) 0.010(3) C14 0.033(5) 0.036(5) 0.035(5) 0.002(4) 0.011(4) 0.019(4) O9 0.053(4) 0.044(4) 0.047(4) -0.004(3) 0.021(4) 0.012(4) C18 0.038(5) 0.036(5) 0.042(5) -0.003(4) 0.013(4) 0.013(4) C19 0.035(5) 0.033(5) 0.040(5) 0.008(4) 0.013(4) 0.019(4) O11 0.074(5) 0.040(4) 0.040(4) 0.000(3) 0.029(4) 0.016(4) O1 0.058(5) 0.058(5) 0.049(5) -0.004(4) 0.027(4) 0.004(4) O8 0.059(5) 0.056(5) 0.035(4) 0.001(3) 0.010(4) 0.027(4) C7 0.042(5) 0.033(5) 0.044(5) 0.004(4) 0.015(4) 0.018(4) C22 0.037(5) 0.042(5) 0.044(6) 0.015(5) 0.016(4) 0.014(4) C5 0.050(6) 0.052(6) 0.046(6) 0.015(5) 0.025(5) 0.021(5) O7 0.056(5) 0.063(5) 0.042(4) 0.010(4) 0.016(4) 0.030(4) C6 0.036(5) 0.039(5) 0.041(5) 0.014(4) 0.017(4) 0.020(4) C15 0.036(5) 0.045(6) 0.042(6) -0.003(4) 0.004(4) 0.016(5) C8 0.053(6) 0.045(5) 0.036(5) 0.014(4) 0.022(4) 0.030(5) C2 0.042(5) 0.049(6) 0.029(5) 0.008(4) 0.016(4) 0.016(5) C13 0.041(5) 0.033(5) 0.038(5) -0.001(4) 0.014(4) 0.021(4) O14 0.092(7) 0.088(6) 0.053(5) 0.009(5) 0.011(5) 0.042(6) O15 0.058(5) 0.102(6) 0.045(5) -0.020(4) 0.019(4) 0.024(5) C3 0.045(6) 0.045(6) 0.041(6) 0.008(4) 0.012(5) 0.015(5) C17 0.043(5) 0.036(5) 0.047(6) 0.012(4) 0.022(5) 0.012(4) C16 0.047(6) 0.042(6) 0.044(6) 0.013(5) 0.012(5) 0.012(5) C26 0.046(6) 0.042(5) 0.036(5) 0.008(4) 0.017(5) 0.013(5) O12 0.126(7) 0.067(6) 0.053(5) -0.001(4) 0.043(5) 0.034(5) O10 0.058(5) 0.075(6) 0.039(5) 0.005(4) 0.016(4) 0.011(4) C24 0.053(6) 0.057(6) 0.041(6) 0.002(5) 0.013(5) 0.019(5) C4 0.038(5) 0.053(6) 0.054(6) 0.013(5) 0.014(5) 0.016(5) C12 0.064(7) 0.069(7) 0.048(6) 0.012(5) 0.020(5) 0.031(6) C21 0.057(6) 0.047(6) 0.059(7) 0.012(5) 0.023(5) 0.023(5) C25 0.065(7) 0.083(8) 0.061(7) 0.000(6) 0.017(6) 0.041(6) C1 0.098(9) 0.119(10) 0.083(9) -0.006(7) 0.046(8) 0.016(7) C9 0.050(6) 0.046(6) 0.041(6) 0.007(4) 0.019(5) 0.027(5) C10 0.060(6) 0.062(6) 0.042(6) 0.012(5) 0.028(5) 0.035(5) C11 0.060(6) 0.052(6) 0.042(6) 0.016(5) 0.024(5) 0.026(5) C28 0.100(8) 0.062(7) 0.055(7) 0.016(6) 0.033(6) 0.028(6) C20 0.086(8) 0.068(7) 0.046(6) 0.023(6) 0.024(6) 0.006(6) C32 0.062(7) 0.073(8) 0.065(7) -0.004(6) 0.034(6) 0.009(6) C31 0.078(8) 0.107(10) 0.095(9) 0.011(7) 0.039(7) 0.023(7) C27 0.167(12) 0.116(11) 0.115(11) 0.028(8) 0.048(9) 0.063(9) O13 0.083(6) 0.076(6) 0.073(6) 0.016(5) 0.027(5) 0.027(5) C30 0.107(9) 0.086(9) 0.070(8) 0.020(7) 0.026(7) 0.046(7) C29 0.161(13) 0.143(12) 0.139(12) 0.063(9) 0.038(9) 0.058(9) O16 0.054(5) 0.069(5) 0.054(5) -0.012(4) 0.032(4) 0.014(4) O2W 0.105(11) 0.101(11) 0.097(11) 0.018(9) 0.013(8) 0.029(8) O1W 0.126(13) 0.151(14) 0.121(13) 0.006(9) 0.067(10) 0.051(9) O1W' 0.158(15) 0.152(15) 0.133(15) 0.037(10) 0.041(10) 0.060(10) O2W' 0.070(8) 0.051(8) 0.057(8) 0.021(7) 0.010(7) 0.011(7) _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 O6 2.313(8) . ? Eu1 O3 2.372(7) . ? Eu1 O9 2.403(8) . ? Eu1 O11 2.414(8) . ? Eu1 O2 2.440(7) . ? Eu1 O7 2.498(8) . ? Eu1 O8 2.529(8) . ? Eu1 O1 2.671(9) . ? Eu1 O4 2.799(7) . ? Eu1 C24 2.913(13) . ? Eu1 Cu1 3.4669(17) . ? Eu1 Eu2 4.0870(13) . ? Eu2 O10 2.342(9) . ? Eu2 O16 2.382(8) 2_766 ? Eu2 O8 2.432(8) . ? Eu2 O15 2.462(10) . ? Eu2 O12 2.463(11) . ? Eu2 O13 2.489(11) . ? Eu2 O14 2.506(11) . ? Eu2 O16 2.538(9) . ? Eu2 O11 2.573(8) . ? Eu2 C30 2.789(19) . ? Eu2 C28 2.842(15) . ? Eu2 C32 2.884(15) . ? Cu1 O2 1.953(8) . ? Cu1 N1 2.003(9) . ? Cu1 O3 2.005(7) . ? Cu1 N2 2.016(9) . ? Cu1 O5 2.158(8) . ? C23 C24 1.457(18) . ? O2 C7 1.333(13) . ? O3 C19 1.311(12) . ? N1 C8 1.300(14) . ? N1 C9 1.431(13) . ? O6 C22 1.271(13) . ? O5 C22 1.248(13) . ? N2 C13 1.256(13) . ? N2 C12 1.451(15) . ? O4 C18 1.401(12) . ? O4 C20 1.457(14) . ? C14 C15 1.395(15) . ? C14 C19 1.433(14) . ? C14 C13 1.476(15) . ? O9 C26 1.273(13) . ? C18 C17 1.340(15) . ? C18 C19 1.422(15) . ? O11 C28 1.245(17) . ? O1 C2 1.399(13) . ? O1 C1 1.459(19) . ? O8 C24 1.293(15) . ? C7 C2 1.407(15) . ? C7 C6 1.416(15) . ? C22 C21 1.484(16) . ? C5 C4 1.358(17) . ? C5 C6 1.436(15) . ? O7 C24 1.266(14) . ? C6 C8 1.442(15) . ? C15 C16 1.404(16) . ? C2 C3 1.360(15) . ? O14 C30 1.12(2) . ? O15 C32 1.269(16) . ? C3 C4 1.371(16) . ? C17 C16 1.390(16) . ? C26 O10 1.249(14) . ? C26 C25 1.484(17) . ? O12 C28 1.240(16) . ? C12 C11 1.526(17) . ? C9 C10 1.533(16) . ? C10 C11 1.539(16) . ? C28 C27 1.55(3) . ? C32 O16 1.261(16) . ? C32 C31 1.47(2) . ? O13 C30 1.30(2) . ? C30 C29 1.55(3) . ? O16 Eu2 2.382(8) 2_766 ? O2W O2W' 1.27(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 O6 Eu1 O3 81.4(3) . . ? O6 Eu1 O9 81.9(3) . . ? O3 Eu1 O9 81.3(3) . . ? O6 Eu1 O11 79.8(3) . . ? O3 Eu1 O11 152.8(3) . . ? O9 Eu1 O11 76.6(3) . . ? O6 Eu1 O2 76.3(3) . . ? O3 Eu1 O2 63.8(2) . . ? O9 Eu1 O2 140.9(3) . . ? O11 Eu1 O2 129.3(3) . . ? O6 Eu1 O7 147.7(3) . . ? O3 Eu1 O7 100.2(3) . . ? O9 Eu1 O7 130.4(3) . . ? O11 Eu1 O7 106.2(3) . . ? O2 Eu1 O7 75.7(3) . . ? O6 Eu1 O8 145.5(3) . . ? O3 Eu1 O8 130.3(3) . . ? O9 Eu1 O8 89.4(3) . . ? O11 Eu1 O8 65.7(3) . . ? O2 Eu1 O8 126.1(3) . . ? O7 Eu1 O8 51.8(3) . . ? O6 Eu1 O1 82.2(3) . . ? O3 Eu1 O1 125.4(2) . . ? O9 Eu1 O1 146.0(3) . . ? O11 Eu1 O1 71.2(3) . . ? O2 Eu1 O1 61.8(3) . . ? O7 Eu1 O1 70.5(3) . . ? O8 Eu1 O1 87.0(3) . . ? O6 Eu1 O4 132.8(3) . . ? O3 Eu1 O4 59.3(2) . . ? O9 Eu1 O4 68.2(3) . . ? O11 Eu1 O4 124.2(2) . . ? O2 Eu1 O4 104.6(2) . . ? O7 Eu1 O4 70.5(3) . . ? O8 Eu1 O4 71.9(2) . . ? O1 Eu1 O4 140.8(3) . . ? O6 Eu1 C24 156.6(3) . . ? O3 Eu1 C24 118.3(3) . . ? O9 Eu1 C24 111.9(3) . . ? O11 Eu1 C24 85.1(3) . . ? O2 Eu1 C24 100.3(3) . . ? O7 Eu1 C24 25.6(3) . . ? O8 Eu1 C24 26.3(3) . . ? O1 Eu1 C24 76.0(3) . . ? O4 Eu1 C24 70.6(3) . . ? O6 Eu1 Cu1 65.59(19) . . ? O3 Eu1 Cu1 34.05(17) . . ? O9 Eu1 Cu1 108.0(2) . . ? O11 Eu1 Cu1 143.6(2) . . ? O2 Eu1 Cu1 33.19(18) . . ? O7 Eu1 Cu1 97.80(19) . . ? O8 Eu1 Cu1 147.87(19) . . ? O1 Eu1 Cu1 92.30(18) . . ? O4 Eu1 Cu1 89.29(15) . . ? C24 Eu1 Cu1 123.2(3) . . ? O6 Eu1 Eu2 113.25(19) . . ? O3 Eu1 Eu2 144.14(17) . . ? O9 Eu1 Eu2 69.42(19) . . ? O11 Eu1 Eu2 36.26(19) . . ? O2 Eu1 Eu2 149.37(18) . . ? O7 Eu1 Eu2 84.34(19) . . ? O8 Eu1 Eu2 33.77(19) . . ? O1 Eu1 Eu2 89.85(18) . . ? O4 Eu1 Eu2 89.99(15) . . ? C24 Eu1 Eu2 58.9(3) . . ? Cu1 Eu1 Eu2 177.37(3) . . ? O10 Eu2 O16 84.3(3) . 2_766 ? O10 Eu2 O8 86.2(3) . . ? O16 Eu2 O8 160.1(3) 2_766 . ? O10 Eu2 O15 150.1(3) . . ? O16 Eu2 O15 117.1(3) 2_766 . ? O8 Eu2 O15 78.7(3) . . ? O10 Eu2 O12 82.5(4) . . ? O16 Eu2 O12 80.3(3) 2_766 . ? O8 Eu2 O12 115.7(3) . . ? O15 Eu2 O12 81.1(4) . . ? O10 Eu2 O13 74.6(4) . . ? O16 Eu2 O13 78.8(4) 2_766 . ? O8 Eu2 O13 81.8(3) . . ? O15 Eu2 O13 127.5(4) . . ? O12 Eu2 O13 150.3(4) . . ? O10 Eu2 O14 125.7(4) . . ? O16 Eu2 O14 90.7(4) 2_766 . ? O8 Eu2 O14 80.7(3) . . ? O15 Eu2 O14 77.3(4) . . ? O12 Eu2 O14 149.6(4) . . ? O13 Eu2 O14 51.5(4) . . ? O10 Eu2 O16 143.7(3) . . ? O16 Eu2 O16 65.2(3) 2_766 . ? O8 Eu2 O16 128.7(3) . . ? O15 Eu2 O16 51.8(3) . . ? O12 Eu2 O16 73.5(3) . . ? O13 Eu2 O16 115.5(3) . . ? O14 Eu2 O16 76.4(4) . . ? O10 Eu2 O11 71.4(3) . . ? O16 Eu2 O11 127.6(3) 2_766 . ? O8 Eu2 O11 64.8(3) . . ? O15 Eu2 O11 78.8(3) . . ? O12 Eu2 O11 51.6(3) . . ? O13 Eu2 O11 133.1(3) . . ? O14 Eu2 O11 141.1(3) . . ? O16 Eu2 O11 111.1(3) . . ? O10 Eu2 C30 102.4(5) . . ? O16 Eu2 C30 83.2(5) 2_766 . ? O8 Eu2 C30 81.9(4) . . ? O15 Eu2 C30 100.8(5) . . ? O12 Eu2 C30 162.2(4) . . ? O13 Eu2 C30 27.9(5) . . ? O14 Eu2 C30 23.8(4) . . ? O16 Eu2 C30 93.6(5) . . ? O11 Eu2 C30 146.2(4) . . ? O10 Eu2 C28 73.4(4) . . ? O16 Eu2 C28 103.2(4) 2_766 . ? O8 Eu2 C28 90.7(4) . . ? O15 Eu2 C28 81.1(4) . . ? O12 Eu2 C28 25.8(4) . . ? O13 Eu2 C28 147.5(4) . . ? O14 Eu2 C28 158.0(5) . . ? O16 Eu2 C28 93.9(4) . . ? O11 Eu2 C28 26.0(3) . . ? C30 Eu2 C28 171.7(5) . . ? O10 Eu2 C32 157.8(4) . . ? O16 Eu2 C32 91.1(4) 2_766 . ? O8 Eu2 C32 104.0(4) . . ? O15 Eu2 C32 26.0(3) . . ? O12 Eu2 C32 75.3(5) . . ? O13 Eu2 C32 125.9(4) . . ? O14 Eu2 C32 75.9(5) . . ? O16 Eu2 C32 25.9(3) . . ? O11 Eu2 C32 94.8(4) . . ? C30 Eu2 C32 98.6(6) . . ? C28 Eu2 C32 86.7(5) . . ? O2 Cu1 N1 91.1(3) . . ? O2 Cu1 O3 79.9(3) . . ? N1 Cu1 O3 146.6(3) . . ? O2 Cu1 N2 170.4(3) . . ? N1 Cu1 N2 95.9(4) . . ? O3 Cu1 N2 90.6(3) . . ? O2 Cu1 O5 91.5(3) . . ? N1 Cu1 O5 112.1(3) . . ? O3 Cu1 O5 100.3(3) . . ? N2 Cu1 O5 91.9(3) . . ? O2 Cu1 Eu1 43.2(2) . . ? N1 Cu1 Eu1 133.5(3) . . ? O3 Cu1 Eu1 41.5(2) . . ? N2 Cu1 Eu1 128.6(3) . . ? O5 Cu1 Eu1 82.6(2) . . ? C7 O2 Cu1 124.0(7) . . ? C7 O2 Eu1 125.8(6) . . ? Cu1 O2 Eu1 103.7(3) . . ? C19 O3 Cu1 121.2(6) . . ? C19 O3 Eu1 131.6(6) . . ? Cu1 O3 Eu1 104.5(3) . . ? C8 N1 C9 117.9(9) . . ? C8 N1 Cu1 121.6(7) . . ? C9 N1 Cu1 120.3(7) . . ? C22 O6 Eu1 142.2(7) . . ? C22 O5 Cu1 124.2(7) . . ? C13 N2 C12 117.0(10) . . ? C13 N2 Cu1 123.5(8) . . ? C12 N2 Cu1 119.4(8) . . ? C18 O4 C20 115.2(9) . . ? C18 O4 Eu1 116.5(6) . . ? C20 O4 Eu1 125.9(7) . . ? C15 C14 C19 118.8(10) . . ? C15 C14 C13 118.8(10) . . ? C19 C14 C13 122.4(9) . . ? C26 O9 Eu1 133.0(8) . . ? C17 C18 O4 125.7(10) . . ? C17 C18 C19 123.3(10) . . ? O4 C18 C19 111.0(9) . . ? O3 C19 C18 119.9(9) . . ? O3 C19 C14 123.0(9) . . ? C18 C19 C14 117.2(9) . . ? C28 O11 Eu1 153.6(10) . . ? C28 O11 Eu2 89.1(8) . . ? Eu1 O11 Eu2 110.0(3) . . ? C2 O1 C1 114.1(10) . . ? C2 O1 Eu1 118.9(7) . . ? C1 O1 Eu1 126.2(8) . . ? C24 O8 Eu2 147.3(8) . . ? C24 O8 Eu1 93.7(7) . . ? Eu2 O8 Eu1 110.9(3) . . ? O2 C7 C2 120.7(10) . . ? O2 C7 C6 121.0(10) . . ? C2 C7 C6 118.2(10) . . ? O5 C22 O6 125.1(11) . . ? O5 C22 C21 119.6(10) . . ? O6 C22 C21 115.3(10) . . ? C4 C5 C6 121.4(11) . . ? C24 O7 Eu1 95.8(8) . . ? C7 C6 C5 117.8(10) . . ? C7 C6 C8 124.0(10) . . ? C5 C6 C8 118.2(10) . . ? C14 C15 C16 120.9(10) . . ? N1 C8 C6 127.1(10) . . ? C3 C2 O1 125.8(10) . . ? C3 C2 C7 121.5(10) . . ? O1 C2 C7 112.7(9) . . ? N2 C13 C14 126.4(10) . . ? C30 O14 Eu2 92.3(12) . . ? C32 O15 Eu2 96.0(8) . . ? C2 C3 C4 121.2(11) . . ? C18 C17 C16 119.6(11) . . ? C17 C16 C15 120.0(11) . . ? O10 C26 O9 124.7(11) . . ? O10 C26 C25 117.2(11) . . ? O9 C26 C25 118.0(11) . . ? C28 O12 Eu2 94.4(9) . . ? C26 O10 Eu2 145.6(8) . . ? O7 C24 O8 118.3(11) . . ? O7 C24 C23 121.3(12) . . ? O8 C24 C23 120.4(11) . . ? O7 C24 Eu1 58.6(6) . . ? O8 C24 Eu1 60.0(6) . . ? C23 C24 Eu1 175.1(10) . . ? C5 C4 C3 119.8(11) . . ? N2 C12 C11 117.6(11) . . ? N1 C9 C10 112.9(9) . . ? C9 C10 C11 113.3(9) . . ? C12 C11 C10 114.6(11) . . ? O12 C28 O11 123.9(14) . . ? O12 C28 C27 117.3(15) . . ? O11 C28 C27 118.7(14) . . ? O12 C28 Eu2 59.8(8) . . ? O11 C28 Eu2 64.9(7) . . ? C27 C28 Eu2 171.8(14) . . ? O16 C32 O15 119.6(13) . . ? O16 C32 C31 119.2(13) . . ? O15 C32 C31 120.8(14) . . ? O16 C32 Eu2 61.5(7) . . ? O15 C32 Eu2 58.1(7) . . ? C31 C32 Eu2 175.5(14) . . ? C30 O13 Eu2 89.0(11) . . ? O14 C30 O13 126.7(18) . . ? O14 C30 C29 123(2) . . ? O13 C30 C29 110.3(19) . . ? O14 C30 Eu2 63.9(11) . . ? O13 C30 Eu2 63.2(9) . . ? C29 C30 Eu2 172.2(16) . . ? C32 O16 Eu2 152.5(9) . 2_766 ? C32 O16 Eu2 92.6(8) . . ? Eu2 O16 Eu2 114.8(3) 2_766 . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 1.923 _refine_diff_density_min -1.384 _refine_diff_density_rms 0.294 data_y2 _database_code_depnum_ccdc_archive 'CCDC 869087' #TrackingRef 'Eu4Ni2.CIF' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C22 H20 Eu N7 Ni O7' _chemical_formula_weight 705.12 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' Ni Ni 0.3393 1.1124 '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 ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 12.803(3) _cell_length_b 16.488(3) _cell_length_c 19.716(4) _cell_angle_alpha 90.00 _cell_angle_beta 108.40(3) _cell_angle_gamma 90.00 _cell_volume 3949.3(14) _cell_formula_units_Z 6 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.779 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2088 _exptl_absorpt_coefficient_mu 3.130 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _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 ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 10575 _diffrn_reflns_av_R_equivalents 0.0228 _diffrn_reflns_av_sigmaI/netI 0.0408 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_theta_min 1.65 _diffrn_reflns_theta_max 25.00 _reflns_number_total 6682 _reflns_number_gt 5654 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.0807P)^2^+6.1048P] 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 mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6682 _refine_ls_number_parameters 505 _refine_ls_number_restraints 336 _refine_ls_R_factor_all 0.0449 _refine_ls_R_factor_gt 0.0370 _refine_ls_wR_factor_ref 0.1374 _refine_ls_wR_factor_gt 0.1117 _refine_ls_goodness_of_fit_ref 1.169 _refine_ls_restrained_S_all 1.155 _refine_ls_shift/su_max 0.002 _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 -0.13056(3) 1.208752(18) 0.628532(17) 0.01922(13) Uani 1 1 d U . . Eu2 Eu -0.03016(3) 1.374491(18) 0.506034(17) 0.02160(14) Uani 1 1 d U . . Ni1 Ni -0.24896(7) 1.02606(5) 0.61579(4) 0.0196(2) Uani 1 1 d U . . C2E C -0.1671(6) 1.0963(4) 0.7634(4) 0.0278(16) Uani 1 1 d U . . C1E C 0.0319(6) 1.2091(4) 0.5209(4) 0.0283(16) Uani 1 1 d U . . O17E O -0.0885(4) 1.0705(3) 0.6382(2) 0.0209(9) Uani 1 1 d U . . O16E O -0.1426(4) 1.1643(3) 0.7415(2) 0.0288(11) Uani 1 1 d U . . O15E O 0.0173(4) 1.2436(3) 0.4624(3) 0.0332(12) Uani 1 1 d U . . O13E O -0.2204(4) 1.0384(3) 0.7262(2) 0.0262(10) Uani 1 1 d U . . O12E O -0.1799(4) 1.1496(3) 0.5120(2) 0.0232(10) Uani 1 1 d U . . O11E O -0.0241(5) 1.4089(3) 0.3880(3) 0.0347(12) Uani 1 1 d U . . O10E O -0.1933(4) 1.3207(3) 0.5360(2) 0.0279(11) Uani 1 1 d U . . O9E O -0.3012(4) 1.1452(3) 0.6061(2) 0.0240(10) Uani 1 1 d U . . O8E O -0.2930(4) 1.2959(3) 0.6469(3) 0.0301(11) Uani 1 1 d U . . O7E O -0.2082(5) 1.3320(3) 0.4229(3) 0.0391(13) Uani 1 1 d U . . O6E O 0.0125(4) 1.2465(3) 0.5727(2) 0.0228(10) Uani 1 1 d U . . O5E O 0.0016(4) 1.4259(3) 0.6248(2) 0.0298(11) Uani 1 1 d U . . O3E O -0.1123(4) 1.5066(3) 0.4840(3) 0.0312(11) Uani 1 1 d U . . O2E O -0.0473(4) 1.3283(3) 0.6869(2) 0.0293(11) Uani 1 1 d U . . C1B C -0.4844(6) 1.1269(4) 0.6138(4) 0.0281(16) Uani 1 1 d U . . N1 N -0.4161(5) 0.9920(3) 0.5957(3) 0.0235(12) Uani 1 1 d U . . C15Q C -0.3916(6) 1.2563(4) 0.6386(4) 0.0276(15) Uani 1 1 d U . . O2 O 0.0707(4) 1.1673(3) 0.7115(3) 0.0336(12) Uani 1 1 d U . . C13Q C -0.0760(6) 0.8957(4) 0.6570(4) 0.0284(16) Uani 1 1 d U . . H13A H -0.0538 0.8422 0.6554 0.034 Uiso 1 1 calc R . . C12Q C 0.1893(6) 1.4434(4) 0.5286(4) 0.0307(16) Uani 1 1 d U . . C11Q C -0.0021(6) 1.0362(4) 0.6877(3) 0.0226(14) Uani 1 1 d U . . C10Q C -0.3068(8) 0.7972(5) 0.6178(5) 0.0407(19) Uani 1 1 d U . . H10A H -0.2575 0.7691 0.6586 0.049 Uiso 1 1 calc R . . H10B H -0.3502 0.7566 0.5854 0.049 Uiso 1 1 calc R . . O1Q O -0.2590(4) 1.0273(3) 0.5085(2) 0.0244(10) Uani 1 1 d U . . N2E N -0.1761(5) 0.9116(4) 0.6226(3) 0.0286(13) Uani 1 1 d U . . C8Q C -0.3892(5) 1.1737(4) 0.6195(3) 0.0212(14) Uani 1 1 d U . . C7Q C 0.0866(6) 1.0848(4) 0.7272(4) 0.0271(15) Uani 1 1 d U . . C6Q C 0.0069(6) 0.9516(4) 0.6985(4) 0.0284(15) Uani 1 1 d U . . C5Q C -0.4914(6) 1.0407(4) 0.5975(4) 0.0272(15) Uani 1 1 d U . . H5QA H -0.5613 1.0182 0.5870 0.033 Uiso 1 1 calc R . . C3Q C -0.5791(7) 1.2447(6) 0.6369(5) 0.047(2) Uani 1 1 d U . . H3QA H -0.6423 1.2688 0.6413 0.057 Uiso 1 1 calc R . . C2Q C 0.1797(6) 1.0532(5) 0.7767(4) 0.0358(18) Uani 1 1 d U . . H2QA H 0.2359 1.0868 0.8036 0.043 Uiso 1 1 calc R . . C1Q C -0.5792(6) 1.1648(5) 0.6209(4) 0.0383(18) Uani 1 1 d U . . H1QA H -0.6429 1.1344 0.6144 0.046 Uiso 1 1 calc R . . O1 O 0.1716(5) 1.3700(3) 0.5392(3) 0.0405(13) Uani 1 1 d U . . C15 C -0.2174(5) 1.0834(4) 0.4821(4) 0.0247(14) Uani 1 1 d U . . C13 C -0.0044(6) 1.3953(4) 0.6835(3) 0.0221(14) Uani 1 1 d U . . C12 C -0.3839(6) 0.8510(4) 0.6433(4) 0.0302(16) Uani 1 1 d U . . H12B H -0.3407 0.8840 0.6830 0.036 Uiso 1 1 calc R . . H12C H -0.4322 0.8170 0.6603 0.036 Uiso 1 1 calc R . . C11 C -0.2488(6) 1.3135(4) 0.4710(4) 0.0296(16) Uani 1 1 d U . . C10 C -0.2385(7) 0.8436(4) 0.5800(4) 0.0357(17) Uani 1 1 d U . . H10C H -0.1873 0.8064 0.5690 0.043 Uiso 1 1 calc R . . H10D H -0.2870 0.8645 0.5351 0.043 Uiso 1 1 calc R . . C9 C -0.4826(7) 1.2915(5) 0.6471(5) 0.0375(19) Uani 1 1 d U . . H9A H -0.4816 1.3460 0.6594 0.045 Uiso 1 1 calc R . . C8 C 0.1035(6) 0.9197(5) 0.7471(4) 0.0349(17) Uani 1 1 d U . . H8A H 0.1107 0.8639 0.7536 0.042 Uiso 1 1 calc R . . C7 C -0.4537(6) 0.9065(4) 0.5836(4) 0.0333(17) Uani 1 1 d U . . H7A H -0.4487 0.8882 0.5380 0.040 Uiso 1 1 calc R . . H7B H -0.5302 0.9032 0.5818 0.040 Uiso 1 1 calc R . . C6 C -0.0205(8) 1.3589(5) 0.3293(4) 0.044(2) Uani 1 1 d U . . H6A H -0.0729 1.3791 0.2855 0.053 Uiso 1 1 calc R . . H6B H -0.0416 1.3039 0.3368 0.053 Uiso 1 1 calc R . . C5 C -0.2125(7) 1.0718(5) 0.4072(4) 0.0416(19) Uani 1 1 d U . . H5A H -0.2431 1.0200 0.3893 0.062 Uiso 1 1 calc R . . H5B H -0.1373 1.0743 0.4078 0.062 Uiso 1 1 calc R . . H5C H -0.2540 1.1139 0.3768 0.062 Uiso 1 1 calc R . . C4 C 0.1866(7) 0.9691(5) 0.7850(4) 0.0414(19) Uani 1 1 d U . . H4A H 0.2493 0.9463 0.8171 0.050 Uiso 1 1 calc R . . C3 C 0.0374(8) 1.4439(5) 0.7510(4) 0.046(2) Uani 1 1 d U . . H3A H 0.0272 1.4137 0.7900 0.069 Uiso 1 1 calc R . . H3B H -0.0025 1.4940 0.7456 0.069 Uiso 1 1 calc R . . H3C H 0.1143 1.4551 0.7605 0.069 Uiso 1 1 calc R . . C2 C 0.3018(7) 1.4700(6) 0.5291(5) 0.051(2) Uani 1 1 d U . . H2A H 0.3285 1.5115 0.5645 0.076 Uiso 1 1 calc R . . H2B H 0.2976 1.4911 0.4829 0.076 Uiso 1 1 calc R . . H2C H 0.3510 1.4245 0.5401 0.076 Uiso 1 1 calc R . . C1 C -0.3664(7) 1.2852(5) 0.4513(5) 0.050(2) Uani 1 1 d U . . H1A H -0.3685 1.2314 0.4695 0.075 Uiso 1 1 calc R . . H1B H -0.3984 1.2849 0.4002 0.075 Uiso 1 1 calc R . . H1C H -0.4073 1.3213 0.4716 0.075 Uiso 1 1 calc R . . C26 C 0.0795(7) 1.1241(4) 0.5349(5) 0.0363(18) Uani 1 1 d U . . H26A H 0.0245 1.0854 0.5103 0.054 Uiso 1 1 calc R . . H26B H 0.1022 1.1132 0.5853 0.054 Uiso 1 1 calc R . . H26C H 0.1418 1.1199 0.5179 0.054 Uiso 1 1 calc R . . C25 C -0.1254(8) 1.0830(5) 0.8431(4) 0.0420(19) Uani 1 1 d U . . H25A H -0.1480 1.0304 0.8541 0.063 Uiso 1 1 calc R . . H25B H -0.1552 1.1239 0.8664 0.063 Uiso 1 1 calc R . . H25C H -0.0465 1.0862 0.8596 0.063 Uiso 1 1 calc R . . C23 C -0.2987(7) 1.3824(5) 0.6505(5) 0.045(2) Uani 1 1 d U . . H23A H -0.3670 1.3978 0.6574 0.067 Uiso 1 1 calc R . . H23B H -0.2945 1.4056 0.6068 0.067 Uiso 1 1 calc R . . H23C H -0.2385 1.4019 0.6898 0.067 Uiso 1 1 calc R . . C22 C 0.1664(7) 1.2174(5) 0.7346(5) 0.045(2) Uani 1 1 d U . . H22A H 0.2272 1.1862 0.7640 0.067 Uiso 1 1 calc R . . H22B H 0.1526 1.2622 0.7617 0.067 Uiso 1 1 calc R . . H22C H 0.1836 1.2375 0.6937 0.067 Uiso 1 1 calc R . . C21 C 0.0891(10) 1.3583(8) 0.3220(6) 0.076(3) Uani 1 1 d U . . H21A H 0.0891 1.3246 0.2823 0.114 Uiso 1 1 calc R . . H21B H 0.1407 1.3372 0.3650 0.114 Uiso 1 1 calc R . . H21C H 0.1097 1.4125 0.3140 0.114 Uiso 1 1 calc 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 0.0229(2) 0.0117(2) 0.0244(2) 0.00125(12) 0.00931(17) -0.00373(12) Eu2 0.0270(2) 0.0140(2) 0.0250(2) 0.00143(12) 0.00992(18) -0.00231(13) Ni1 0.0223(5) 0.0119(4) 0.0256(4) -0.0009(3) 0.0090(4) -0.0030(3) C2E 0.033(4) 0.021(3) 0.036(4) 0.003(3) 0.020(3) -0.003(3) C1E 0.035(4) 0.021(3) 0.036(4) 0.004(3) 0.021(3) 0.004(3) O17E 0.021(2) 0.018(2) 0.024(2) 0.0061(18) 0.0065(19) 0.0069(18) O16E 0.038(3) 0.022(2) 0.029(2) 0.000(2) 0.015(2) -0.008(2) O15E 0.046(3) 0.025(3) 0.032(3) 0.003(2) 0.018(2) 0.005(2) O13E 0.033(3) 0.016(2) 0.031(2) -0.0018(19) 0.012(2) -0.006(2) O12E 0.027(2) 0.018(2) 0.024(2) 0.0010(19) 0.007(2) -0.0065(19) O11E 0.054(3) 0.024(3) 0.029(2) -0.004(2) 0.017(2) -0.008(2) O10E 0.031(3) 0.022(2) 0.032(3) -0.001(2) 0.012(2) -0.002(2) O9E 0.024(2) 0.018(2) 0.033(2) 0.0009(19) 0.012(2) -0.0014(19) O8E 0.028(3) 0.014(2) 0.050(3) -0.001(2) 0.014(2) -0.0001(19) O7E 0.044(3) 0.040(3) 0.030(3) 0.002(2) 0.007(2) -0.015(3) O6E 0.022(2) 0.021(2) 0.026(2) 0.0009(19) 0.010(2) -0.0003(18) O5E 0.042(3) 0.020(2) 0.029(2) 0.002(2) 0.013(2) -0.006(2) O3E 0.035(3) 0.024(3) 0.038(3) 0.001(2) 0.017(2) 0.002(2) O2E 0.043(3) 0.015(2) 0.030(2) 0.0013(19) 0.013(2) -0.005(2) C1B 0.031(4) 0.025(4) 0.030(3) -0.001(3) 0.012(3) -0.001(3) N1 0.027(3) 0.019(3) 0.022(3) 0.000(2) 0.004(2) -0.005(2) C15Q 0.033(4) 0.020(3) 0.031(3) -0.002(3) 0.014(3) -0.003(3) O2 0.028(3) 0.029(3) 0.041(3) 0.007(2) 0.005(2) -0.004(2) C13Q 0.032(4) 0.018(3) 0.040(4) 0.002(3) 0.018(3) -0.001(3) C12Q 0.033(4) 0.022(3) 0.039(4) 0.001(3) 0.014(3) 0.004(3) C11Q 0.026(3) 0.019(3) 0.026(3) -0.001(3) 0.013(3) -0.003(3) C10Q 0.047(5) 0.027(4) 0.050(4) -0.005(3) 0.018(4) -0.011(3) O1Q 0.023(2) 0.020(2) 0.030(2) 0.0004(19) 0.007(2) -0.0014(19) N2E 0.039(4) 0.020(3) 0.033(3) -0.006(2) 0.021(3) -0.005(3) C8Q 0.023(3) 0.018(3) 0.027(3) -0.003(3) 0.014(3) 0.000(3) C7Q 0.031(4) 0.023(3) 0.027(3) 0.002(3) 0.009(3) -0.003(3) C6Q 0.029(4) 0.026(3) 0.034(3) 0.004(3) 0.016(3) 0.004(3) C5Q 0.025(4) 0.026(3) 0.032(3) -0.001(3) 0.011(3) -0.009(3) C3Q 0.033(4) 0.049(5) 0.069(5) -0.007(4) 0.028(4) 0.005(3) C2Q 0.025(4) 0.045(4) 0.035(4) 0.012(3) 0.007(3) 0.003(3) C1Q 0.022(4) 0.038(4) 0.055(4) -0.002(4) 0.013(3) -0.001(3) O1 0.035(3) 0.021(3) 0.064(3) 0.011(2) 0.012(3) 0.004(2) C15 0.022(3) 0.026(3) 0.028(3) 0.005(3) 0.010(3) 0.002(3) C13 0.026(3) 0.018(3) 0.022(3) 0.005(3) 0.006(3) -0.002(3) C12 0.033(4) 0.025(4) 0.033(3) 0.003(3) 0.011(3) -0.005(3) C11 0.028(4) 0.022(3) 0.033(4) 0.010(3) 0.001(3) 0.005(3) C10 0.043(4) 0.022(3) 0.048(4) -0.012(3) 0.024(4) -0.006(3) C9 0.037(4) 0.026(4) 0.055(5) -0.005(3) 0.023(4) 0.000(3) C8 0.041(4) 0.028(4) 0.038(4) 0.010(3) 0.015(3) 0.004(3) C7 0.037(4) 0.024(4) 0.039(4) -0.005(3) 0.012(3) -0.011(3) C6 0.059(5) 0.036(4) 0.037(4) -0.002(3) 0.015(4) -0.001(4) C5 0.048(5) 0.045(4) 0.033(4) -0.006(3) 0.015(4) -0.015(4) C4 0.036(4) 0.046(5) 0.037(4) 0.012(4) 0.005(3) 0.014(4) C3 0.061(5) 0.038(4) 0.036(4) -0.003(3) 0.009(4) -0.024(4) C2 0.039(4) 0.048(5) 0.069(5) -0.003(4) 0.023(4) -0.008(4) C1 0.036(4) 0.049(5) 0.061(5) -0.001(4) 0.010(4) -0.018(4) C26 0.043(4) 0.014(3) 0.055(4) 0.007(3) 0.020(4) 0.009(3) C25 0.057(5) 0.032(4) 0.034(4) -0.004(3) 0.009(4) -0.012(4) C23 0.051(5) 0.019(4) 0.071(5) -0.007(4) 0.029(4) -0.002(3) C22 0.033(4) 0.034(4) 0.055(5) 0.001(4) -0.004(4) -0.016(3) C21 0.074(6) 0.080(7) 0.075(6) 0.008(5) 0.026(5) 0.024(5) _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 O9E 2.336(5) . ? Eu1 O17E 2.337(4) . ? Eu1 O2E 2.361(5) . ? Eu1 O12E 2.390(4) . ? Eu1 O16E 2.395(4) . ? Eu1 O6E 2.495(4) . ? Eu1 O10E 2.541(5) . ? Eu1 O8E 2.645(5) . ? Eu1 O2 2.669(5) . ? Eu1 Ni1 3.3458(10) . ? Eu1 Eu2 4.1126(7) . ? Eu2 O3E 2.398(5) . ? Eu2 O5E 2.401(5) . ? Eu2 O11E 2.420(5) . ? Eu2 O7E 2.452(5) . ? Eu2 O6E 2.455(4) . ? Eu2 O1 2.458(6) . ? Eu2 O15E 2.468(5) . ? Eu2 O10E 2.505(5) . ? Eu2 O3E 2.643(5) 3_586 ? Eu2 C1E 2.830(7) . ? Eu2 C11 2.847(8) . ? Eu2 C12Q 2.932(8) . ? Ni1 O9E 2.065(5) . ? Ni1 O1Q 2.078(5) . ? Ni1 N2E 2.091(6) . ? Ni1 O17E 2.092(5) . ? Ni1 O13E 2.100(5) . ? Ni1 N1 2.125(6) . ? C2E O13E 1.264(8) . ? C2E O16E 1.276(8) . ? C2E C25 1.508(10) . ? C1E O15E 1.246(8) . ? C1E O6E 1.283(8) . ? C1E C26 1.518(9) . ? O17E C11Q 1.347(8) . ? O12E C15 1.261(8) . ? O11E C6 1.434(9) . ? O10E C11 1.259(9) . ? O9E C8Q 1.322(7) . ? O8E C15Q 1.385(8) . ? O8E C23 1.431(8) . ? O7E C11 1.254(9) . ? O5E C13 1.287(8) . ? O3E C12Q 1.248(9) 3_586 ? O3E Eu2 2.643(5) 3_586 ? O2E C13 1.244(8) . ? C1B C1Q 1.411(10) . ? C1B C8Q 1.417(9) . ? C1B C5Q 1.454(10) . ? N1 C5Q 1.265(9) . ? N1 C7 1.484(9) . ? C15Q C9 1.358(10) . ? C15Q C8Q 1.415(9) . ? O2 C7Q 1.395(9) . ? O2 C22 1.429(9) . ? C13Q N2E 1.273(10) . ? C13Q C6Q 1.448(11) . ? C12Q O3E 1.248(9) 3_586 ? C12Q O1 1.261(9) . ? C12Q C2 1.502(11) . ? C11Q C7Q 1.407(10) . ? C11Q C6Q 1.410(9) . ? C10Q C10 1.522(10) . ? C10Q C12 1.525(11) . ? O1Q C15 1.259(8) . ? N2E C10 1.476(9) . ? C7Q C2Q 1.383(11) . ? C6Q C8 1.406(11) . ? C3Q C1Q 1.354(12) . ? C3Q C9 1.416(11) . ? C2Q C4 1.397(11) . ? C15 C5 1.511(9) . ? C13 C3 1.500(10) . ? C12 C7 1.535(11) . ? C11 C1 1.506(11) . ? C8 C4 1.360(12) . ? C6 C21 1.454(14) . ? 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 O9E Eu1 O17E 75.83(16) . . ? O9E Eu1 O2E 135.90(16) . . ? O17E Eu1 O2E 135.91(17) . . ? O9E Eu1 O12E 71.80(16) . . ? O17E Eu1 O12E 70.39(15) . . ? O2E Eu1 O12E 138.69(15) . . ? O9E Eu1 O16E 73.01(16) . . ? O17E Eu1 O16E 72.90(16) . . ? O2E Eu1 O16E 87.37(16) . . ? O12E Eu1 O16E 133.92(16) . . ? O9E Eu1 O6E 143.27(15) . . ? O17E Eu1 O6E 95.59(15) . . ? O2E Eu1 O6E 74.06(16) . . ? O12E Eu1 O6E 71.69(15) . . ? O16E Eu1 O6E 139.28(16) . . ? O9E Eu1 O10E 97.20(16) . . ? O17E Eu1 O10E 141.25(15) . . ? O2E Eu1 O10E 74.64(16) . . ? O12E Eu1 O10E 71.25(15) . . ? O16E Eu1 O10E 142.34(16) . . ? O6E Eu1 O10E 67.15(15) . . ? O9E Eu1 O8E 62.67(15) . . ? O17E Eu1 O8E 133.61(15) . . ? O2E Eu1 O8E 74.50(17) . . ? O12E Eu1 O8E 111.90(17) . . ? O16E Eu1 O8E 75.83(17) . . ? O6E Eu1 O8E 130.02(14) . . ? O10E Eu1 O8E 67.65(15) . . ? O9E Eu1 O2 131.71(16) . . ? O17E Eu1 O2 63.06(16) . . ? O2E Eu1 O2 73.46(17) . . ? O12E Eu1 O2 113.29(17) . . ? O16E Eu1 O2 71.61(16) . . ? O6E Eu1 O2 68.48(15) . . ? O10E Eu1 O2 130.66(15) . . ? O8E Eu1 O2 134.75(17) . . ? O9E Eu1 Ni1 37.58(11) . . ? O17E Eu1 Ni1 38.26(11) . . ? O2E Eu1 Ni1 155.87(11) . . ? O12E Eu1 Ni1 65.44(10) . . ? O16E Eu1 Ni1 68.51(12) . . ? O6E Eu1 Ni1 124.73(10) . . ? O10E Eu1 Ni1 124.54(11) . . ? O8E Eu1 Ni1 98.19(10) . . ? O2 Eu1 Ni1 98.17(11) . . ? O9E Eu1 Eu2 129.35(12) . . ? O17E Eu1 Eu2 126.14(10) . . ? O2E Eu1 Eu2 63.55(11) . . ? O12E Eu1 Eu2 75.13(10) . . ? O16E Eu1 Eu2 150.83(12) . . ? O6E Eu1 Eu2 33.51(10) . . ? O10E Eu1 Eu2 35.12(11) . . ? O8E Eu1 Eu2 97.14(11) . . ? O2 Eu1 Eu2 96.31(11) . . ? Ni1 Eu1 Eu2 140.563(19) . . ? O3E Eu2 O5E 77.61(17) . . ? O3E Eu2 O11E 76.02(17) . . ? O5E Eu2 O11E 143.90(16) . . ? O3E Eu2 O7E 82.92(19) . . ? O5E Eu2 O7E 126.01(18) . . ? O11E Eu2 O7E 74.32(18) . . ? O3E Eu2 O6E 152.66(15) . . ? O5E Eu2 O6E 80.81(15) . . ? O11E Eu2 O6E 130.35(16) . . ? O7E Eu2 O6E 96.58(17) . . ? O3E Eu2 O1 116.08(17) . . ? O5E Eu2 O1 84.89(19) . . ? O11E Eu2 O1 85.0(2) . . ? O7E Eu2 O1 147.8(2) . . ? O6E Eu2 O1 78.13(16) . . ? O3E Eu2 O15E 150.82(17) . . ? O5E Eu2 O15E 131.57(16) . . ? O11E Eu2 O15E 77.53(16) . . ? O7E Eu2 O15E 78.26(19) . . ? O6E Eu2 O15E 52.96(15) . . ? O1 Eu2 O15E 73.31(18) . . ? O3E Eu2 O10E 90.77(16) . . ? O5E Eu2 O10E 78.01(16) . . ? O11E Eu2 O10E 126.27(17) . . ? O7E Eu2 O10E 52.25(16) . . ? O6E Eu2 O10E 68.31(15) . . ? O1 Eu2 O10E 144.22(17) . . ? O15E Eu2 O10E 95.04(16) . . ? O3E Eu2 O3E 65.96(19) . 3_586 ? O5E Eu2 O3E 76.44(16) . 3_586 ? O11E Eu2 O3E 70.51(17) . 3_586 ? O7E Eu2 O3E 137.39(17) . 3_586 ? O6E Eu2 O3E 124.50(16) . 3_586 ? O1 Eu2 O3E 50.18(16) . 3_586 ? O15E Eu2 O3E 115.73(16) . 3_586 ? O10E Eu2 O3E 148.49(15) . 3_586 ? O3E Eu2 C1E 170.7(2) . . ? O5E Eu2 C1E 106.45(19) . . ? O11E Eu2 C1E 103.45(18) . . ? O7E Eu2 C1E 88.0(2) . . ? O6E Eu2 C1E 26.92(17) . . ? O1 Eu2 C1E 72.91(19) . . ? O15E Eu2 C1E 26.08(18) . . ? O10E Eu2 C1E 82.08(18) . . ? O3E Eu2 C1E 122.86(19) 3_586 . ? O3E Eu2 C11 86.31(18) . . ? O5E Eu2 C11 102.2(2) . . ? O11E Eu2 C11 100.2(2) . . ? O7E Eu2 C11 26.04(19) . . ? O6E Eu2 C11 82.03(17) . . ? O1 Eu2 C11 157.57(18) . . ? O15E Eu2 C11 86.4(2) . . ? O10E Eu2 C11 26.22(18) . . ? O3E Eu2 C11 152.02(18) 3_586 . ? C1E Eu2 C11 84.7(2) . . ? O3E Eu2 C12Q 91.14(19) . . ? O5E Eu2 C12Q 81.73(19) . . ? O11E Eu2 C12Q 74.63(19) . . ? O7E Eu2 C12Q 148.91(19) . . ? O6E Eu2 C12Q 102.22(18) . . ? O1 Eu2 C12Q 25.15(18) . . ? O15E Eu2 C12Q 93.57(19) . . ? O10E Eu2 C12Q 158.74(18) . . ? O3E Eu2 C12Q 25.19(17) 3_586 . ? C1E Eu2 C12Q 97.7(2) . . ? C11 Eu2 C12Q 174.7(2) . . ? O9E Ni1 O1Q 89.01(18) . . ? O9E Ni1 N2E 171.8(2) . . ? O1Q Ni1 N2E 87.5(2) . . ? O9E Ni1 O17E 87.39(17) . . ? O1Q Ni1 O17E 87.32(17) . . ? N2E Ni1 O17E 85.0(2) . . ? O9E Ni1 O13E 87.07(18) . . ? O1Q Ni1 O13E 171.31(18) . . ? N2E Ni1 O13E 95.3(2) . . ? O17E Ni1 O13E 84.76(18) . . ? O9E Ni1 N1 87.5(2) . . ? O1Q Ni1 N1 94.43(19) . . ? N2E Ni1 N1 100.1(2) . . ? O17E Ni1 N1 174.57(19) . . ? O13E Ni1 N1 93.14(19) . . ? O9E Ni1 Eu1 43.64(13) . . ? O1Q Ni1 Eu1 87.07(13) . . ? N2E Ni1 Eu1 128.70(17) . . ? O17E Ni1 Eu1 43.76(12) . . ? O13E Ni1 Eu1 84.74(12) . . ? N1 Ni1 Eu1 131.12(15) . . ? O13E C2E O16E 127.8(6) . . ? O13E C2E C25 116.3(6) . . ? O16E C2E C25 115.9(7) . . ? O15E C1E O6E 120.5(6) . . ? O15E C1E C26 121.6(6) . . ? O6E C1E C26 117.8(6) . . ? O15E C1E Eu2 60.5(3) . . ? O6E C1E Eu2 60.0(3) . . ? C26 C1E Eu2 172.7(6) . . ? C11Q O17E Ni1 122.3(4) . . ? C11Q O17E Eu1 125.7(4) . . ? Ni1 O17E Eu1 97.98(17) . . ? C2E O16E Eu1 132.8(4) . . ? C1E O15E Eu2 93.4(4) . . ? C2E O13E Ni1 124.1(4) . . ? C15 O12E Eu1 138.4(4) . . ? C6 O11E Eu2 131.3(5) . . ? C11 O10E Eu2 92.2(4) . . ? C11 O10E Eu1 127.6(4) . . ? Eu2 O10E Eu1 109.17(18) . . ? C8Q O9E Ni1 126.3(4) . . ? C8Q O9E Eu1 127.4(4) . . ? Ni1 O9E Eu1 98.79(18) . . ? C15Q O8E C23 114.6(6) . . ? C15Q O8E Eu1 117.0(4) . . ? C23 O8E Eu1 127.1(4) . . ? C11 O7E Eu2 94.8(4) . . ? C1E O6E Eu2 93.0(4) . . ? C1E O6E Eu1 125.8(4) . . ? Eu2 O6E Eu1 112.37(17) . . ? C13 O5E Eu2 134.4(4) . . ? C12Q O3E Eu2 155.4(5) 3_586 . ? C12Q O3E Eu2 90.5(4) 3_586 3_586 ? Eu2 O3E Eu2 114.04(19) . 3_586 ? C13 O2E Eu1 148.6(4) . . ? C1Q C1B C8Q 119.8(6) . . ? C1Q C1B C5Q 117.3(7) . . ? C8Q C1B C5Q 122.8(6) . . ? C5Q N1 C7 113.3(6) . . ? C5Q N1 Ni1 124.0(5) . . ? C7 N1 Ni1 122.5(4) . . ? C9 C15Q O8E 124.7(6) . . ? C9 C15Q C8Q 122.4(6) . . ? O8E C15Q C8Q 112.9(6) . . ? C7Q O2 C22 116.3(6) . . ? C7Q O2 Eu1 115.5(4) . . ? C22 O2 Eu1 127.8(5) . . ? N2E C13Q C6Q 127.2(7) . . ? O3E C12Q O1 119.7(7) 3_586 . ? O3E C12Q C2 120.2(7) 3_586 . ? O1 C12Q C2 120.1(7) . . ? O3E C12Q Eu2 64.3(4) 3_586 . ? O1 C12Q Eu2 55.9(4) . . ? C2 C12Q Eu2 170.0(6) . . ? O17E C11Q C7Q 119.8(6) . . ? O17E C11Q C6Q 122.2(6) . . ? C7Q C11Q C6Q 117.9(7) . . ? C10 C10Q C12 113.7(6) . . ? C15 O1Q Ni1 121.9(4) . . ? C13Q N2E C10 114.8(6) . . ? C13Q N2E Ni1 125.0(5) . . ? C10 N2E Ni1 119.9(5) . . ? O9E C8Q C15Q 119.2(6) . . ? O9E C8Q C1B 123.8(6) . . ? C15Q C8Q C1B 117.0(6) . . ? C2Q C7Q O2 123.9(7) . . ? C2Q C7Q C11Q 122.8(7) . . ? O2 C7Q C11Q 113.4(6) . . ? C8 C6Q C11Q 119.0(7) . . ? C8 C6Q C13Q 118.5(7) . . ? C11Q C6Q C13Q 122.3(7) . . ? N1 C5Q C1B 129.3(6) . . ? C1Q C3Q C9 120.0(7) . . ? C7Q C2Q C4 117.7(8) . . ? C3Q C1Q C1B 121.0(7) . . ? C12Q O1 Eu2 98.9(4) . . ? O1Q C15 O12E 126.3(6) . . ? O1Q C15 C5 117.7(6) . . ? O12E C15 C5 116.0(6) . . ? O2E C13 O5E 123.3(6) . . ? O2E C13 C3 117.8(6) . . ? O5E C13 C3 118.9(6) . . ? C10Q C12 C7 112.0(6) . . ? O7E C11 O10E 120.7(7) . . ? O7E C11 C1 120.0(7) . . ? O10E C11 C1 119.3(7) . . ? O7E C11 Eu2 59.1(4) . . ? O10E C11 Eu2 61.6(4) . . ? C1 C11 Eu2 177.2(6) . . ? N2E C10 C10Q 113.2(6) . . ? C15Q C9 C3Q 119.6(7) . . ? C4 C8 C6Q 121.2(7) . . ? N1 C7 C12 111.3(6) . . ? O11E C6 C21 111.2(8) . . ? C8 C4 C2Q 121.4(8) . . ? _diffrn_measured_fraction_theta_max 0.960 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.912 _refine_diff_density_max 1.888 _refine_diff_density_min -1.617 _refine_diff_density_rms 0.247