# Supplementary Material (ESI) for Dalton Transactions # This journal is (c) The Royal Society of Chemistry 2009 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _publ_contact_author_name 'Chenxia Du' _publ_contact_author_email DCX@ZZU.EDU.CN _publ_section_title ; Synthesis, structures, photo- and electro-luminescent properties of novel oxadiazole-functionlized europium(III) benzamide complexes ; loop_ _publ_author_name 'Chenxia Du' 'Yanhui Hou' 'Yangjie Wu' 'Fuli Zhang' # Attachment 'cif-complex1.cif' data_i41a _database_code_depnum_ccdc_archive 'CCDC 705013' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C96 H72 Cl6 Eu2 N18 Na2 O16' _chemical_formula_weight 2296.32 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' 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' Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Tetragonal _symmetry_space_group_name_H-M I4(1)/a loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-y+3/4, x+1/4, z+1/4' 'y+3/4, -x+3/4, z+3/4' 'x+1/2, y+1/2, z+1/2' '-x+1, -y+1/2, z+1' '-y+5/4, x+3/4, z+3/4' 'y+5/4, -x+5/4, z+5/4' '-x, -y, -z' 'x-1/2, y, -z-1/2' 'y-3/4, -x-1/4, -z-1/4' '-y-3/4, x-3/4, -z-3/4' '-x+1/2, -y+1/2, -z+1/2' 'x, y+1/2, -z' 'y-1/4, -x+1/4, -z+1/4' '-y-1/4, x-1/4, -z-1/4' _cell_length_a 38.557(6) _cell_length_b 38.557(6) _cell_length_c 13.363(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 19866(6) _cell_formula_units_Z 8 _cell_measurement_temperature 291(2) _cell_measurement_reflns_used 223 _cell_measurement_theta_min 2.50 _cell_measurement_theta_max 25.00 _exptl_crystal_description prismatic _exptl_crystal_colour 'pale yellow' _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.536 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 9216 _exptl_absorpt_coefficient_mu 1.495 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.7542 _exptl_absorpt_correction_T_max 0.8069 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 291(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 Rigaku-Raxis-IV _diffrn_measurement_method 'Oscillation frames' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 24599 _diffrn_reflns_av_R_equivalents 0.0612 _diffrn_reflns_av_sigmaI/netI 0.0786 _diffrn_reflns_limit_h_min -32 _diffrn_reflns_limit_h_max 45 _diffrn_reflns_limit_k_min -45 _diffrn_reflns_limit_k_max 33 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.49 _diffrn_reflns_theta_max 25.00 _reflns_number_total 8215 _reflns_number_gt 5986 _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^)+(0.0813P)^2^+2.5400P] 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 noref _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.000026(9) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 8215 _refine_ls_number_parameters 623 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.1355 _refine_ls_R_factor_gt 0.0719 _refine_ls_wR_factor_ref 0.1623 _refine_ls_wR_factor_gt 0.1433 _refine_ls_goodness_of_fit_ref 1.147 _refine_ls_restrained_S_all 1.149 _refine_ls_shift/su_max 0.006 _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 -0.292447(6) 0.736586(7) 0.30984(2) 0.04624(7) Uani 1 1 d . . . Na1 Na -0.20506(6) 0.70268(6) 0.4180(2) 0.0745(8) Uani 1 1 d . . . O1 O -0.33304(10) 0.74674(10) 0.1746(3) 0.0694(12) Uani 1 1 d . . . O2 O -0.30343(11) 0.65642(11) 0.0455(3) 0.0746(13) Uani 1 1 d . . . O3 O -0.31936(10) 0.78789(10) 0.3697(3) 0.0654(12) Uani 1 1 d . . . O4 O -0.25394(10) 0.79047(9) 0.6074(3) 0.0562(11) Uani 1 1 d . . . O5 O -0.34424(10) 0.71628(11) 0.3797(4) 0.0833(15) Uani 1 1 d . . . O6 O -0.29912(10) 0.62644(10) 0.4647(3) 0.0723(14) Uani 1 1 d . . . O7 O -0.23508(9) 0.71986(9) 0.2832(3) 0.0546(11) Uani 1 1 d . . . O8 O -0.15764(18) 0.67442(19) 0.4737(8) 0.0751(14) Uani 1 1 d . . . N1 N -0.34274(12) 0.70014(12) 0.0715(4) 0.0662(15) Uani 1 1 d . . . N2 N -0.29304(12) 0.68892(11) 0.1775(4) 0.0606(14) Uani 1 1 d . . . N3 N -0.26689(13) 0.66388(12) 0.1702(4) 0.0723(16) Uani 1 1 d . . . N4 N -0.30120(12) 0.80888(11) 0.5229(4) 0.0591(14) Uani 1 1 d . . . N5 N -0.26451(11) 0.76042(11) 0.4709(3) 0.0512(12) Uani 1 1 d . . . N6 N -0.23459(10) 0.74685(11) 0.5176(3) 0.0461(11) Uani 1 1 d . . . N7 N -0.34499(12) 0.66371(13) 0.4608(4) 0.0672(16) Uani 1 1 d . . . N8 N -0.28559(11) 0.67875(11) 0.4120(4) 0.0554(13) Uani 1 1 d . . . N9 N -0.25539(12) 0.65922(12) 0.4165(4) 0.0667(15) Uani 1 1 d . . . C1 C -0.40208(19) 0.7678(2) 0.1474(7) 0.099(3) Uani 1 1 d . . . H1A H -0.3928 0.7726 0.2101 0.119 Uiso 1 1 calc R . . C2 C -0.4336(2) 0.7834(2) 0.1187(9) 0.108(4) Uani 1 1 d . . . H2A H -0.4453 0.7982 0.1620 0.170 Uiso 1 1 calc R . . C3 C -0.4463(2) 0.7763(3) 0.0259(9) 0.0962(11) Uani 1 1 d . . . H3A H -0.4667 0.7871 0.0056 0.175 Uiso 1 1 calc R . . C4 C -0.4304(2) 0.7545(2) -0.0373(8) 0.108(4) Uani 1 1 d . . . H4A H -0.4396 0.7503 -0.1005 0.166 Uiso 1 1 calc R . . C5 C -0.40044(18) 0.73838(19) -0.0075(6) 0.090(2) Uani 1 1 d . . . H5A H -0.3903 0.7222 -0.0501 0.108 Uiso 1 1 calc R . . C6 C -0.38468(16) 0.74517(16) 0.0835(5) 0.071(2) Uani 1 1 d . . . C7 C -0.35155(14) 0.72964(15) 0.1164(5) 0.0567(17) Uani 1 1 d . . . C8 C -0.31400(15) 0.68429(14) 0.1023(5) 0.0568(16) Uani 1 1 d . . . C9 C -0.27437(16) 0.64560(15) 0.0937(5) 0.0617(18) Uani 1 1 d . . . C10 C -0.25547(17) 0.61569(16) 0.0559(5) 0.074(2) Uani 1 1 d . . . C11 C -0.2691(2) 0.5934(2) -0.0135(7) 0.102(3) Uani 1 1 d . . . H11A H -0.2909 0.5978 -0.0399 0.147 Uiso 1 1 calc R . . C12 C -0.2507(3) 0.5639(2) -0.0455(8) 0.102(4) Uani 1 1 d . . . H12A H -0.2604 0.5483 -0.0906 0.197 Uiso 1 1 calc R . . C13 C -0.2179(3) 0.5591(2) -0.0075(8) 0.0973(17) Uani 1 1 d . . . H13A H -0.2048 0.5404 -0.0300 0.159 Uiso 1 1 calc R . . C14 C -0.2043(2) 0.58031(19) 0.0604(8) 0.113(3) Uani 1 1 d . . . H14A H -0.1822 0.5763 0.0854 0.135 Uiso 1 1 calc R . . C15 C -0.22312(19) 0.60803(17) 0.0932(6) 0.088(3) Uani 1 1 d . . . H15A H -0.2137 0.6222 0.1425 0.106 Uiso 1 1 calc R . . C16 C -0.36722(19) 0.8407(2) 0.3498(6) 0.096(3) Uani 1 1 d . . . H16A H -0.3623 0.8266 0.2950 0.115 Uiso 1 1 calc R . . C17 C -0.3915(2) 0.8672(2) 0.3399(7) 0.119(3) Uani 1 1 d . . . H17A H -0.4017 0.8718 0.2784 0.143 Uiso 1 1 calc R . . C18 C -0.4000(2) 0.8864(2) 0.4240(7) 0.0961(17) Uani 1 1 d . . . H18A H -0.4167 0.9037 0.4194 0.156 Uiso 1 1 calc R . . C19 C -0.3842(2) 0.8802(2) 0.5127(7) 0.0882(16) Uani 1 1 d . . . H19A H -0.3907 0.8928 0.5690 0.145 Uiso 1 1 calc R . . C20 C -0.35798(18) 0.85473(18) 0.5199(6) 0.090(2) Uani 1 1 d . . . H20A H -0.3460 0.8515 0.5796 0.108 Uiso 1 1 calc R . . C21 C -0.35041(15) 0.83486(15) 0.4382(5) 0.0666(18) Uani 1 1 d . . . C22 C -0.32191(14) 0.80800(14) 0.4419(5) 0.0591(17) Uani 1 1 d . . . C23 C -0.27526(14) 0.78654(14) 0.5256(4) 0.0532(16) Uani 1 1 d . . . C24 C -0.22953(13) 0.76563(13) 0.5965(4) 0.0495(15) Uani 1 1 d . . . C25 C -0.20314(14) 0.76204(15) 0.6739(4) 0.0604(17) Uani 1 1 d . . . C26 C -0.20637(17) 0.77909(17) 0.7639(5) 0.071(2) Uani 1 1 d . . . H26A H -0.2253 0.7935 0.7754 0.085 Uiso 1 1 calc R . . C27 C -0.18128(19) 0.7748(2) 0.8378(5) 0.091(2) Uani 1 1 d . . . H27A H -0.1842 0.7852 0.8999 0.109 Uiso 1 1 calc R . . C28 C -0.1530(2) 0.7557(2) 0.8199(6) 0.100(3) Uani 1 1 d . . . H28A H -0.1356 0.7541 0.8679 0.120 Uiso 1 1 calc R . . C29 C -0.1497(2) 0.7385(3) 0.7309(6) 0.126(3) Uani 1 1 d . . . H29A H -0.1307 0.7240 0.7201 0.151 Uiso 1 1 calc R . . C30 C -0.17383(18) 0.7425(2) 0.6589(6) 0.096(3) Uani 1 1 d . . . H30A H -0.1705 0.7318 0.5973 0.116 Uiso 1 1 calc R . . C31 C -0.41029(16) 0.73157(19) 0.4392(6) 0.082(2) Uani 1 1 d . . . H31A H -0.3981 0.7477 0.4012 0.099 Uiso 1 1 calc R . . C32 C -0.44344(19) 0.7388(2) 0.4699(6) 0.106(3) Uani 1 1 d . . . H32A H -0.4540 0.7595 0.4517 0.127 Uiso 1 1 calc R . . C33 C -0.46095(18) 0.7149(2) 0.5279(7) 0.107(3) Uani 1 1 d . . . H33A H -0.4834 0.7197 0.5488 0.129 Uiso 1 1 calc R . . C34 C -0.44629(19) 0.6850(2) 0.5547(7) 0.098(3) Uani 1 1 d . . . H34A H -0.4582 0.6694 0.5949 0.118 Uiso 1 1 calc R . . C35 C -0.41348(17) 0.67759(19) 0.5223(6) 0.084(2) Uani 1 1 d . . . H35A H -0.4035 0.6565 0.5397 0.101 Uiso 1 1 calc R . . C36 C -0.39482(15) 0.70044(15) 0.4647(5) 0.0594(17) Uani 1 1 d . . . C37 C -0.35893(15) 0.69307(16) 0.4310(5) 0.0656(18) Uani 1 1 d . . . C38 C -0.31066(15) 0.65875(14) 0.4425(5) 0.0578(16) Uani 1 1 d . . . C39 C -0.26470(15) 0.62872(16) 0.4453(5) 0.0637(18) Uani 1 1 d . . . C40 C -0.24320(18) 0.59717(16) 0.4616(5) 0.075(2) Uani 1 1 d . . . C41 C -0.2566(2) 0.56734(19) 0.5027(7) 0.102(3) Uani 1 1 d . . . H41A H -0.2797 0.5666 0.5223 0.123 Uiso 1 1 calc R . . C42 C -0.2363(2) 0.5392(2) 0.5148(7) 0.101(3) Uani 1 1 d . . . H42A H -0.2459 0.5191 0.5420 0.138 Uiso 1 1 calc R . . C43 C -0.2027(3) 0.5393(2) 0.4886(8) 0.113(4) Uani 1 1 d . . . H43A H -0.1891 0.5196 0.4971 0.151 Uiso 1 1 calc R . . C44 C -0.1886(2) 0.5692(2) 0.4491(9) 0.139(4) Uani 1 1 d . . . H44A H -0.1651 0.5699 0.4332 0.166 Uiso 1 1 calc R . . C45 C -0.2086(2) 0.59740(19) 0.4333(7) 0.108(3) Uani 1 1 d . . . H45A H -0.1991 0.6170 0.4034 0.129 Uiso 1 1 calc R . . C46 C -0.2198(2) 0.6367(2) -1.2346(9) 0.146(5) Uani 1 1 d D . . H46A H -0.2169 0.6441 -1.1649 0.176 Uiso 1 1 calc R . . C48 C -0.1122(3) 0.6345(3) 0.4661(11) 0.126(7) Uani 1 1 d . . . H48A H -0.0952 0.6251 0.5112 0.307 Uiso 1 1 calc R . . H48B H -0.1007 0.6454 0.4108 0.307 Uiso 1 1 calc R . . H48C H -0.1268 0.6161 0.4418 0.307 Uiso 1 1 calc R . . C47 C -0.13284(9) 0.65936(8) 0.5173(3) 0.097(10) Uani 1 1 d . . . H47B H -0.1424 0.6480 0.5759 0.327 Uiso 1 1 calc R . . H47A H -0.1173 0.6773 0.5414 0.327 Uiso 1 1 calc R . . Cl1 Cl -0.26360(9) 0.62726(8) -1.2551(3) 0.335(4) Uani 1 1 d RD . . Cl2 Cl -0.19001(9) 0.60688(8) -1.2608(3) 0.397(3) Uani 1 1 d RD . . Cl3 Cl -0.21027(9) 0.66907(8) -1.3073(3) 0.349(3) Uani 1 1 d RD . . 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 0.04440(14) 0.04930(14) 0.04503(14) -0.00425(13) -0.00523(13) 0.00095(12) Na1 0.0740(15) 0.0730(14) 0.0765(18) -0.0090(13) -0.0133(13) 0.0122(12) O1 0.071(2) 0.065(2) 0.072(3) -0.014(2) -0.031(2) 0.007(2) O2 0.086(3) 0.074(3) 0.064(3) -0.023(2) -0.021(2) 0.003(2) O3 0.065(2) 0.072(2) 0.059(3) -0.015(2) -0.012(2) 0.028(2) O4 0.071(2) 0.053(2) 0.045(2) -0.0108(17) -0.0090(19) 0.0107(18) O5 0.055(2) 0.085(3) 0.110(4) 0.034(3) 0.013(2) 0.006(2) O6 0.072(3) 0.056(2) 0.088(3) 0.007(2) 0.005(2) 0.000(2) O7 0.0482(19) 0.056(2) 0.060(3) 0.0068(18) 0.0027(18) 0.007(17) O8 0.092(5) 0.065(5) 0.069(12) -0.006(6) -0.006(6) 0.067(4) N1 0.063(3) 0.059(3) 0.076(4) -0.012(3) -0.021(3) -0.002(2) N2 0.060(3) 0.054(3) 0.068(3) -0.010(2) -0.018(3) 0.007(2) N3 0.077(3) 0.056(3) 0.084(4) -0.011(3) -0.021(3) 0.008(3) N4 0.075(3) 0.056(3) 0.047(3) -0.010(2) -0.009(2) 0.020(2) N5 0.060(3) 0.050(2) 0.044(3) -0.005(2) -0.002(2) 0.007(2) N6 0.045(2) 0.053(2) 0.040(2) -0.004(2) -0.009(2) 0.0048(19) N7 0.059(3) 0.075(3) 0.068(4) 0.007(3) 0.007(3) -0.009(2) N8 0.053(2) 0.055(3) 0.059(3) 0.007(2) 0.003(2) -0.001(2) N9 0.057(3) 0.054(3) 0.088(4) 0.018(3) 0.000(3) 0.007(2) C1 0.084(5) 0.109(6) 0.105(6) -0.004(5) 0.001(5) 0.014(4) C2 0.087(6) 0.118(7) 0.119(11) 0.005(8) 0.001(7) 0.034(5) C3 0.084(5) 0.103(8) 0.103(11) 0.006(8) 0.001(6) 0.033(6) C4 0.090(6) 0.119(7) 0.116(8) 0.006(6) 0.001(6) 0.024(6) C5 0.088(5) 0.090(5) 0.092(6) 0.002(4) -0.033(4) -0.001(4) C6 0.061(3) 0.074(4) 0.077(5) 0.004(4) -0.017(3) 0.001(3) C7 0.051(3) 0.063(3) 0.056(4) -0.005(3) -0.010(3) -0.003(3) C8 0.064(3) 0.051(3) 0.056(4) -0.009(3) -0.006(3) -0.008(3) C9 0.070(4) 0.061(3) 0.054(4) -0.005(3) -0.011(3) -0.002(3) C10 0.080(4) 0.067(4) 0.075(5) -0.018(4) -0.001(4) 0.006(3) C11 0.104(6) 0.074(5) 0.130(7) -0.001(5) 0.008(6) 0.022(5) C12 0.105(9) 0.074(7) 0.126(9) -0.001(6) 0.009(7) 0.031(7) C13 0.098(7) 0.077(6) 0.117(8) 0.000(6) 0.007(7) 0.022(6) C14 0.094(5) 0.077(5) 0.167(9) 0.000(6) 0.007(6) 0.012(4) C15 0.093(5) 0.063(4) 0.110(6) -0.009(4) -0.009(5) 0.008(4) C16 0.092(5) 0.109(5) 0.087(6) -0.004(5) -0.017(4) 0.036(4) C17 0.110(5) 0.123(6) 0.124(7) -0.013(5) -0.040(5) 0.060(5) C18 0.096(6) 0.091(6) 0.101(8) -0.007(6) -0.007(6) 0.055(5) C19 0.093(6) 0.084(5) 0.086(7) -0.005(5) -0.002(6) 0.048(5) C20 0.095(5) 0.088(4) 0.087(5) -0.006(4) -0.003(4) 0.040(4) C21 0.063(3) 0.067(4) 0.070(4) -0.004(3) -0.008(3) 0.017(3) C22 0.062(3) 0.051(3) 0.064(4) 0.007(3) 0.016(3) 0.009(3) C23 0.060(3) 0.057(3) 0.042(3) 0.003(3) -0.006(3) -0.002(3) C24 0.049(3) 0.058(3) 0.041(3) 0.003(3) -0.004(2) 0.004(3) C25 0.058(3) 0.075(4) 0.049(4) -0.009(3) -0.009(3) -0.003(3) C26 0.070(4) 0.084(4) 0.058(4) -0.011(3) -0.006(3) -0.009(3) C27 0.103(5) 0.114(6) 0.055(4) -0.018(4) -0.022(4) -0.005(5) C28 0.091(5) 0.132(6) 0.077(5) 0.002(5) -0.040(4) 0.007(5) C29 0.109(5) 0.179(8) 0.088(6) -0.042(6) -0.049(5) 0.059(5) C30 0.082(4) 0.145(6) 0.062(5) -0.024(4) -0.025(4) 0.045(4) C31 0.060(4) 0.104(5) 0.083(5) -0.005(4) 0.003(4) 0.005(4) C32 0.075(5) 0.146(7) 0.096(6) 0.001(5) 0.002(4) 0.039(5) C33 0.057(4) 0.139(7) 0.126(7) -0.035(6) 0.024(4) -0.010(4) C34 0.076(4) 0.097(5) 0.122(7) -0.014(5) 0.025(5) -0.009(4) C35 0.069(4) 0.085(5) 0.098(6) -0.016(4) 0.020(4) -0.010(4) C36 0.058(3) 0.066(4) 0.055(4) -0.005(3) 0.004(3) -0.011(3) C37 0.054(3) 0.076(4) 0.066(4) -0.008(4) -0.005(3) -0.005(3) C38 0.066(3) 0.055(3) 0.052(4) 0.005(3) -0.004(3) 0.001(3) C39 0.062(3) 0.072(4) 0.057(4) 0.004(3) 0.003(3) 0.008(3) C40 0.087(4) 0.058(4) 0.080(5) 0.000(3) 0.001(4) 0.015(3) C41 0.092(5) 0.090(5) 0.125(7) 0.038(5) -0.002(5) 0.015(4) C42 0.105(7) 0.080(5) 0.118(7) 0.010(5) 0.013(6) 0.047(5) C43 0.104(7) 0.086(5) 0.150(9) 0.008(6) 0.015(7) 0.042(5) C44 0.103(6) 0.099(6) 0.214(12) 0.009(7) 0.021(7) 0.045(5) C45 0.104(6) 0.070(4) 0.149(8) -0.003(5) 0.015(6) 0.028(4) C46 0.161(9) 0.100(7) 0.178(11) 0.002(7) 0.014(8) 0.002(6) C48 0.111(10) 0.179(13) 0.089(16) -0.034(12) -0.049(11) 0.067(10) C47 0.082(9) 0.132(13) 0.077(13) -0.028(16) -0.029(14) 0.047(9) Cl1 0.385(8) 0.291(6) 0.330(8) -0.024(6) 0.008(7) -0.064(6) Cl2 0.582(7) 0.353(5) 0.256(6) -0.088(5) -0.076(6) 0.317(5) Cl3 0.430(6) 0.199(4) 0.419(7) 0.034(4) 0.271(5) 0.066(4) _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 O7 2.331(3) . ? Eu1 O5 2.339(4) . ? Eu1 O7 2.344(4) 13_465 ? Eu1 O3 2.372(4) . ? Eu1 O1 2.423(4) . ? Eu1 N2 2.551(5) . ? Eu1 N5 2.577(4) . ? Eu1 N8 2.628(4) . ? Na1 O7 2.241(4) . ? Na1 O8 2.255(7) . ? Na1 N6 2.443(5) . ? Na1 N9 2.564(5) . ? Na1 O1 2.738(5) 13_465 ? Na1 Eu1 3.842(3) 13_465 ? O1 C7 1.245(7) . ? O1 Na1 2.737(5) 13_465 ? O2 C9 1.358(7) . ? O2 C8 1.377(7) . ? O3 C22 1.242(7) . ? O4 C24 1.351(6) . ? O4 C23 1.376(6) . ? O5 C37 1.262(7) . ? O6 C39 1.355(7) . ? O6 C38 1.356(7) . ? O7 Eu1 2.344(4) 13_465 ? O8 C47 1.261(8) . ? N1 C7 1.330(7) . ? N1 C8 1.331(7) . ? N2 C8 1.301(7) . ? N2 N3 1.400(6) . ? N3 C9 1.275(8) . ? N4 C23 1.320(7) . ? N4 C22 1.346(8) . ? N5 C23 1.312(7) . ? N5 N6 1.412(6) . ? N6 C24 1.294(7) . ? N7 C37 1.315(8) . ? N7 C38 1.359(7) . ? N8 C38 1.302(7) . ? N8 N9 1.388(6) . ? N9 C39 1.289(7) . ? C1 C6 1.392(10) . ? C1 C2 1.409(11) . ? C1 H1A 0.9300 . ? C2 C3 1.361(15) . ? C2 H2A 0.9300 . ? C3 C4 1.341(14) . ? C3 H3A 0.9300 . ? C4 C5 1.371(10) . ? C4 H4A 0.9300 . ? C5 C6 1.385(10) . ? C5 H5A 0.9300 . ? C6 C7 1.477(8) . ? C9 C10 1.455(8) . ? C10 C11 1.369(10) . ? C10 C15 1.375(10) . ? C11 C12 1.405(12) . ? C11 H11A 0.9300 . ? C12 C13 1.375(13) . ? C12 H12A 0.9300 . ? C13 C14 1.329(13) . ? C13 H13A 0.9300 . ? C14 C15 1.363(10) . ? C14 H14A 0.9300 . ? C15 H15A 0.9300 . ? C16 C21 1.366(10) . ? C16 C17 1.390(10) . ? C16 H16A 0.9300 . ? C17 C18 1.385(12) . ? C17 H17A 0.9300 . ? C18 C19 1.352(13) . ? C18 H18A 0.9300 . ? C19 C20 1.414(10) . ? C19 H19A 0.9300 . ? C20 C21 1.366(10) . ? C20 H20A 0.9300 . ? C21 C22 1.511(8) . ? C24 C25 1.458(8) . ? C25 C30 1.372(9) . ? C25 C26 1.376(8) . ? C26 C27 1.392(9) . ? C26 H26A 0.9300 . ? C27 C28 1.338(10) . ? C27 H27A 0.9300 . ? C28 C29 1.367(11) . ? C28 H28A 0.9300 . ? C29 C30 1.349(10) . ? C29 H29A 0.9300 . ? C30 H30A 0.9300 . ? C31 C32 1.370(9) . ? C31 C36 1.383(9) . ? C31 H31A 0.9300 . ? C32 C33 1.381(12) . ? C32 H32A 0.9300 . ? C33 C34 1.331(11) . ? C33 H33A 0.9300 . ? C34 C35 1.368(9) . ? C34 H34A 0.9300 . ? C35 C36 1.373(9) . ? C35 H35A 0.9300 . ? C36 C37 1.483(8) . ? C39 C40 1.488(8) . ? C40 C41 1.375(10) . ? C40 C45 1.388(10) . ? C41 C42 1.347(10) . ? C41 H41A 0.9300 . ? C42 C43 1.343(12) . ? C42 H42A 0.9300 . ? C43 C44 1.378(13) . ? C43 H43A 0.9300 . ? C44 C45 1.351(11) . ? C44 H44A 0.9300 . ? C45 H45A 0.9300 . ? C46 Cl3 1.624(9) . ? C46 Cl2 1.665(8) . ? C46 Cl1 1.748(9) . ? C46 H46A 0.9800 . ? C48 C47 1.421(12) . ? C48 H48A 0.9600 . ? C48 H48B 0.9600 . ? C48 H48C 0.9600 . ? C47 H47B 0.9700 . ? C47 H47A 0.9700 . ? 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 O7 Eu1 O5 141.11(14) . . ? O7 Eu1 O7 71.80(14) . 13_465 ? O5 Eu1 O7 146.93(13) . 13_465 ? O7 Eu1 O3 134.20(13) . . ? O5 Eu1 O3 76.77(15) . . ? O7 Eu1 O3 77.25(13) 13_465 . ? O7 Eu1 O1 122.94(14) . . ? O5 Eu1 O1 78.46(16) . . ? O7 Eu1 O1 77.36(13) 13_465 . ? O3 Eu1 O1 80.45(13) . . ? O7 Eu1 N2 72.74(14) . . ? O5 Eu1 N2 91.60(16) . . ? O7 Eu1 N2 98.77(14) 13_465 . ? O3 Eu1 N2 146.14(14) . . ? O1 Eu1 N2 66.00(14) . . ? O7 Eu1 N5 80.19(13) . . ? O5 Eu1 N5 98.22(16) . . ? O7 Eu1 N5 89.90(13) 13_465 . ? O3 Eu1 N5 66.67(13) . . ? O1 Eu1 N5 146.70(13) . . ? N2 Eu1 N5 147.15(14) . . ? O7 Eu1 N8 75.47(13) . . ? O5 Eu1 N8 66.09(14) . . ? O7 Eu1 N8 146.94(13) 13_465 . ? O3 Eu1 N8 125.20(14) . . ? O1 Eu1 N8 126.13(14) . . ? N2 Eu1 N8 75.52(15) . . ? N5 Eu1 N8 80.01(14) . . ? O7 Na1 O8 145.8(3) . . ? O7 Na1 N6 89.49(16) . . ? O8 Na1 N6 122.3(3) . . ? O7 Na1 N9 78.21(16) . . ? O8 Na1 N9 107.5(2) . . ? N6 Na1 N9 96.16(17) . . ? O7 Na1 O1 72.74(14) . 13_465 ? O8 Na1 O1 93.4(3) . 13_465 ? N6 Na1 O1 89.98(15) . 13_465 ? N9 Na1 O1 150.24(18) . 13_465 ? O7 Na1 Eu1 33.91(10) . 13_465 ? O8 Na1 Eu1 125.2(3) . 13_465 ? N6 Na1 Eu1 89.72(12) . 13_465 ? N9 Na1 Eu1 111.89(14) . 13_465 ? O1 Na1 Eu1 38.83(9) 13_465 13_465 ? C7 O1 Eu1 138.7(4) . . ? C7 O1 Na1 113.7(4) . 13_465 ? Eu1 O1 Na1 96.06(14) . 13_465 ? C9 O2 C8 102.8(4) . . ? C22 O3 Eu1 144.8(4) . . ? C24 O4 C23 104.6(4) . . ? C37 O5 Eu1 146.9(4) . . ? C39 O6 C38 102.7(4) . . ? Na1 O7 Eu1 116.68(17) . . ? Na1 O7 Eu1 113.84(16) . 13_465 ? Eu1 O7 Eu1 108.20(14) . 13_465 ? C47 O8 Na1 171.8(8) . . ? C7 N1 C8 117.8(5) . . ? C8 N2 N3 107.4(5) . . ? C8 N2 Eu1 129.8(4) . . ? N3 N2 Eu1 122.6(3) . . ? C9 N3 N2 105.9(5) . . ? C23 N4 C22 117.1(5) . . ? C23 N5 N6 107.3(4) . . ? C23 N5 Eu1 127.4(4) . . ? N6 N5 Eu1 125.3(3) . . ? C24 N6 N5 106.0(4) . . ? C24 N6 Na1 139.8(3) . . ? N5 N6 Na1 113.5(3) . . ? C37 N7 C38 117.7(5) . . ? C38 N8 N9 106.8(4) . . ? C38 N8 Eu1 126.2(4) . . ? N9 N8 Eu1 124.5(3) . . ? C39 N9 N8 105.9(5) . . ? C39 N9 Na1 143.6(4) . . ? N8 N9 Na1 106.3(3) . . ? C6 C1 C2 121.1(9) . . ? C6 C1 H1A 119.5 . . ? C2 C1 H1A 119.5 . . ? C3 C2 C1 118.2(10) . . ? C3 C2 H2A 120.9 . . ? C1 C2 H2A 120.9 . . ? C4 C3 C2 122.4(9) . . ? C4 C3 H3A 118.8 . . ? C2 C3 H3A 118.8 . . ? C3 C4 C5 119.1(9) . . ? C3 C4 H4A 120.5 . . ? C5 C4 H4A 120.5 . . ? C4 C5 C6 122.7(8) . . ? C4 C5 H5A 118.7 . . ? C6 C5 H5A 118.7 . . ? C5 C6 C1 116.4(6) . . ? C5 C6 C7 124.3(6) . . ? C1 C6 C7 119.2(6) . . ? O1 C7 N1 126.0(5) . . ? O1 C7 C6 117.8(5) . . ? N1 C7 C6 115.7(5) . . ? N2 C8 N1 133.9(5) . . ? N2 C8 O2 110.4(5) . . ? N1 C8 O2 115.7(5) . . ? N3 C9 O2 113.4(5) . . ? N3 C9 C10 127.1(6) . . ? O2 C9 C10 119.4(5) . . ? C11 C10 C15 117.3(7) . . ? C11 C10 C9 122.8(6) . . ? C15 C10 C9 119.9(6) . . ? C10 C11 C12 121.4(8) . . ? C10 C11 H11A 119.3 . . ? C12 C11 H11A 119.3 . . ? C13 C12 C11 117.3(9) . . ? C13 C12 H12A 121.4 . . ? C11 C12 H12A 121.4 . . ? C14 C13 C12 122.2(8) . . ? C14 C13 H13A 118.9 . . ? C12 C13 H13A 118.9 . . ? C13 C14 C15 119.5(8) . . ? C13 C14 H14A 120.3 . . ? C15 C14 H14A 120.3 . . ? C14 C15 C10 122.2(7) . . ? C14 C15 H15A 118.9 . . ? C10 C15 H15A 118.9 . . ? C21 C16 C17 121.5(8) . . ? C21 C16 H16A 119.3 . . ? C17 C16 H16A 119.3 . . ? C18 C17 C16 118.3(8) . . ? C18 C17 H17A 120.8 . . ? C16 C17 H17A 120.8 . . ? C19 C18 C17 120.7(7) . . ? C19 C18 H18A 119.6 . . ? C17 C18 H18A 119.6 . . ? C18 C19 C20 120.2(8) . . ? C18 C19 H19A 119.9 . . ? C20 C19 H19A 119.9 . . ? C21 C20 C19 119.2(7) . . ? C21 C20 H20A 120.4 . . ? C19 C20 H20A 120.4 . . ? C20 C21 C16 119.9(6) . . ? C20 C21 C22 120.9(6) . . ? C16 C21 C22 119.1(6) . . ? O3 C22 N4 126.4(5) . . ? O3 C22 C21 117.4(6) . . ? N4 C22 C21 116.1(5) . . ? N5 C23 N4 136.5(5) . . ? N5 C23 O4 109.8(5) . . ? N4 C23 O4 113.7(5) . . ? N6 C24 O4 112.3(4) . . ? N6 C24 C25 129.1(5) . . ? O4 C24 C25 118.5(5) . . ? C30 C25 C26 117.6(6) . . ? C30 C25 C24 121.6(5) . . ? C26 C25 C24 120.8(5) . . ? C25 C26 C27 120.0(6) . . ? C25 C26 H26A 120.0 . . ? C27 C26 H26A 120.0 . . ? C28 C27 C26 120.3(7) . . ? C28 C27 H27A 119.8 . . ? C26 C27 H27A 119.8 . . ? C27 C28 C29 120.0(7) . . ? C27 C28 H28A 120.0 . . ? C29 C28 H28A 120.0 . . ? C30 C29 C28 119.9(8) . . ? C30 C29 H29A 120.0 . . ? C28 C29 H29A 120.0 . . ? C29 C30 C25 121.9(7) . . ? C29 C30 H30A 119.0 . . ? C25 C30 H30A 119.0 . . ? C32 C31 C36 120.3(7) . . ? C32 C31 H31A 119.9 . . ? C36 C31 H31A 119.9 . . ? C31 C32 C33 119.2(8) . . ? C31 C32 H32A 120.4 . . ? C33 C32 H32A 120.4 . . ? C34 C33 C32 121.4(7) . . ? C34 C33 H33A 119.3 . . ? C32 C33 H33A 119.3 . . ? C33 C34 C35 119.3(8) . . ? C33 C34 H34A 120.4 . . ? C35 C34 H34A 120.4 . . ? C34 C35 C36 121.9(7) . . ? C34 C35 H35A 119.1 . . ? C36 C35 H35A 119.1 . . ? C35 C36 C31 118.0(6) . . ? C35 C36 C37 122.4(6) . . ? C31 C36 C37 119.6(6) . . ? O5 C37 N7 126.3(5) . . ? O5 C37 C36 116.6(5) . . ? N7 C37 C36 117.0(6) . . ? N8 C38 O6 111.6(5) . . ? N8 C38 N7 134.1(5) . . ? O6 C38 N7 114.2(5) . . ? N9 C39 O6 112.9(5) . . ? N9 C39 C40 129.4(6) . . ? O6 C39 C40 117.7(5) . . ? C41 C40 C45 118.3(6) . . ? C41 C40 C39 122.3(6) . . ? C45 C40 C39 119.4(6) . . ? C42 C41 C40 120.4(8) . . ? C42 C41 H41A 119.8 . . ? C40 C41 H41A 119.8 . . ? C43 C42 C41 121.7(8) . . ? C43 C42 H42A 119.2 . . ? C41 C42 H42A 119.2 . . ? C42 C43 C44 118.9(8) . . ? C42 C43 H43A 120.5 . . ? C44 C43 H43A 120.5 . . ? C45 C44 C43 120.5(9) . . ? C45 C44 H44A 119.7 . . ? C43 C44 H44A 119.7 . . ? C44 C45 C40 120.1(8) . . ? C44 C45 H45A 120.0 . . ? C40 C45 H45A 120.0 . . ? Cl3 C46 Cl2 104.3(5) . . ? Cl3 C46 Cl1 106.6(5) . . ? Cl2 C46 Cl1 119.3(5) . . ? Cl3 C46 H46A 108.7 . . ? Cl2 C46 H46A 108.7 . . ? Cl1 C46 H46A 108.7 . . ? C47 C48 H48A 109.5 . . ? C47 C48 H48B 109.5 . . ? H48A C48 H48B 109.5 . . ? C47 C48 H48C 109.5 . . ? H48A C48 H48C 109.5 . . ? H48B C48 H48C 109.5 . . ? O8 C47 C48 120.9(8) . . ? O8 C47 H47B 107.1 . . ? C48 C47 H47B 107.1 . . ? O8 C47 H47A 107.1 . . ? C48 C47 H47A 107.1 . . ? H47B C47 H47A 106.8 . . ? 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 O7 Eu1 O1 C7 78.9(6) . . . . ? O5 Eu1 O1 C7 -65.6(6) . . . . ? O7 Eu1 O1 C7 137.1(6) 13_465 . . . ? O3 Eu1 O1 C7 -143.9(6) . . . . ? N2 Eu1 O1 C7 31.4(6) . . . . ? N5 Eu1 O1 C7 -153.0(5) . . . . ? N8 Eu1 O1 C7 -17.0(6) . . . . ? O7 Eu1 O1 Na1 -58.31(17) . . . 13_465 ? O5 Eu1 O1 Na1 157.18(17) . . . 13_465 ? O7 Eu1 O1 Na1 -0.10(13) 13_465 . . 13_465 ? O3 Eu1 O1 Na1 78.86(14) . . . 13_465 ? N2 Eu1 O1 Na1 -105.81(17) . . . 13_465 ? N5 Eu1 O1 Na1 69.7(3) . . . 13_465 ? N8 Eu1 O1 Na1 -154.21(14) . . . 13_465 ? O7 Eu1 O3 C22 -60.6(7) . . . . ? O5 Eu1 O3 C22 91.9(7) . . . . ? O7 Eu1 O3 C22 -108.7(7) 13_465 . . . ? O1 Eu1 O3 C22 172.2(7) . . . . ? N2 Eu1 O3 C22 164.5(6) . . . . ? N5 Eu1 O3 C22 -13.3(6) . . . . ? N8 Eu1 O3 C22 44.4(7) . . . . ? O7 Eu1 O5 C37 8.8(10) . . . . ? O7 Eu1 O5 C37 -178.4(7) 13_465 . . . ? O3 Eu1 O5 C37 -139.3(9) . . . . ? O1 Eu1 O5 C37 137.9(9) . . . . ? N2 Eu1 O5 C37 72.8(8) . . . . ? N5 Eu1 O5 C37 -75.7(8) . . . . ? N8 Eu1 O5 C37 -0.5(8) . . . . ? O8 Na1 O7 Eu1 163.3(4) . . . . ? N6 Na1 O7 Eu1 -36.93(19) . . . . ? N9 Na1 O7 Eu1 59.47(19) . . . . ? O1 Na1 O7 Eu1 -127.06(19) 13_465 . . . ? Eu1 Na1 O7 Eu1 -127.2(3) 13_465 . . . ? O8 Na1 O7 Eu1 -69.5(5) . . . 13_465 ? N6 Na1 O7 Eu1 90.25(18) . . . 13_465 ? N9 Na1 O7 Eu1 -173.35(19) . . . 13_465 ? O1 Na1 O7 Eu1 0.12(15) 13_465 . . 13_465 ? O5 Eu1 O7 Na1 -54.2(3) . . . . ? O7 Eu1 O7 Na1 129.9(3) 13_465 . . . ? O3 Eu1 O7 Na1 80.0(2) . . . . ? O1 Eu1 O7 Na1 -169.28(16) . . . . ? N2 Eu1 O7 Na1 -124.4(2) . . . . ? N5 Eu1 O7 Na1 36.75(18) . . . . ? N8 Eu1 O7 Na1 -45.37(18) . . . . ? O5 Eu1 O7 Eu1 175.9(2) . . . 13_465 ? O7 Eu1 O7 Eu1 0.0 13_465 . . 13_465 ? O3 Eu1 O7 Eu1 -49.9(2) . . . 13_465 ? O1 Eu1 O7 Eu1 60.82(19) . . . 13_465 ? N2 Eu1 O7 Eu1 105.68(18) . . . 13_465 ? N5 Eu1 O7 Eu1 -93.15(16) . . . 13_465 ? N8 Eu1 O7 Eu1 -175.28(18) . . . 13_465 ? O7 Na1 O8 C47 -176(4) . . . . ? N6 Na1 O8 C47 28(4) . . . . ? N9 Na1 O8 C47 -81(4) . . . . ? O1 Na1 O8 C47 120(4) 13_465 . . . ? Eu1 Na1 O8 C47 144(4) 13_465 . . . ? O7 Eu1 N2 C8 -148.1(5) . . . . ? O5 Eu1 N2 C8 68.1(5) . . . . ? O7 Eu1 N2 C8 -80.4(5) 13_465 . . . ? O3 Eu1 N2 C8 -0.2(7) . . . . ? O1 Eu1 N2 C8 -8.5(5) . . . . ? N5 Eu1 N2 C8 176.0(4) . . . . ? N8 Eu1 N2 C8 132.9(5) . . . . ? O7 Eu1 N2 N3 25.7(4) . . . . ? O5 Eu1 N2 N3 -118.1(4) . . . . ? O7 Eu1 N2 N3 93.4(4) 13_465 . . . ? O3 Eu1 N2 N3 173.6(4) . . . . ? O1 Eu1 N2 N3 165.3(5) . . . . ? N5 Eu1 N2 N3 -10.2(6) . . . . ? N8 Eu1 N2 N3 -53.3(4) . . . . ? C8 N2 N3 C9 -1.6(7) . . . . ? Eu1 N2 N3 C9 -176.6(4) . . . . ? O7 Eu1 N5 C23 153.5(5) . . . . ? O5 Eu1 N5 C23 -65.8(5) . . . . ? O7 Eu1 N5 C23 82.0(5) 13_465 . . . ? O3 Eu1 N5 C23 5.9(4) . . . . ? O1 Eu1 N5 C23 15.7(6) . . . . ? N2 Eu1 N5 C23 -171.8(4) . . . . ? N8 Eu1 N5 C23 -129.6(5) . . . . ? O7 Eu1 N5 N6 -27.7(4) . . . . ? O5 Eu1 N5 N6 112.9(4) . . . . ? O7 Eu1 N5 N6 -99.2(4) 13_465 . . . ? O3 Eu1 N5 N6 -175.4(4) . . . . ? O1 Eu1 N5 N6 -165.6(3) . . . . ? N2 Eu1 N5 N6 6.9(5) . . . . ? N8 Eu1 N5 N6 49.1(4) . . . . ? C23 N5 N6 C24 0.0(6) . . . . ? Eu1 N5 N6 C24 -178.9(3) . . . . ? C23 N5 N6 Na1 -172.3(3) . . . . ? Eu1 N5 N6 Na1 8.7(4) . . . . ? O7 Na1 N6 C24 -152.8(6) . . . . ? O8 Na1 N6 C24 13.9(7) . . . . ? N9 Na1 N6 C24 129.1(6) . . . . ? O1 Na1 N6 C24 -80.1(6) 13_465 . . . ? Eu1 Na1 N6 C24 -118.9(6) 13_465 . . . ? O7 Na1 N6 N5 15.7(3) . . . . ? O8 Na1 N6 N5 -177.6(4) . . . . ? N9 Na1 N6 N5 -62.4(3) . . . . ? O1 Na1 N6 N5 88.4(3) 13_465 . . . ? Eu1 Na1 N6 N5 49.6(3) 13_465 . . . ? O7 Eu1 N8 C38 -160.5(5) . . . . ? O5 Eu1 N8 C38 13.4(5) . . . . ? O7 Eu1 N8 C38 -168.8(4) 13_465 . . . ? O3 Eu1 N8 C38 65.2(5) . . . . ? O1 Eu1 N8 C38 -40.1(5) . . . . ? N2 Eu1 N8 C38 -85.0(5) . . . . ? N5 Eu1 N8 C38 117.1(5) . . . . ? O7 Eu1 N8 N9 -0.9(4) . . . . ? O5 Eu1 N8 N9 173.0(5) . . . . ? O7 Eu1 N8 N9 -9.2(6) 13_465 . . . ? O3 Eu1 N8 N9 -135.2(4) . . . . ? O1 Eu1 N8 N9 119.5(4) . . . . ? N2 Eu1 N8 N9 74.6(4) . . . . ? N5 Eu1 N8 N9 -83.3(4) . . . . ? C38 N8 N9 C39 2.5(7) . . . . ? Eu1 N8 N9 C39 -160.4(4) . . . . ? C38 N8 N9 Na1 -160.3(4) . . . . ? Eu1 N8 N9 Na1 36.8(5) . . . . ? O7 Na1 N9 C39 155.9(8) . . . . ? O8 Na1 N9 C39 10.9(8) . . . . ? N6 Na1 N9 C39 -115.9(7) . . . . ? O1 Na1 N9 C39 143.3(7) 13_465 . . . ? Eu1 Na1 N9 C39 152.0(7) 13_465 . . . ? O7 Na1 N9 N8 -52.6(4) . . . . ? O8 Na1 N9 N8 162.3(4) . . . . ? N6 Na1 N9 N8 35.6(4) . . . . ? O1 Na1 N9 N8 -65.2(5) 13_465 . . . ? Eu1 Na1 N9 N8 -56.6(4) 13_465 . . . ? C6 C1 C2 C3 -1.1(14) . . . . ? C1 C2 C3 C4 1.8(16) . . . . ? C2 C3 C4 C5 0.6(16) . . . . ? C3 C4 C5 C6 -3.7(14) . . . . ? C4 C5 C6 C1 4.2(12) . . . . ? C4 C5 C6 C7 -176.9(7) . . . . ? C2 C1 C6 C5 -1.7(11) . . . . ? C2 C1 C6 C7 179.4(7) . . . . ? Eu1 O1 C7 N1 -40.0(10) . . . . ? Na1 O1 C7 N1 92.5(6) 13_465 . . . ? Eu1 O1 C7 C6 148.0(5) . . . . ? Na1 O1 C7 C6 -79.6(6) 13_465 . . . ? C8 N1 C7 O1 11.2(9) . . . . ? C8 N1 C7 C6 -176.6(5) . . . . ? C5 C6 C7 O1 150.8(7) . . . . ? C1 C6 C7 O1 -30.3(9) . . . . ? C5 C6 C7 N1 -22.0(9) . . . . ? C1 C6 C7 N1 156.8(6) . . . . ? N3 N2 C8 N1 -179.7(6) . . . . ? Eu1 N2 C8 N1 -5.2(10) . . . . ? N3 N2 C8 O2 1.4(6) . . . . ? Eu1 N2 C8 O2 175.9(3) . . . . ? C7 N1 C8 N2 9.3(10) . . . . ? C7 N1 C8 O2 -171.9(5) . . . . ? C9 O2 C8 N2 -0.6(6) . . . . ? C9 O2 C8 N1 -179.7(5) . . . . ? N2 N3 C9 O2 1.3(7) . . . . ? N2 N3 C9 C10 -178.5(6) . . . . ? C8 O2 C9 N3 -0.5(7) . . . . ? C8 O2 C9 C10 179.4(6) . . . . ? N3 C9 C10 C11 165.9(8) . . . . ? O2 C9 C10 C11 -13.9(11) . . . . ? N3 C9 C10 C15 -11.1(11) . . . . ? O2 C9 C10 C15 169.0(6) . . . . ? C15 C10 C11 C12 -0.2(13) . . . . ? C9 C10 C11 C12 -177.3(8) . . . . ? C10 C11 C12 C13 -2.6(16) . . . . ? C11 C12 C13 C14 3.1(17) . . . . ? C12 C13 C14 C15 -0.8(16) . . . . ? C13 C14 C15 C10 -2.3(14) . . . . ? C11 C10 C15 C14 2.8(12) . . . . ? C9 C10 C15 C14 179.9(7) . . . . ? C21 C16 C17 C18 -4.0(13) . . . . ? C16 C17 C18 C19 2.1(14) . . . . ? C17 C18 C19 C20 2.0(14) . . . . ? C18 C19 C20 C21 -4.4(12) . . . . ? C19 C20 C21 C16 2.5(11) . . . . ? C19 C20 C21 C22 178.3(6) . . . . ? C17 C16 C21 C20 1.7(12) . . . . ? C17 C16 C21 C22 -174.2(7) . . . . ? Eu1 O3 C22 N4 12.5(11) . . . . ? Eu1 O3 C22 C21 -169.1(4) . . . . ? C23 N4 C22 O3 1.1(9) . . . . ? C23 N4 C22 C21 -177.3(5) . . . . ? C20 C21 C22 O3 171.0(6) . . . . ? C16 C21 C22 O3 -13.2(9) . . . . ? C20 C21 C22 N4 -10.5(9) . . . . ? C16 C21 C22 N4 165.3(6) . . . . ? N6 N5 C23 N4 -179.0(6) . . . . ? Eu1 N5 C23 N4 -0.1(10) . . . . ? N6 N5 C23 O4 -0.9(6) . . . . ? Eu1 N5 C23 O4 178.0(3) . . . . ? C22 N4 C23 N5 -5.9(10) . . . . ? C22 N4 C23 O4 176.0(5) . . . . ? C24 O4 C23 N5 1.4(6) . . . . ? C24 O4 C23 N4 180.0(5) . . . . ? N5 N6 C24 O4 0.9(6) . . . . ? Na1 N6 C24 O4 169.9(4) . . . . ? N5 N6 C24 C25 177.1(5) . . . . ? Na1 N6 C24 C25 -13.8(10) . . . . ? C23 O4 C24 N6 -1.4(6) . . . . ? C23 O4 C24 C25 -178.1(5) . . . . ? N6 C24 C25 C30 17.3(10) . . . . ? O4 C24 C25 C30 -166.6(6) . . . . ? N6 C24 C25 C26 -164.7(6) . . . . ? O4 C24 C25 C26 11.4(8) . . . . ? C30 C25 C26 C27 -3.3(10) . . . . ? C24 C25 C26 C27 178.6(6) . . . . ? C25 C26 C27 C28 3.8(11) . . . . ? C26 C27 C28 C29 -4.1(13) . . . . ? C27 C28 C29 C30 4.2(14) . . . . ? C28 C29 C30 C25 -3.9(14) . . . . ? C26 C25 C30 C29 3.4(12) . . . . ? C24 C25 C30 C29 -178.5(8) . . . . ? C36 C31 C32 C33 1.2(12) . . . . ? C31 C32 C33 C34 0.0(13) . . . . ? C32 C33 C34 C35 -1.3(14) . . . . ? C33 C34 C35 C36 1.6(12) . . . . ? C34 C35 C36 C31 -0.4(11) . . . . ? C34 C35 C36 C37 178.6(7) . . . . ? C32 C31 C36 C35 -1.0(11) . . . . ? C32 C31 C36 C37 -180.0(7) . . . . ? Eu1 O5 C37 N7 -8.7(13) . . . . ? Eu1 O5 C37 C36 168.3(5) . . . . ? C38 N7 C37 O5 6.0(10) . . . . ? C38 N7 C37 C36 -171.0(5) . . . . ? C35 C36 C37 O5 -179.0(6) . . . . ? C31 C36 C37 O5 0.0(9) . . . . ? C35 C36 C37 N7 -1.7(9) . . . . ? C31 C36 C37 N7 177.3(6) . . . . ? N9 N8 C38 O6 -1.7(7) . . . . ? Eu1 N8 C38 O6 160.8(4) . . . . ? N9 N8 C38 N7 174.8(7) . . . . ? Eu1 N8 C38 N7 -22.6(10) . . . . ? C39 O6 C38 N8 0.3(7) . . . . ? C39 O6 C38 N7 -177.0(5) . . . . ? C37 N7 C38 N8 10.8(11) . . . . ? C37 N7 C38 O6 -172.7(5) . . . . ? N8 N9 C39 O6 -2.5(7) . . . . ? Na1 N9 C39 O6 149.1(5) . . . . ? N8 N9 C39 C40 179.1(6) . . . . ? Na1 N9 C39 C40 -29.4(12) . . . . ? C38 O6 C39 N9 1.4(7) . . . . ? C38 O6 C39 C40 -179.9(6) . . . . ? N9 C39 C40 C41 173.0(8) . . . . ? O6 C39 C40 C41 -5.4(10) . . . . ? N9 C39 C40 C45 -7.9(12) . . . . ? O6 C39 C40 C45 173.7(7) . . . . ? C45 C40 C41 C42 -0.1(13) . . . . ? C39 C40 C41 C42 179.0(8) . . . . ? C40 C41 C42 C43 0.8(15) . . . . ? C41 C42 C43 C44 0.5(16) . . . . ? C42 C43 C44 C45 -2.6(17) . . . . ? C43 C44 C45 C40 3.3(16) . . . . ? C41 C40 C45 C44 -2.0(13) . . . . ? C39 C40 C45 C44 178.9(8) . . . . ? Na1 O8 C47 C48 157(4) . . . . ? _diffrn_measured_fraction_theta_max 0.939 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.939 _refine_diff_density_max 0.785 _refine_diff_density_min -0.730 _refine_diff_density_rms 0.089 # Attachment 'cif-complex2.cif' data_c _database_code_depnum_ccdc_archive 'CCDC 705014' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C57 H38 Eu N11 O6' _chemical_formula_weight 1124.94 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' 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 p2(1)/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 15.7659(12) _cell_length_b 15.5239(12) _cell_length_c 19.8423(15) _cell_angle_alpha 90.00 _cell_angle_beta 94.4250(10) _cell_angle_gamma 90.00 _cell_volume 4841.9(6) _cell_formula_units_Z 4 _cell_measurement_temperature 291(2) _cell_measurement_reflns_used 355 _cell_measurement_theta_min 2.5 _cell_measurement_theta_max 26.0 _exptl_crystal_description prismatic _exptl_crystal_colour 'pale yellow' _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.543 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2272 _exptl_absorpt_coefficient_mu 1.362 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.7723 _exptl_absorpt_correction_T_max 0.8758 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 291(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 Rigaku-Raxis-IV _diffrn_measurement_method 'Oscillation frames' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 44719 _diffrn_reflns_av_R_equivalents 0.0451 _diffrn_reflns_av_sigmaI/netI 0.0470 _diffrn_reflns_limit_h_min -21 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -20 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 2.35 _diffrn_reflns_theta_max 28.41 _reflns_number_total 12054 _reflns_number_gt 8241 _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^)+(0.0323P)^2^+1.2100P] 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 noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 12054 _refine_ls_number_parameters 676 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0666 _refine_ls_R_factor_gt 0.0371 _refine_ls_wR_factor_ref 0.0849 _refine_ls_wR_factor_gt 0.0740 _refine_ls_goodness_of_fit_ref 1.020 _refine_ls_restrained_S_all 1.020 _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 -0.163246(6) -0.346271(7) 0.620381(5) 0.04129(3) Uani 1 1 d . . . O1 O -0.27149(9) -0.24496(10) 0.59696(8) 0.0533(4) Uani 1 1 d . . . O2 O -0.08422(9) -0.06418(10) 0.58728(8) 0.0544(4) Uani 1 1 d . . . O3 O -0.06296(9) -0.31392(11) 0.70887(7) 0.0540(4) Uani 1 1 d . . . O4 O -0.25263(9) -0.28491(10) 0.83613(7) 0.0538(4) Uani 1 1 d . . . O5 O -0.19484(9) -0.38625(11) 0.50902(7) 0.0534(4) Uani 1 1 d . . . O6 O 0.05978(8) -0.39137(10) 0.48634(7) 0.0480(4) Uani 1 1 d . . . N1 N -0.22338(12) -0.10348(12) 0.59885(10) 0.0535(5) Uani 1 1 d . . . N2 N -0.10769(11) -0.20415(12) 0.58494(10) 0.0547(6) Uani 1 1 d . . . N3 N -0.02095(12) -0.18954(13) 0.57553(11) 0.0626(6) Uani 1 1 d . . . N4 N -0.11250(11) -0.28861(13) 0.81374(9) 0.0557(6) Uani 1 1 d . . . N5 N -0.23107(11) -0.32018(13) 0.73108(9) 0.0511(5) Uani 1 1 d . . . N6 N -0.31896(12) -0.32453(13) 0.73951(9) 0.0568(6) Uani 1 1 d . . . N7 N -0.07916(11) -0.40488(12) 0.44613(9) 0.0474(5) Uani 1 1 d . . . N8 N -0.03077(10) -0.38681(12) 0.56560(8) 0.0442(5) Uani 1 1 d . . . N9 N 0.05250(11) -0.37909(12) 0.59622(9) 0.0473(5) Uani 1 1 d . . . N10 N -0.13008(10) -0.49368(11) 0.67580(9) 0.0456(5) Uani 1 1 d . . . N11 N -0.28976(11) -0.45078(12) 0.62642(9) 0.0488(5) Uani 1 1 d . . . C1 C -0.43071(15) -0.18750(17) 0.63146(12) 0.0578(7) Uani 1 1 d . . . H1A H -0.4144 -0.2433 0.6435 0.069 Uiso 1 1 calc R . . C2 C -0.50949(12) -0.16401(14) 0.63948(12) 0.0472(6) Uani 1 1 d . . . H2A H -0.5475 -0.2019 0.6574 0.057 Uiso 1 1 calc R . . C3 C -0.53248(17) -0.0873(2) 0.62185(15) 0.0793(9) Uani 1 1 d . . . H3A H -0.5883 -0.0710 0.6274 0.095 Uiso 1 1 calc R . . C4 C -0.47990(18) -0.02791(19) 0.59530(16) 0.0828(10) Uani 1 1 d . . . H4A H -0.4999 0.0265 0.5825 0.099 Uiso 1 1 calc R . . C5 C -0.39649(17) -0.05087(17) 0.58803(14) 0.0703(8) Uani 1 1 d . . . H5A H -0.3585 -0.0118 0.5714 0.084 Uiso 1 1 calc R . . C6 C -0.37078(14) -0.13350(15) 0.60611(11) 0.0481(6) Uani 1 1 d . . . C7 C -0.28204(14) -0.16443(15) 0.59962(11) 0.0475(6) Uani 1 1 d . . . C8 C -0.14299(15) -0.12900(15) 0.59109(11) 0.0490(6) Uani 1 1 d . . . C9 C -0.01095(14) -0.10788(16) 0.57748(11) 0.0513(6) Uani 1 1 d . . . C10 C 0.06867(15) -0.06113(16) 0.57113(11) 0.0562(7) Uani 1 1 d . . . C11 C 0.07290(17) 0.02770(17) 0.57666(12) 0.0635(8) Uani 1 1 d . . . H11A H 0.0244 0.0595 0.5840 0.076 Uiso 1 1 calc R . . C12 C 0.15048(18) 0.06892(19) 0.57119(13) 0.0764(9) Uani 1 1 d . . . H12A H 0.1537 0.1286 0.5746 0.092 Uiso 1 1 calc R . . C13 C 0.22174(19) 0.0225(2) 0.56082(14) 0.0864(10) Uani 1 1 d . . . H13A H 0.2732 0.0507 0.5570 0.104 Uiso 1 1 calc R . . C14 C 0.21768(18) -0.0661(2) 0.55598(15) 0.0890(11) Uani 1 1 d . . . H14A H 0.2664 -0.0978 0.5495 0.107 Uiso 1 1 calc R . . C15 C 0.14083(17) -0.10718(19) 0.56075(14) 0.0722(9) Uani 1 1 d . . . H15A H 0.1379 -0.1668 0.5569 0.087 Uiso 1 1 calc R . . C16 C 0.09990(16) -0.34182(16) 0.76959(13) 0.0653(8) Uani 1 1 d . . . H16A H 0.0869 -0.3593 0.7252 0.078 Uiso 1 1 calc R . . C17 C 0.17909(15) -0.35102(19) 0.79579(14) 0.0739(9) Uani 1 1 d . . . H17A H 0.2214 -0.3740 0.7710 0.089 Uiso 1 1 calc R . . C18 C 0.1946(2) -0.3259(2) 0.85887(19) 0.1079(13) Uani 1 1 d . . . H18A H 0.2495 -0.3336 0.8786 0.129 Uiso 1 1 calc R . . C19 C 0.13605(17) -0.2890(2) 0.89802(14) 0.0866(10) Uani 1 1 d . . . H19A H 0.1514 -0.2704 0.9418 0.104 Uiso 1 1 calc R . . C20 C 0.05539(16) -0.28088(18) 0.87033(12) 0.0677(8) Uani 1 1 d . . . H20A H 0.0136 -0.2574 0.8954 0.081 Uiso 1 1 calc R . . C21 C 0.03537(14) -0.30767(15) 0.80463(11) 0.0504(6) Uani 1 1 d . . . C22 C -0.05269(14) -0.30293(14) 0.77181(11) 0.0470(6) Uani 1 1 d . . . C23 C -0.19337(14) -0.29750(15) 0.78967(11) 0.0490(6) Uani 1 1 d . . . C24 C -0.32783(14) -0.30349(15) 0.80068(11) 0.0496(6) Uani 1 1 d . . . C25 C -0.40592(14) -0.29951(16) 0.83637(12) 0.0548(7) Uani 1 1 d . . . C26 C -0.48316(16) -0.31612(19) 0.80091(13) 0.0702(8) Uani 1 1 d . . . H26A H -0.4853 -0.3295 0.7551 0.084 Uiso 1 1 calc R . . C27 C -0.55716(17) -0.3128(2) 0.83381(15) 0.0827(10) Uani 1 1 d . . . H27A H -0.6093 -0.3237 0.8102 0.099 Uiso 1 1 calc R . . C28 C -0.55353(17) -0.2933(2) 0.90189(15) 0.0815(9) Uani 1 1 d . . . H28A H -0.6033 -0.2908 0.9241 0.098 Uiso 1 1 calc R . . C29 C -0.47722(17) -0.2777(2) 0.93659(14) 0.0807(9) Uani 1 1 d . . . H29A H -0.4752 -0.2652 0.9825 0.097 Uiso 1 1 calc R . . C30 C -0.40325(16) -0.28008(17) 0.90450(13) 0.0652(8) Uani 1 1 d . . . H30A H -0.3515 -0.2687 0.9285 0.078 Uiso 1 1 calc R . . C31 C -0.30519(15) -0.42558(17) 0.39703(13) 0.0622(8) Uani 1 1 d . . . H31A H -0.3260 -0.4204 0.4395 0.075 Uiso 1 1 calc R . . C32 C -0.36040(13) -0.43952(17) 0.34553(11) 0.0554(7) Uani 1 1 d . . . H32A H -0.4183 -0.4433 0.3511 0.067 Uiso 1 1 calc R . . C33 C -0.33160(17) -0.4478(2) 0.28663(14) 0.0801(9) Uani 1 1 d . . . H33A H -0.3706 -0.4578 0.2499 0.096 Uiso 1 1 calc R . . C34 C -0.24630(18) -0.44267(19) 0.27489(13) 0.0732(9) Uani 1 1 d . . . H34A H -0.2282 -0.4493 0.2317 0.088 Uiso 1 1 calc R . . C35 C -0.18924(16) -0.42737(16) 0.32976(12) 0.0593(7) Uani 1 1 d . . . H35A H -0.1314 -0.4234 0.3241 0.071 Uiso 1 1 calc R . . C36 C -0.21850(13) -0.41801(13) 0.39319(10) 0.0416(5) Uani 1 1 d . . . C37 C -0.16147(13) -0.40149(13) 0.45472(11) 0.0428(6) Uani 1 1 d . . . C38 C -0.02365(13) -0.39427(13) 0.49977(11) 0.0413(5) Uani 1 1 d . . . C39 C 0.10245(13) -0.38126(13) 0.54814(10) 0.0405(5) Uani 1 1 d . . . C40 C 0.19420(13) -0.37060(13) 0.55165(11) 0.0436(6) Uani 1 1 d . . . C41 C 0.23835(14) -0.37966(16) 0.49452(12) 0.0546(7) Uani 1 1 d . . . H41A H 0.2097 -0.3962 0.4538 0.065 Uiso 1 1 calc R . . C42 C 0.32464(16) -0.36431(17) 0.49763(14) 0.0669(8) Uani 1 1 d . . . H42A H 0.3540 -0.3713 0.4591 0.080 Uiso 1 1 calc R . . C43 C 0.36736(16) -0.33890(16) 0.55674(14) 0.0664(8) Uani 1 1 d . . . H43A H 0.4251 -0.3262 0.5580 0.080 Uiso 1 1 calc R . . C44 C 0.32484(15) -0.33210(18) 0.61444(14) 0.0689(9) Uani 1 1 d . . . H44A H 0.3542 -0.3170 0.6551 0.083 Uiso 1 1 calc R . . C45 C 0.23859(14) -0.34775(15) 0.61190(12) 0.0555(7) Uani 1 1 d . . . H45A H 0.2100 -0.3429 0.6510 0.067 Uiso 1 1 calc R . . C46 C -0.05230(14) -0.51678(15) 0.69854(12) 0.0542(7) Uani 1 1 d . . . H46A H -0.0066 -0.4866 0.6831 0.065 Uiso 1 1 calc R . . C47 C -0.03505(16) -0.58352(16) 0.74414(12) 0.0598(7) Uani 1 1 d . . . H47A H 0.0209 -0.5976 0.7582 0.072 Uiso 1 1 calc R . . C48 C -0.10061(17) -0.62803(16) 0.76797(12) 0.0605(7) Uani 1 1 d . . . H48A H -0.0900 -0.6720 0.7993 0.073 Uiso 1 1 calc R . . C49 C -0.18398(15) -0.60732(15) 0.74508(11) 0.0511(6) Uani 1 1 d . . . C50 C -0.25683(18) -0.65115(17) 0.76644(14) 0.0705(8) Uani 1 1 d . . . H50A H -0.2495 -0.6952 0.7982 0.085 Uiso 1 1 calc R . . C51 C -0.33515(17) -0.63025(17) 0.74183(14) 0.0712(8) Uani 1 1 d . . . H51A H -0.3813 -0.6596 0.7573 0.085 Uiso 1 1 calc R . . C52 C -0.35005(14) -0.56428(16) 0.69260(12) 0.0566(7) Uani 1 1 d . . . C53 C -0.43059(16) -0.54227(18) 0.66394(15) 0.0723(9) Uani 1 1 d . . . H53A H -0.4782 -0.5714 0.6769 0.087 Uiso 1 1 calc R . . C54 C -0.43990(15) -0.47841(19) 0.61712(15) 0.0757(9) Uani 1 1 d . . . H54A H -0.4933 -0.4650 0.5967 0.091 Uiso 1 1 calc R . . C55 C -0.36734(15) -0.43289(17) 0.60002(13) 0.0642(8) Uani 1 1 d . . . H55A H -0.3743 -0.3883 0.5688 0.077 Uiso 1 1 calc R . . C56 C -0.28100(13) -0.51648(14) 0.67138(11) 0.0462(6) Uani 1 1 d . . . C57 C -0.19627(13) -0.53933(14) 0.69833(10) 0.0452(6) Uani 1 1 d . . . 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 0.03443(5) 0.04817(6) 0.04234(6) -0.00200(5) 0.00988(4) -0.00117(5) O1 0.0429(8) 0.0508(9) 0.0675(10) 0.0018(8) 0.0113(8) 0.0026(7) O2 0.0488(9) 0.0529(9) 0.0623(10) 0.0008(8) 0.0106(8) -0.0066(8) O3 0.0422(8) 0.0740(10) 0.0466(8) -0.0090(8) 0.0084(7) -0.0061(8) O4 0.0468(8) 0.0695(10) 0.0469(8) -0.0069(8) 0.0149(7) 0.0057(8) O5 0.0390(8) 0.0769(10) 0.0450(8) -0.0094(8) 0.0073(7) -0.0015(8) O6 0.0345(7) 0.0648(10) 0.0456(8) -0.0012(7) 0.0101(7) -0.0031(7) N1 0.0454(10) 0.0537(11) 0.0624(12) 0.0009(10) 0.0119(9) -0.0013(9) N2 0.0408(10) 0.0551(12) 0.0699(12) 0.0053(10) 0.0161(9) -0.0041(9) N3 0.0448(11) 0.0587(12) 0.0859(15) 0.0106(11) 0.0143(11) -0.0072(10) N4 0.0447(10) 0.0749(13) 0.0481(10) -0.0134(10) 0.0082(9) -0.0041(10) N5 0.0374(9) 0.0725(13) 0.0444(10) -0.0071(9) 0.0099(8) 0.0019(9) N6 0.0396(10) 0.0843(14) 0.0484(11) -0.0046(10) 0.0152(9) 0.0053(10) N7 0.0369(9) 0.0618(12) 0.0445(10) -0.0004(9) 0.0084(8) -0.0010(9) N8 0.0343(9) 0.0536(10) 0.0452(10) -0.0021(9) 0.0071(8) -0.0006(8) N9 0.0325(9) 0.0627(11) 0.0469(10) -0.0051(9) 0.0053(8) -0.0015(9) N10 0.0356(9) 0.0492(10) 0.0533(10) 0.0033(9) 0.0119(8) -0.0030(8) N11 0.0353(9) 0.0572(11) 0.0544(11) -0.0073(9) 0.0076(8) 0.0006(9) C1 0.0511(14) 0.0593(14) 0.0630(15) 0.0039(12) 0.0052(12) 0.0017(12) C2 0.0224(9) 0.0516(13) 0.0692(14) 0.0050(11) 0.0138(10) 0.0019(9) C3 0.0458(14) 0.095(2) 0.097(2) -0.0040(18) 0.0082(15) 0.0158(15) C4 0.0691(18) 0.0741(18) 0.105(2) 0.0155(17) 0.0080(17) 0.0241(15) C5 0.0607(16) 0.0630(16) 0.0886(19) 0.0102(14) 0.0139(14) 0.0074(14) C6 0.0439(12) 0.0562(14) 0.0447(12) -0.0012(10) 0.0053(10) 0.0068(11) C7 0.0451(12) 0.0562(14) 0.0416(11) 0.0027(11) 0.0057(10) 0.0011(11) C8 0.0508(13) 0.0522(13) 0.0447(12) 0.0031(10) 0.0078(11) -0.0081(11) C9 0.0434(12) 0.0590(14) 0.0517(13) 0.0071(12) 0.0063(11) -0.0060(12) C10 0.0517(13) 0.0707(16) 0.0468(13) 0.0034(12) 0.0069(11) -0.0153(12) C11 0.0662(16) 0.0712(17) 0.0534(14) -0.0008(13) 0.0060(12) -0.0156(14) C12 0.0852(19) 0.0792(18) 0.0642(17) -0.0041(14) 0.0016(15) -0.0368(16) C13 0.0684(17) 0.115(2) 0.0751(19) -0.0004(18) 0.0014(15) -0.0401(17) C14 0.0530(16) 0.124(3) 0.091(2) -0.001(2) 0.0126(15) -0.0224(17) C15 0.0574(15) 0.0753(18) 0.0855(19) 0.0026(16) 0.0150(14) -0.0117(14) C16 0.0505(14) 0.0818(18) 0.0634(15) -0.0187(14) 0.0036(12) -0.0085(13) C17 0.0352(12) 0.117(2) 0.0696(16) -0.0324(16) 0.0031(12) 0.0005(14) C18 0.0502(17) 0.148(3) 0.123(3) 0.000(2) -0.0084(19) -0.0046(19) C19 0.0602(16) 0.133(3) 0.0642(17) -0.0188(18) -0.0105(14) -0.0258(18) C20 0.0591(15) 0.0888(19) 0.0555(15) -0.0144(14) 0.0058(12) -0.0149(14) C21 0.0437(12) 0.0545(13) 0.0535(13) -0.0057(11) 0.0065(11) -0.0134(11) C22 0.0453(12) 0.0467(12) 0.0500(12) -0.0057(10) 0.0096(10) -0.0061(11) C23 0.0473(12) 0.0554(14) 0.0463(12) -0.0026(11) 0.0164(10) 0.0037(11) C24 0.0464(12) 0.0537(13) 0.0497(13) 0.0011(11) 0.0098(11) 0.0078(11) C25 0.0478(13) 0.0601(15) 0.0586(14) 0.0069(12) 0.0180(11) 0.0119(12) C26 0.0522(14) 0.101(2) 0.0597(15) 0.0078(15) 0.0165(13) 0.0120(15) C27 0.0514(15) 0.112(2) 0.086(2) 0.0147(18) 0.0169(15) 0.0136(16) C28 0.0615(16) 0.100(2) 0.0884(19) 0.0031(17) 0.0386(15) 0.0178(16) C29 0.0754(17) 0.103(2) 0.0682(16) -0.0082(16) 0.0365(14) 0.0133(17) C30 0.0578(15) 0.0760(18) 0.0645(15) -0.0083(14) 0.0216(13) 0.0078(14) C31 0.0498(13) 0.0810(18) 0.0564(14) 0.0023(13) 0.0082(12) -0.0004(13) C32 0.0250(10) 0.0984(19) 0.0421(12) -0.0017(12) -0.0027(9) -0.0057(11) C33 0.0602(16) 0.103(2) 0.0728(18) 0.0046(16) -0.0229(14) -0.0041(16) C34 0.0738(18) 0.103(2) 0.0425(13) 0.0006(14) 0.0005(13) 0.0009(16) C35 0.0544(14) 0.0759(17) 0.0484(13) 0.0016(12) 0.0086(11) 0.0012(13) C36 0.0386(11) 0.0436(12) 0.0428(11) 0.0033(10) 0.0049(9) 0.0020(10) C37 0.0446(12) 0.0403(11) 0.0443(11) -0.0001(10) 0.0074(10) -0.0036(10) C38 0.0338(10) 0.0419(11) 0.0494(12) -0.0005(10) 0.0115(9) -0.0009(9) C39 0.0360(10) 0.0427(11) 0.0434(11) -0.0038(9) 0.0068(9) 0.0011(9) C40 0.0362(11) 0.0411(11) 0.0542(13) -0.0012(10) 0.0082(10) 0.0017(9) C41 0.0409(12) 0.0710(16) 0.0533(13) 0.0000(12) 0.0128(11) 0.0010(12) C42 0.0470(13) 0.0851(19) 0.0714(16) 0.0019(14) 0.0234(12) 0.0025(13) C43 0.0385(12) 0.0752(18) 0.0871(19) 0.0034(15) 0.0142(13) -0.0056(12) C44 0.0431(14) 0.087(2) 0.0759(18) -0.0135(15) -0.0007(13) -0.0086(13) C45 0.0426(12) 0.0674(15) 0.0573(14) -0.0102(12) 0.0087(11) -0.0046(12) C46 0.0373(11) 0.0598(15) 0.0666(15) 0.0096(12) 0.0108(11) -0.0026(11) C47 0.0482(13) 0.0675(16) 0.0638(15) 0.0065(13) 0.0044(12) 0.0065(12) C48 0.0734(17) 0.0571(15) 0.0512(14) 0.0047(12) 0.0065(13) 0.0047(13) C49 0.0590(14) 0.0482(13) 0.0477(12) 0.0002(11) 0.0145(11) -0.0053(12) C50 0.0755(17) 0.0636(16) 0.0747(17) 0.0127(14) 0.0202(15) -0.0124(14) C51 0.0676(16) 0.0708(17) 0.0791(18) 0.0053(14) 0.0311(14) -0.0221(14) C52 0.0419(12) 0.0625(15) 0.0681(15) -0.0126(12) 0.0208(11) -0.0119(11) C53 0.0413(13) 0.0790(18) 0.099(2) -0.0085(16) 0.0204(14) -0.0118(13) C54 0.0323(12) 0.086(2) 0.108(2) -0.0141(18) -0.0007(14) -0.0020(13) C55 0.0451(13) 0.0673(16) 0.0796(18) -0.0046(14) 0.0009(13) 0.0020(13) C56 0.0400(11) 0.0511(13) 0.0490(12) -0.0111(11) 0.0135(10) -0.0058(10) C57 0.0444(12) 0.0481(12) 0.0451(11) -0.0088(10) 0.0149(10) -0.0032(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 O5 2.3122(14) . ? Eu1 O3 2.3253(14) . ? Eu1 O1 2.3408(15) . ? Eu1 N2 2.4948(19) . ? Eu1 N8 2.5080(17) . ? Eu1 N5 2.5484(18) . ? Eu1 N10 2.5750(17) . ? Eu1 N11 2.5810(18) . ? O1 C7 1.263(3) . ? O2 C9 1.366(3) . ? O2 C8 1.374(3) . ? O3 C22 1.258(3) . ? O4 C24 1.362(3) . ? O4 C23 1.376(3) . ? O5 C37 1.257(2) . ? O6 C39 1.361(2) . ? O6 C38 1.363(2) . ? N1 C7 1.324(3) . ? N1 C8 1.348(3) . ? N2 C8 1.302(3) . ? N2 N3 1.413(3) . ? N3 C9 1.278(3) . ? N4 C22 1.324(3) . ? N4 C23 1.334(3) . ? N5 C23 1.312(3) . ? N5 N6 1.410(2) . ? N6 C24 1.275(3) . ? N7 C37 1.323(3) . ? N7 C38 1.335(3) . ? N8 C38 1.325(3) . ? N8 N9 1.409(2) . ? N9 C39 1.284(3) . ? N10 C46 1.323(3) . ? N10 C57 1.365(3) . ? N11 C55 1.322(3) . ? N11 C56 1.355(3) . ? C1 C2 1.316(3) . ? C1 C6 1.386(3) . ? C1 H1A 0.9300 . ? C2 C3 1.286(3) . ? C2 H2A 0.9300 . ? C3 C4 1.372(4) . ? C3 H3A 0.9300 . ? C4 C5 1.381(4) . ? C4 H4A 0.9300 . ? C5 C6 1.384(3) . ? C5 H5A 0.9300 . ? C6 C7 1.494(3) . ? C9 C10 1.464(3) . ? C10 C15 1.373(4) . ? C10 C11 1.385(3) . ? C11 C12 1.392(4) . ? C11 H11A 0.9300 . ? C12 C13 1.363(4) . ? C12 H12A 0.9300 . ? C13 C14 1.380(4) . ? C13 H13A 0.9300 . ? C14 C15 1.379(4) . ? C14 H14A 0.9300 . ? C15 H15A 0.9300 . ? C16 C17 1.323(3) . ? C16 C21 1.382(3) . ? C16 H16A 0.9300 . ? C17 C18 1.316(4) . ? C17 H17A 0.9300 . ? C18 C19 1.376(5) . ? C18 H18A 0.9300 . ? C19 C20 1.352(3) . ? C19 H19A 0.9300 . ? C20 C21 1.382(3) . ? C20 H20A 0.9300 . ? C21 C22 1.489(3) . ? C24 C25 1.468(3) . ? C25 C30 1.383(3) . ? C25 C26 1.383(3) . ? C26 C27 1.381(4) . ? C26 H26A 0.9300 . ? C27 C28 1.381(4) . ? C27 H27A 0.9300 . ? C28 C29 1.361(4) . ? C28 H28A 0.9300 . ? C29 C30 1.372(4) . ? C29 H29A 0.9300 . ? C30 H30A 0.9300 . ? C31 C32 1.308(3) . ? C31 C36 1.380(3) . ? C31 H31A 0.9300 . ? C32 C33 1.292(3) . ? C32 H32A 0.9300 . ? C33 C34 1.385(4) . ? C33 H33A 0.9300 . ? C34 C35 1.378(3) . ? C34 H34A 0.9300 . ? C35 C36 1.381(3) . ? C35 H35A 0.9300 . ? C36 C37 1.482(3) . ? C39 C40 1.452(3) . ? C40 C41 1.382(3) . ? C40 C45 1.384(3) . ? C41 C42 1.378(3) . ? C41 H41A 0.9300 . ? C42 C43 1.365(4) . ? C42 H42A 0.9300 . ? C43 C44 1.375(4) . ? C43 H43A 0.9300 . ? C44 C45 1.378(3) . ? C44 H44A 0.9300 . ? C45 H45A 0.9300 . ? C46 C47 1.388(3) . ? C46 H46A 0.9300 . ? C47 C48 1.358(3) . ? C47 H47A 0.9300 . ? C48 C49 1.395(3) . ? C48 H48A 0.9300 . ? C49 C57 1.409(3) . ? C49 C50 1.427(3) . ? C50 C51 1.332(4) . ? C50 H50A 0.9300 . ? C51 C52 1.422(4) . ? C51 H51A 0.9300 . ? C52 C53 1.393(3) . ? C52 C56 1.408(3) . ? C53 C54 1.359(4) . ? C53 H53A 0.9300 . ? C54 C55 1.408(4) . ? C54 H54A 0.9300 . ? C55 H55A 0.9300 . ? C56 C57 1.444(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 O5 Eu1 O3 149.70(5) . . ? O5 Eu1 O1 83.72(5) . . ? O3 Eu1 O1 116.59(5) . . ? O5 Eu1 N2 91.28(6) . . ? O3 Eu1 N2 77.81(6) . . ? O1 Eu1 N2 67.44(6) . . ? O5 Eu1 N8 69.12(5) . . ? O3 Eu1 N8 80.85(5) . . ? O1 Eu1 N8 134.53(6) . . ? N2 Eu1 N8 77.15(6) . . ? O5 Eu1 N5 142.43(5) . . ? O3 Eu1 N5 67.72(5) . . ? O1 Eu1 N5 73.52(6) . . ? N2 Eu1 N5 106.39(6) . . ? N8 Eu1 N5 146.33(5) . . ? O5 Eu1 N10 101.03(6) . . ? O3 Eu1 N10 76.45(6) . . ? O1 Eu1 N10 143.40(5) . . ? N2 Eu1 N10 147.37(6) . . ? N8 Eu1 N10 79.26(6) . . ? N5 Eu1 N10 81.84(6) . . ? O5 Eu1 N11 76.43(5) . . ? O3 Eu1 N11 125.70(6) . . ? O1 Eu1 N11 82.96(5) . . ? N2 Eu1 N11 149.13(6) . . ? N8 Eu1 N11 122.33(6) . . ? N5 Eu1 N11 71.50(6) . . ? N10 Eu1 N11 63.50(5) . . ? C7 O1 Eu1 138.87(14) . . ? C9 O2 C8 103.03(17) . . ? C22 O3 Eu1 143.76(14) . . ? C24 O4 C23 103.47(16) . . ? C37 O5 Eu1 142.74(13) . . ? C39 O6 C38 104.18(15) . . ? C7 N1 C8 117.1(2) . . ? C8 N2 N3 107.06(19) . . ? C8 N2 Eu1 127.16(15) . . ? N3 N2 Eu1 122.94(14) . . ? C9 N3 N2 105.89(19) . . ? C22 N4 C23 117.73(19) . . ? C23 N5 N6 106.84(17) . . ? C23 N5 Eu1 127.94(14) . . ? N6 N5 Eu1 125.18(12) . . ? C24 N6 N5 106.37(18) . . ? C37 N7 C38 118.79(18) . . ? C38 N8 N9 106.60(16) . . ? C38 N8 Eu1 125.88(13) . . ? N9 N8 Eu1 124.85(12) . . ? C39 N9 N8 106.38(16) . . ? C46 N10 C57 117.35(19) . . ? C46 N10 Eu1 122.60(14) . . ? C57 N10 Eu1 117.78(13) . . ? C55 N11 C56 117.6(2) . . ? C55 N11 Eu1 122.96(16) . . ? C56 N11 Eu1 117.64(13) . . ? C2 C1 C6 123.5(2) . . ? C2 C1 H1A 118.2 . . ? C6 C1 H1A 118.2 . . ? C3 C2 C1 118.2(2) . . ? C3 C2 H2A 120.9 . . ? C1 C2 H2A 120.9 . . ? C2 C3 C4 124.1(3) . . ? C2 C3 H3A 117.9 . . ? C4 C3 H3A 117.9 . . ? C3 C4 C5 118.4(3) . . ? C3 C4 H4A 120.8 . . ? C5 C4 H4A 120.8 . . ? C4 C5 C6 118.3(3) . . ? C4 C5 H5A 120.8 . . ? C6 C5 H5A 120.8 . . ? C5 C6 C1 117.4(2) . . ? C5 C6 C7 122.2(2) . . ? C1 C6 C7 120.4(2) . . ? O1 C7 N1 127.8(2) . . ? O1 C7 C6 116.7(2) . . ? N1 C7 C6 115.5(2) . . ? N2 C8 N1 133.3(2) . . ? N2 C8 O2 110.9(2) . . ? N1 C8 O2 115.8(2) . . ? N3 C9 O2 113.1(2) . . ? N3 C9 C10 126.4(2) . . ? O2 C9 C10 120.4(2) . . ? C15 C10 C11 119.7(2) . . ? C15 C10 C9 118.7(2) . . ? C11 C10 C9 121.6(2) . . ? C10 C11 C12 119.3(3) . . ? C10 C11 H11A 120.4 . . ? C12 C11 H11A 120.4 . . ? C13 C12 C11 120.5(3) . . ? C13 C12 H12A 119.7 . . ? C11 C12 H12A 119.7 . . ? C12 C13 C14 120.2(3) . . ? C12 C13 H13A 119.9 . . ? C14 C13 H13A 119.9 . . ? C15 C14 C13 119.5(3) . . ? C15 C14 H14A 120.2 . . ? C13 C14 H14A 120.2 . . ? C10 C15 C14 120.8(3) . . ? C10 C15 H15A 119.6 . . ? C14 C15 H15A 119.6 . . ? C17 C16 C21 123.6(2) . . ? C17 C16 H16A 118.2 . . ? C21 C16 H16A 118.2 . . ? C18 C17 C16 116.2(3) . . ? C18 C17 H17A 121.9 . . ? C16 C17 H17A 121.9 . . ? C17 C18 C19 125.3(3) . . ? C17 C18 H18A 117.4 . . ? C19 C18 H18A 117.4 . . ? C20 C19 C18 117.4(3) . . ? C20 C19 H19A 121.3 . . ? C18 C19 H19A 121.3 . . ? C19 C20 C21 119.6(3) . . ? C19 C20 H20A 120.2 . . ? C21 C20 H20A 120.2 . . ? C16 C21 C20 117.8(2) . . ? C16 C21 C22 119.8(2) . . ? C20 C21 C22 122.4(2) . . ? O3 C22 N4 127.1(2) . . ? O3 C22 C21 118.1(2) . . ? N4 C22 C21 114.76(19) . . ? N5 C23 N4 134.4(2) . . ? N5 C23 O4 110.31(19) . . ? N4 C23 O4 115.16(19) . . ? N6 C24 O4 113.00(19) . . ? N6 C24 C25 128.9(2) . . ? O4 C24 C25 118.10(19) . . ? C30 C25 C26 119.8(2) . . ? C30 C25 C24 121.2(2) . . ? C26 C25 C24 119.0(2) . . ? C27 C26 C25 119.7(3) . . ? C27 C26 H26A 120.1 . . ? C25 C26 H26A 120.1 . . ? C26 C27 C28 119.8(3) . . ? C26 C27 H27A 120.1 . . ? C28 C27 H27A 120.1 . . ? C29 C28 C27 120.1(3) . . ? C29 C28 H28A 119.9 . . ? C27 C28 H28A 119.9 . . ? C28 C29 C30 120.7(3) . . ? C28 C29 H29A 119.7 . . ? C30 C29 H29A 119.7 . . ? C29 C30 C25 119.8(2) . . ? C29 C30 H30A 120.1 . . ? C25 C30 H30A 120.1 . . ? C32 C31 C36 125.0(2) . . ? C32 C31 H31A 117.5 . . ? C36 C31 H31A 117.5 . . ? C33 C32 C31 117.6(2) . . ? C33 C32 H32A 121.2 . . ? C31 C32 H32A 121.2 . . ? C32 C33 C34 124.1(2) . . ? C32 C33 H33A 118.0 . . ? C34 C33 H33A 118.0 . . ? C35 C34 C33 117.4(2) . . ? C35 C34 H34A 121.3 . . ? C33 C34 H34A 121.3 . . ? C34 C35 C36 119.6(2) . . ? C34 C35 H35A 120.2 . . ? C36 C35 H35A 120.2 . . ? C31 C36 C35 116.3(2) . . ? C31 C36 C37 120.7(2) . . ? C35 C36 C37 123.0(2) . . ? O5 C37 N7 126.68(19) . . ? O5 C37 C36 118.12(19) . . ? N7 C37 C36 115.21(18) . . ? N8 C38 N7 134.16(19) . . ? N8 C38 O6 110.28(17) . . ? N7 C38 O6 115.55(18) . . ? N9 C39 O6 112.55(17) . . ? N9 C39 C40 128.85(19) . . ? O6 C39 C40 118.53(18) . . ? C41 C40 C45 118.8(2) . . ? C41 C40 C39 120.78(19) . . ? C45 C40 C39 120.4(2) . . ? C42 C41 C40 120.2(2) . . ? C42 C41 H41A 119.9 . . ? C40 C41 H41A 119.9 . . ? C43 C42 C41 120.6(2) . . ? C43 C42 H42A 119.7 . . ? C41 C42 H42A 119.7 . . ? C42 C43 C44 119.9(2) . . ? C42 C43 H43A 120.1 . . ? C44 C43 H43A 120.1 . . ? C43 C44 C45 119.9(2) . . ? C43 C44 H44A 120.0 . . ? C45 C44 H44A 120.0 . . ? C44 C45 C40 120.6(2) . . ? C44 C45 H45A 119.7 . . ? C40 C45 H45A 119.7 . . ? N10 C46 C47 123.7(2) . . ? N10 C46 H46A 118.2 . . ? C47 C46 H46A 118.2 . . ? C48 C47 C46 119.4(2) . . ? C48 C47 H47A 120.3 . . ? C46 C47 H47A 120.3 . . ? C47 C48 C49 119.5(2) . . ? C47 C48 H48A 120.2 . . ? C49 C48 H48A 120.2 . . ? C48 C49 C57 117.7(2) . . ? C48 C49 C50 123.6(2) . . ? C57 C49 C50 118.7(2) . . ? C51 C50 C49 121.3(2) . . ? C51 C50 H50A 119.4 . . ? C49 C50 H50A 119.4 . . ? C50 C51 C52 121.8(2) . . ? C50 C51 H51A 119.1 . . ? C52 C51 H51A 119.1 . . ? C53 C52 C56 116.7(2) . . ? C53 C52 C51 123.6(2) . . ? C56 C52 C51 119.6(2) . . ? C54 C53 C52 120.3(2) . . ? C54 C53 H53A 119.8 . . ? C52 C53 H53A 119.8 . . ? C53 C54 C55 118.9(2) . . ? C53 C54 H54A 120.5 . . ? C55 C54 H54A 120.5 . . ? N11 C55 C54 122.9(2) . . ? N11 C55 H55A 118.6 . . ? C54 C55 H55A 118.6 . . ? N11 C56 C52 123.5(2) . . ? N11 C56 C57 118.23(19) . . ? C52 C56 C57 118.3(2) . . ? N10 C57 C49 122.34(19) . . ? N10 C57 C56 117.38(19) . . ? C49 C57 C56 120.3(2) . . ? 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 O5 Eu1 O1 C7 -124.3(2) . . . . ? O3 Eu1 O1 C7 32.1(2) . . . . ? N2 Eu1 O1 C7 -30.3(2) . . . . ? N8 Eu1 O1 C7 -72.0(2) . . . . ? N5 Eu1 O1 C7 85.9(2) . . . . ? N10 Eu1 O1 C7 135.6(2) . . . . ? N11 Eu1 O1 C7 158.6(2) . . . . ? O5 Eu1 O3 C22 -166.6(2) . . . . ? O1 Eu1 O3 C22 65.5(3) . . . . ? N2 Eu1 O3 C22 122.3(3) . . . . ? N8 Eu1 O3 C22 -159.0(3) . . . . ? N5 Eu1 O3 C22 8.7(2) . . . . ? N10 Eu1 O3 C22 -77.9(3) . . . . ? N11 Eu1 O3 C22 -35.5(3) . . . . ? O3 Eu1 O5 C37 -4.4(3) . . . . ? O1 Eu1 O5 C37 130.4(2) . . . . ? N2 Eu1 O5 C37 63.3(2) . . . . ? N8 Eu1 O5 C37 -12.4(2) . . . . ? N5 Eu1 O5 C37 -177.2(2) . . . . ? N10 Eu1 O5 C37 -86.3(2) . . . . ? N11 Eu1 O5 C37 -145.3(2) . . . . ? O5 Eu1 N2 C8 108.62(19) . . . . ? O3 Eu1 N2 C8 -99.90(19) . . . . ? O1 Eu1 N2 C8 25.96(18) . . . . ? N8 Eu1 N2 C8 176.85(19) . . . . ? N5 Eu1 N2 C8 -37.79(19) . . . . ? N10 Eu1 N2 C8 -138.45(17) . . . . ? N11 Eu1 N2 C8 43.4(2) . . . . ? O5 Eu1 N2 N3 -93.00(17) . . . . ? O3 Eu1 N2 N3 58.49(16) . . . . ? O1 Eu1 N2 N3 -175.66(18) . . . . ? N8 Eu1 N2 N3 -24.76(16) . . . . ? N5 Eu1 N2 N3 120.60(16) . . . . ? N10 Eu1 N2 N3 19.9(2) . . . . ? N11 Eu1 N2 N3 -158.17(14) . . . . ? C8 N2 N3 C9 0.7(2) . . . . ? Eu1 N2 N3 C9 -161.43(15) . . . . ? O5 Eu1 N5 C23 178.97(17) . . . . ? O3 Eu1 N5 C23 2.84(19) . . . . ? O1 Eu1 N5 C23 -125.9(2) . . . . ? N2 Eu1 N5 C23 -66.2(2) . . . . ? N8 Eu1 N5 C23 25.2(3) . . . . ? N10 Eu1 N5 C23 81.5(2) . . . . ? N11 Eu1 N5 C23 146.2(2) . . . . ? O5 Eu1 N5 N6 -3.7(2) . . . . ? O3 Eu1 N5 N6 -179.86(18) . . . . ? O1 Eu1 N5 N6 51.41(16) . . . . ? N2 Eu1 N5 N6 111.14(17) . . . . ? N8 Eu1 N5 N6 -157.53(15) . . . . ? N10 Eu1 N5 N6 -101.23(17) . . . . ? N11 Eu1 N5 N6 -36.53(16) . . . . ? C23 N5 N6 C24 0.9(3) . . . . ? Eu1 N5 N6 C24 -176.87(15) . . . . ? O5 Eu1 N8 C38 15.77(16) . . . . ? O3 Eu1 N8 C38 -160.11(18) . . . . ? O1 Eu1 N8 C38 -41.6(2) . . . . ? N2 Eu1 N8 C38 -80.64(17) . . . . ? N5 Eu1 N8 C38 179.03(15) . . . . ? N10 Eu1 N8 C38 122.07(18) . . . . ? N11 Eu1 N8 C38 73.19(18) . . . . ? O5 Eu1 N8 N9 174.71(17) . . . . ? O3 Eu1 N8 N9 -1.18(15) . . . . ? O1 Eu1 N8 N9 117.35(15) . . . . ? N2 Eu1 N8 N9 78.30(16) . . . . ? N5 Eu1 N8 N9 -22.0(2) . . . . ? N10 Eu1 N8 N9 -78.99(15) . . . . ? N11 Eu1 N8 N9 -127.88(15) . . . . ? C38 N8 N9 C39 0.8(2) . . . . ? Eu1 N8 N9 C39 -161.53(14) . . . . ? O5 Eu1 N10 C46 109.48(17) . . . . ? O3 Eu1 N10 C46 -39.59(17) . . . . ? O1 Eu1 N10 C46 -156.19(15) . . . . ? N2 Eu1 N10 C46 -0.8(2) . . . . ? N8 Eu1 N10 C46 43.47(17) . . . . ? N5 Eu1 N10 C46 -108.53(18) . . . . ? N11 Eu1 N10 C46 178.12(19) . . . . ? O5 Eu1 N10 C57 -88.08(15) . . . . ? O3 Eu1 N10 C57 122.84(15) . . . . ? O1 Eu1 N10 C57 6.25(19) . . . . ? N2 Eu1 N10 C57 161.64(14) . . . . ? N8 Eu1 N10 C57 -154.09(15) . . . . ? N5 Eu1 N10 C57 53.91(15) . . . . ? N11 Eu1 N10 C57 -19.44(14) . . . . ? O5 Eu1 N11 C55 -66.98(18) . . . . ? O3 Eu1 N11 C55 136.05(18) . . . . ? O1 Eu1 N11 C55 18.23(18) . . . . ? N2 Eu1 N11 C55 2.0(2) . . . . ? N8 Eu1 N11 C55 -121.06(18) . . . . ? N5 Eu1 N11 C55 93.16(19) . . . . ? N10 Eu1 N11 C55 -176.9(2) . . . . ? O5 Eu1 N11 C56 128.78(16) . . . . ? O3 Eu1 N11 C56 -28.19(18) . . . . ? O1 Eu1 N11 C56 -146.01(16) . . . . ? N2 Eu1 N11 C56 -162.24(14) . . . . ? N8 Eu1 N11 C56 74.70(16) . . . . ? N5 Eu1 N11 C56 -71.08(15) . . . . ? N10 Eu1 N11 C56 18.90(14) . . . . ? C6 C1 C2 C3 1.1(4) . . . . ? C1 C2 C3 C4 -0.2(4) . . . . ? C2 C3 C4 C5 -1.3(5) . . . . ? C3 C4 C5 C6 1.8(4) . . . . ? C4 C5 C6 C1 -1.0(4) . . . . ? C4 C5 C6 C7 179.6(2) . . . . ? C2 C1 C6 C5 -0.5(4) . . . . ? C2 C1 C6 C7 178.9(2) . . . . ? Eu1 O1 C7 N1 23.1(4) . . . . ? Eu1 O1 C7 C6 -155.26(15) . . . . ? C8 N1 C7 O1 3.5(3) . . . . ? C8 N1 C7 C6 -178.14(19) . . . . ? C5 C6 C7 O1 -158.6(2) . . . . ? C1 C6 C7 O1 21.9(3) . . . . ? C5 C6 C7 N1 22.8(3) . . . . ? C1 C6 C7 N1 -156.6(2) . . . . ? N3 N2 C8 N1 177.6(2) . . . . ? Eu1 N2 C8 N1 -21.2(4) . . . . ? N3 N2 C8 O2 -0.9(2) . . . . ? Eu1 N2 C8 O2 160.27(13) . . . . ? C7 N1 C8 N2 -1.4(4) . . . . ? C7 N1 C8 O2 177.05(19) . . . . ? C9 O2 C8 N2 0.7(2) . . . . ? C9 O2 C8 N1 -178.09(19) . . . . ? N2 N3 C9 O2 -0.3(3) . . . . ? N2 N3 C9 C10 179.0(2) . . . . ? C8 O2 C9 N3 -0.2(2) . . . . ? C8 O2 C9 C10 -179.6(2) . . . . ? N3 C9 C10 C15 1.3(4) . . . . ? O2 C9 C10 C15 -179.5(2) . . . . ? N3 C9 C10 C11 -177.4(2) . . . . ? O2 C9 C10 C11 1.8(3) . . . . ? C15 C10 C11 C12 0.4(4) . . . . ? C9 C10 C11 C12 179.1(2) . . . . ? C10 C11 C12 C13 -0.3(4) . . . . ? C11 C12 C13 C14 -0.3(4) . . . . ? C12 C13 C14 C15 0.9(4) . . . . ? C11 C10 C15 C14 0.2(4) . . . . ? C9 C10 C15 C14 -178.5(2) . . . . ? C13 C14 C15 C10 -0.9(4) . . . . ? C21 C16 C17 C18 0.3(5) . . . . ? C16 C17 C18 C19 -2.0(5) . . . . ? C17 C18 C19 C20 2.6(6) . . . . ? C18 C19 C20 C21 -1.3(5) . . . . ? C17 C16 C21 C20 0.8(4) . . . . ? C17 C16 C21 C22 -177.6(3) . . . . ? C19 C20 C21 C16 -0.2(4) . . . . ? C19 C20 C21 C22 178.1(3) . . . . ? Eu1 O3 C22 N4 -16.8(4) . . . . ? Eu1 O3 C22 C21 162.05(17) . . . . ? C23 N4 C22 O3 9.5(4) . . . . ? C23 N4 C22 C21 -169.3(2) . . . . ? C16 C21 C22 O3 -14.1(3) . . . . ? C20 C21 C22 O3 167.6(2) . . . . ? C16 C21 C22 N4 164.9(2) . . . . ? C20 C21 C22 N4 -13.5(3) . . . . ? N6 N5 C23 N4 174.8(3) . . . . ? Eu1 N5 C23 N4 -7.5(4) . . . . ? N6 N5 C23 O4 -1.2(3) . . . . ? Eu1 N5 C23 O4 176.45(13) . . . . ? C22 N4 C23 N5 1.8(4) . . . . ? C22 N4 C23 O4 177.7(2) . . . . ? C24 O4 C23 N5 1.1(2) . . . . ? C24 O4 C23 N4 -175.8(2) . . . . ? N5 N6 C24 O4 -0.2(3) . . . . ? N5 N6 C24 C25 -178.4(2) . . . . ? C23 O4 C24 N6 -0.5(3) . . . . ? C23 O4 C24 C25 177.9(2) . . . . ? N6 C24 C25 C30 176.1(3) . . . . ? O4 C24 C25 C30 -2.0(3) . . . . ? N6 C24 C25 C26 -3.5(4) . . . . ? O4 C24 C25 C26 178.5(2) . . . . ? C30 C25 C26 C27 0.3(4) . . . . ? C24 C25 C26 C27 179.8(3) . . . . ? C25 C26 C27 C28 -0.2(5) . . . . ? C26 C27 C28 C29 -0.3(5) . . . . ? C27 C28 C29 C30 0.7(5) . . . . ? C28 C29 C30 C25 -0.7(4) . . . . ? C26 C25 C30 C29 0.2(4) . . . . ? C24 C25 C30 C29 -179.4(2) . . . . ? C36 C31 C32 C33 0.8(4) . . . . ? C31 C32 C33 C34 -0.1(5) . . . . ? C32 C33 C34 C35 -0.3(5) . . . . ? C33 C34 C35 C36 0.1(4) . . . . ? C32 C31 C36 C35 -1.0(4) . . . . ? C32 C31 C36 C37 179.5(2) . . . . ? C34 C35 C36 C31 0.5(4) . . . . ? C34 C35 C36 C37 180.0(2) . . . . ? Eu1 O5 C37 N7 6.2(4) . . . . ? Eu1 O5 C37 C36 -174.09(16) . . . . ? C38 N7 C37 O5 2.5(3) . . . . ? C38 N7 C37 C36 -177.24(19) . . . . ? C31 C36 C37 O5 -6.8(3) . . . . ? C35 C36 C37 O5 173.7(2) . . . . ? C31 C36 C37 N7 172.9(2) . . . . ? C35 C36 C37 N7 -6.6(3) . . . . ? N9 N8 C38 N7 178.6(2) . . . . ? Eu1 N8 C38 N7 -19.3(4) . . . . ? N9 N8 C38 O6 -0.3(2) . . . . ? Eu1 N8 C38 O6 161.80(13) . . . . ? C37 N7 C38 N8 6.4(4) . . . . ? C37 N7 C38 O6 -174.74(18) . . . . ? C39 O6 C38 N8 -0.3(2) . . . . ? C39 O6 C38 N7 -179.40(18) . . . . ? N8 N9 C39 O6 -1.0(2) . . . . ? N8 N9 C39 C40 175.9(2) . . . . ? C38 O6 C39 N9 0.8(2) . . . . ? C38 O6 C39 C40 -176.41(18) . . . . ? N9 C39 C40 C41 176.4(2) . . . . ? O6 C39 C40 C41 -6.8(3) . . . . ? N9 C39 C40 C45 -6.1(4) . . . . ? O6 C39 C40 C45 170.6(2) . . . . ? C45 C40 C41 C42 -1.4(4) . . . . ? C39 C40 C41 C42 176.1(2) . . . . ? C40 C41 C42 C43 -0.9(4) . . . . ? C41 C42 C43 C44 2.8(4) . . . . ? C42 C43 C44 C45 -2.5(4) . . . . ? C43 C44 C45 C40 0.2(4) . . . . ? C41 C40 C45 C44 1.7(3) . . . . ? C39 C40 C45 C44 -175.8(2) . . . . ? C57 N10 C46 C47 -0.8(3) . . . . ? Eu1 N10 C46 C47 161.73(18) . . . . ? N10 C46 C47 C48 -0.7(4) . . . . ? C46 C47 C48 C49 1.5(4) . . . . ? C47 C48 C49 C57 -0.9(3) . . . . ? C47 C48 C49 C50 179.1(2) . . . . ? C48 C49 C50 C51 -178.4(3) . . . . ? C57 C49 C50 C51 1.6(4) . . . . ? C49 C50 C51 C52 0.8(4) . . . . ? C50 C51 C52 C53 177.8(3) . . . . ? C50 C51 C52 C56 -3.2(4) . . . . ? C56 C52 C53 C54 1.0(4) . . . . ? C51 C52 C53 C54 180.0(3) . . . . ? C52 C53 C54 C55 -2.3(4) . . . . ? C56 N11 C55 C54 0.5(4) . . . . ? Eu1 N11 C55 C54 -163.7(2) . . . . ? C53 C54 C55 N11 1.6(4) . . . . ? C55 N11 C56 C52 -2.0(3) . . . . ? Eu1 N11 C56 C52 163.10(17) . . . . ? C55 N11 C56 C57 177.2(2) . . . . ? Eu1 N11 C56 C57 -17.6(2) . . . . ? C53 C52 C56 N11 1.2(3) . . . . ? C51 C52 C56 N11 -177.8(2) . . . . ? C53 C52 C56 C57 -178.0(2) . . . . ? C51 C52 C56 C57 3.0(3) . . . . ? C46 N10 C57 C49 1.4(3) . . . . ? Eu1 N10 C57 C49 -161.98(16) . . . . ? C46 N10 C57 C56 -177.5(2) . . . . ? Eu1 N10 C57 C56 19.1(2) . . . . ? C48 C49 C57 N10 -0.6(3) . . . . ? C50 C49 C57 N10 179.4(2) . . . . ? C48 C49 C57 C56 178.3(2) . . . . ? C50 C49 C57 C56 -1.7(3) . . . . ? N11 C56 C57 N10 -0.9(3) . . . . ? C52 C56 C57 N10 178.3(2) . . . . ? N11 C56 C57 C49 -179.8(2) . . . . ? C52 C56 C57 C49 -0.6(3) . . . . ? _diffrn_measured_fraction_theta_max 0.990 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.726 _refine_diff_density_min -0.506 _refine_diff_density_rms 0.070 # Attachment 'cif-complex3.cif' data_p-1 _database_code_depnum_ccdc_archive 'CCDC 705018' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C122 H84 Cl24 Eu2 N26 Na2 O16' _chemical_formula_weight 3370.85 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' 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' Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 15.772(3) _cell_length_b 16.611(3) _cell_length_c 17.450(4) _cell_angle_alpha 61.65(3) _cell_angle_beta 64.05(3) _cell_angle_gamma 72.30(3) _cell_volume 3590.8(18) _cell_formula_units_Z 1 _cell_measurement_temperature 291(2) _cell_measurement_reflns_used 221 _cell_measurement_theta_min 2.5 _cell_measurement_theta_max 26.0 _exptl_crystal_description prismatic _exptl_crystal_colour 'pale yellow' _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.559 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1682 _exptl_absorpt_coefficient_mu 1.387 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.7689 _exptl_absorpt_correction_T_max 0.8738 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 291(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 Rigaku-Raxis-IV _diffrn_measurement_method 'Oscillation frames' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 46267 _diffrn_reflns_av_R_equivalents 0.0676 _diffrn_reflns_av_sigmaI/netI 0.0250 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 1.42 _diffrn_reflns_theta_max 27.53 _reflns_number_total 16267 _reflns_number_gt 13074 _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^)+(0.1120P)^2^+7.3000P] 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 noref _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0037(2) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 16267 _refine_ls_number_parameters 849 _refine_ls_number_restraints 12 _refine_ls_R_factor_all 0.0670 _refine_ls_R_factor_gt 0.0617 _refine_ls_wR_factor_ref 0.1742 _refine_ls_wR_factor_gt 0.1687 _refine_ls_goodness_of_fit_ref 1.033 _refine_ls_restrained_S_all 1.033 _refine_ls_shift/su_max 0.028 _refine_ls_shift/su_mean 0.012 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 -0.037702(9) -0.012361(8) 0.124568(8) 0.03810(3) Uani 1 1 d . . . Na1 Na -0.07809(8) -0.20408(8) 0.09546(7) 0.0503(3) Uani 1 1 d . . . O1 O -0.20194(15) -0.01191(16) 0.21114(16) 0.0620(8) Uani 1 1 d . . . O2 O -0.26115(15) 0.24123(16) 0.02657(16) 0.0605(8) Uani 1 1 d . . . O3 O -0.05244(15) -0.04558(15) 0.27731(12) 0.0551(6) Uani 1 1 d . . . O4 O 0.09475(16) 0.16388(15) 0.18289(14) 0.0613(6) Uani 1 1 d . . . O5 O -0.05440(14) -0.17474(13) 0.20777(13) 0.0492(6) Uani 1 1 d . . . O6 O 0.21702(15) -0.23049(16) 0.19760(15) 0.0600(7) Uani 1 1 d . . . O7 O -0.07563(12) -0.04341(12) 0.02540(11) 0.0405(5) Uani 1 1 d . . . O8 O -0.27037(15) -0.42202(15) 0.33919(15) 0.0584(7) Uani 1 1 d . . . N1 N -0.3034(2) 0.1143(2) 0.15851(19) 0.0612(9) Uani 1 1 d . . . N2 N -0.13810(18) 0.14372(17) 0.05764(16) 0.0509(7) Uani 1 1 d . . . N3 N -0.10481(18) 0.22282(18) -0.02187(17) 0.0537(8) Uani 1 1 d . . . N4 N 0.03326(19) 0.03047(18) 0.29402(16) 0.0561(7) Uani 1 1 d . . . N5 N 0.03587(18) 0.09998(17) 0.13385(15) 0.0500(7) Uani 1 1 d . . . N6 N 0.06963(19) 0.18316(16) 0.06007(16) 0.0523(7) Uani 1 1 d . . . N7 N 0.05998(18) -0.25087(19) 0.27645(18) 0.0565(8) Uani 1 1 d . . . N8 N 0.11975(17) -0.11458(18) 0.13867(16) 0.0508(7) Uani 1 1 d . . . N9 N 0.21443(18) -0.09326(19) 0.08373(17) 0.0551(8) Uani 1 1 d . . . N10 N -0.2643(2) -0.1921(2) 0.1608(2) 0.0653(9) Uani 1 1 d . . . N11 N -0.1471(2) -0.3573(2) 0.22022(19) 0.0613(9) Uani 1 1 d . . . N12 N -0.1144(2) -0.4449(2) 0.2754(2) 0.0653(10) Uani 1 1 d . . . N13 N -0.2751(2) -0.6000(3) 0.4739(3) 0.0857(14) Uani 1 1 d . . . C1 C -0.4569(3) 0.0237(3) 0.3141(3) 0.0769(13) Uani 1 1 d . . . H1A H -0.4717 0.0703 0.2630 0.092 Uiso 1 1 calc R . . C2 C -0.5299(3) -0.0140(3) 0.3971(4) 0.0951(18) Uani 1 1 d . . . H2A H -0.5928 0.0082 0.4016 0.114 Uiso 1 1 calc R . . C3 C -0.5093(4) -0.0833(3) 0.4719(4) 0.107(2) Uani 1 1 d . . . H3A H -0.5580 -0.1097 0.5270 0.128 Uiso 1 1 calc R . . C4 C -0.4162(4) -0.1142(4) 0.4657(3) 0.100(2) Uani 1 1 d . . . H4A H -0.4022 -0.1611 0.5171 0.120 Uiso 1 1 calc R . . C5 C -0.3419(3) -0.0758(3) 0.3828(3) 0.0786(16) Uani 1 1 d . . . H5A H -0.2790 -0.0966 0.3794 0.094 Uiso 1 1 calc R . . C6 C -0.3628(2) -0.0071(2) 0.3064(2) 0.0586(10) Uani 1 1 d . . . C7 C -0.2825(2) 0.0322(2) 0.2201(2) 0.0534(9) Uani 1 1 d . . . C8 C -0.2321(2) 0.1585(2) 0.0850(2) 0.0504(9) Uani 1 1 d . . . C9 C -0.1774(2) 0.2769(2) -0.0380(2) 0.0559(10) Uani 1 1 d . . . C10 C -0.1871(3) 0.3691(2) -0.1094(2) 0.0620(11) Uani 1 1 d . . . C11 C -0.2740(3) 0.4085(3) -0.1213(3) 0.0800(15) Uani 1 1 d . . . H11A H -0.3263 0.3759 -0.0839 0.096 Uiso 1 1 calc R . . C12 C -0.2830(4) 0.4960(3) -0.1884(3) 0.097(2) Uani 1 1 d . . . H12A H -0.3414 0.5222 -0.1961 0.116 Uiso 1 1 calc R . . C13 C -0.2075(4) 0.5437(4) -0.2426(4) 0.112(2) Uani 1 1 d . . . H13A H -0.2136 0.6021 -0.2885 0.134 Uiso 1 1 calc R . . C14 C -0.1222(4) 0.5062(4) -0.2303(4) 0.123(3) Uani 1 1 d . . . H14A H -0.0706 0.5399 -0.2670 0.148 Uiso 1 1 calc R . . C15 C -0.1119(3) 0.4195(3) -0.1642(3) 0.096(2) Uani 1 1 d . . . H15A H -0.0533 0.3947 -0.1566 0.115 Uiso 1 1 calc R . . C16 C -0.1166(3) -0.1516(3) 0.4662(2) 0.0670(10) Uani 1 1 d . . . H16A H -0.1440 -0.1533 0.4295 0.080 Uiso 1 1 calc R . . C17 C -0.1437(3) -0.2072(3) 0.5593(3) 0.0863(15) Uani 1 1 d . . . H17A H -0.1899 -0.2457 0.5852 0.104 Uiso 1 1 calc R . . C18 C -0.1035(4) -0.2069(3) 0.6147(2) 0.0861(15) Uani 1 1 d . . . H18A H -0.1224 -0.2447 0.6778 0.103 Uiso 1 1 calc R . . C19 C -0.0344(3) -0.1497(3) 0.5758(2) 0.0803(12) Uani 1 1 d . . . H19A H -0.0059 -0.1497 0.6125 0.096 Uiso 1 1 calc R . . C20 C -0.0078(3) -0.0927(2) 0.4823(2) 0.0618(9) Uani 1 1 d . . . H20A H 0.0379 -0.0537 0.4566 0.074 Uiso 1 1 calc R . . C21 C -0.0490(2) -0.0933(2) 0.42652(18) 0.0502(8) Uani 1 1 d . . . C22 C -0.0206(2) -0.03378(19) 0.32481(18) 0.0470(8) Uani 1 1 d . . . C23 C 0.0517(2) 0.0920(2) 0.20568(19) 0.0497(7) Uani 1 1 d . . . C24 C 0.1024(2) 0.2186(2) 0.09192(19) 0.0553(8) Uani 1 1 d . . . C25 C 0.1401(3) 0.3060(2) 0.0480(2) 0.0623(10) Uani 1 1 d . . . C26 C 0.1960(3) 0.3218(3) 0.0804(3) 0.0819(12) Uani 1 1 d . . . H26A H 0.2123 0.2754 0.1306 0.098 Uiso 1 1 calc R . . C27 C 0.2281(4) 0.4070(3) 0.0379(4) 0.1113(16) Uani 1 1 d . . . H27A H 0.2660 0.4175 0.0600 0.134 Uiso 1 1 calc R . . C28 C 0.2050(4) 0.4746(3) -0.0345(4) 0.1135(19) Uani 1 1 d . . . H28A H 0.2281 0.5310 -0.0631 0.136 Uiso 1 1 calc R . . C29 C 0.1483(5) 0.4612(4) -0.0662(4) 0.119(2) Uani 1 1 d . . . H29A H 0.1319 0.5089 -0.1158 0.143 Uiso 1 1 calc R . . C30 C 0.1140(4) 0.3765(3) -0.0254(3) 0.0942(14) Uani 1 1 d . . . H30A H 0.0746 0.3675 -0.0470 0.113 Uiso 1 1 calc R . . C31 C -0.1918(2) -0.2712(2) 0.3727(2) 0.0592(9) Uani 1 1 d . . . H31A H -0.2124 -0.2206 0.3274 0.071 Uiso 1 1 calc R . . C32 C -0.2580(3) -0.3243(3) 0.4543(3) 0.0728(12) Uani 1 1 d . . . H32A H -0.3224 -0.3097 0.4626 0.087 Uiso 1 1 calc R . . C33 C -0.2276(3) -0.3984(3) 0.5221(3) 0.0784(14) Uani 1 1 d . . . H33A H -0.2717 -0.4326 0.5770 0.094 Uiso 1 1 calc R . . C34 C -0.1326(3) -0.4218(3) 0.5088(3) 0.0779(14) Uani 1 1 d . . . H34A H -0.1126 -0.4724 0.5545 0.093 Uiso 1 1 calc R . . C35 C -0.0660(3) -0.3708(2) 0.4282(2) 0.0655(12) Uani 1 1 d . . . H35A H -0.0017 -0.3875 0.4197 0.079 Uiso 1 1 calc R . . C36 C -0.0956(2) -0.2939(2) 0.35923(19) 0.0518(8) Uani 1 1 d . . . C37 C -0.0261(2) -0.2354(2) 0.27425(18) 0.0484(7) Uani 1 1 d . . . C38 C 0.1253(2) -0.1962(2) 0.2040(2) 0.0533(9) Uani 1 1 d . . . C39 C 0.2679(2) -0.1626(2) 0.1211(2) 0.0562(9) Uani 1 1 d . . . C40 C 0.3714(2) -0.1780(3) 0.0940(2) 0.0640(11) Uani 1 1 d . . . C41 C 0.4252(3) -0.1109(4) 0.0248(4) 0.106(2) Uani 1 1 d . . . H41A H 0.3961 -0.0540 -0.0063 0.127 Uiso 1 1 calc R . . C42 C 0.5230(4) -0.1257(5) -0.0005(4) 0.121(3) Uani 1 1 d . . . H42A H 0.5583 -0.0784 -0.0490 0.145 Uiso 1 1 calc R . . C43 C 0.5680(3) -0.2049(4) 0.0423(4) 0.1039(18) Uani 1 1 d . . . H43A H 0.6339 -0.2138 0.0240 0.125 Uiso 1 1 calc R . . C44 C 0.5140(3) -0.2742(4) 0.1150(4) 0.113(2) Uani 1 1 d . . . H44A H 0.5439 -0.3299 0.1470 0.136 Uiso 1 1 calc R . . C45 C 0.4173(3) -0.2615(3) 0.1402(3) 0.0901(18) Uani 1 1 d . . . H45A H 0.3821 -0.3090 0.1884 0.108 Uiso 1 1 calc R . . C46 C -0.3229(3) -0.1142(3) 0.1397(3) 0.0768(13) Uani 1 1 d . . . H46A H -0.2969 -0.0626 0.0887 0.092 Uiso 1 1 calc R . . C47 C -0.4174(3) -0.1050(3) 0.1872(3) 0.0872(17) Uani 1 1 d . . . H47A H -0.4546 -0.0492 0.1674 0.105 Uiso 1 1 calc R . . C48 C -0.4579(3) -0.1788(4) 0.2651(4) 0.097(2) Uani 1 1 d . . . H48A H -0.5220 -0.1736 0.3008 0.117 Uiso 1 1 calc R . . C49 C -0.3994(3) -0.2614(3) 0.2880(3) 0.0800(16) Uani 1 1 d . . . H49A H -0.4242 -0.3137 0.3387 0.096 Uiso 1 1 calc R . . C50 C -0.3045(2) -0.2649(2) 0.2354(2) 0.0598(9) Uani 1 1 d . . . C51 C -0.2375(2) -0.3465(2) 0.2600(2) 0.0535(9) Uani 1 1 d . . . C52 C -0.1881(2) -0.4799(2) 0.3441(2) 0.0578(10) Uani 1 1 d . . . C53 C -0.1923(2) -0.5678(2) 0.4259(2) 0.0586(10) Uani 1 1 d . . . C54 C -0.1129(3) -0.6089(3) 0.4494(3) 0.0751(13) Uani 1 1 d . . . H54A H -0.0564 -0.5828 0.4134 0.090 Uiso 1 1 calc R . . C55 C -0.1181(3) -0.6902(3) 0.5279(3) 0.0855(14) Uani 1 1 d . . . H55A H -0.0652 -0.7198 0.5456 0.103 Uiso 1 1 calc R . . C56 C -0.2022(4) -0.7257(3) 0.5785(3) 0.0884(16) Uani 1 1 d . . . H56A H -0.2082 -0.7800 0.6317 0.106 Uiso 1 1 calc R . . C57 C -0.2779(4) -0.6801(4) 0.5497(4) 0.106(2) Uani 1 1 d . . . H57A H -0.3348 -0.7057 0.5842 0.127 Uiso 1 1 calc R . . C59 C -0.7529(4) 0.0174(4) 0.2942(3) 0.1212(17) Uani 1 1 d D . . H59A H -0.8189 0.0449 0.3014 0.145 Uiso 1 1 calc R . . C60 C 0.5656(3) -0.5618(3) 0.3865(3) 0.0982(17) Uani 1 1 d D . . H60A H 0.6030 -0.5565 0.4160 0.118 Uiso 1 1 calc R . . C61 C 0.4768(3) -0.2931(3) -0.1688(3) 0.103(2) Uani 1 1 d D . . H61A H 0.4236 -0.2438 -0.1730 0.124 Uiso 1 1 calc R . . Cl4 Cl -0.71543(14) -0.03703(12) 0.21921(12) 0.1489(7) Uani 1 1 d D . . Cl5 Cl -0.74803(10) -0.06026(12) 0.40449(11) 0.1281(6) Uani 1 1 d D . . Cl6 Cl -0.68319(10) 0.10649(10) 0.24592(11) 0.1123(5) Uani 1 1 d D . . Cl7 Cl 0.45840(12) -0.49457(14) 0.41176(17) 0.1705(8) Uani 1 1 d D . . Cl8 Cl 0.54727(14) -0.67608(12) 0.43726(15) 0.1491(8) Uani 1 1 d D . . Cl9 Cl 0.63106(15) -0.52411(12) 0.26769(11) 0.1322(7) Uani 1 1 d D . . Cl10 Cl 0.5615(2) -0.27293(16) -0.27794(14) 0.1899(14) Uani 1 1 d D . . Cl11 Cl 0.43505(16) -0.39866(14) -0.12102(18) 0.1784(9) Uani 1 1 d D . . Cl12 Cl 0.52431(14) -0.29558(17) -0.09621(15) 0.1668(8) Uani 1 1 d D . . C58 C 0.2151(4) -0.2391(4) 0.7135(3) 0.1212(17) Uani 1 1 d D . . H58 H 0.2793 -0.2727 0.7034 0.145 Uiso 1 1 calc R . . Cl1 Cl 0.1601(3) -0.2755(2) 0.6730(2) 0.2455(10) Uani 1 1 d D . . Cl2 Cl 0.2289(3) -0.1272(2) 0.6518(2) 0.2455(10) Uani 1 1 d D . . Cl3 Cl 0.1617(3) -0.2734(2) 0.8273(2) 0.2455(10) Uani 1 1 d D . . 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 0.04279(5) 0.03811(6) 0.03174(4) -0.00932(4) -0.01613(4) -0.00583(4) Na1 0.0615(5) 0.0438(5) 0.0412(4) -0.0073(4) -0.0193(4) -0.0149(4) O1 0.0403(10) 0.0596(12) 0.0568(11) -0.0097(9) -0.0088(9) -0.0039(9) O2 0.0505(10) 0.0546(12) 0.0559(10) -0.0077(9) -0.0199(8) -0.0024(9) O3 0.0750(10) 0.0627(10) 0.0323(7) -0.0119(6) -0.0214(7) -0.0220(9) O4 0.0871(11) 0.0611(10) 0.0430(8) -0.0102(7) -0.0245(8) -0.0336(9) O5 0.0574(9) 0.0427(9) 0.0452(8) -0.0058(6) -0.0276(6) -0.0081(7) O6 0.0511(10) 0.0582(12) 0.0531(10) -0.0091(8) -0.0218(8) -0.0009(9) O7 0.0464(7) 0.0416(8) 0.0326(6) -0.0085(5) -0.0166(6) -0.0106(6) O8 0.0563(10) 0.0495(11) 0.0550(10) -0.0077(8) -0.0169(8) -0.0140(8) N1 0.0556(13) 0.0529(14) 0.0560(13) -0.0089(10) -0.0183(11) -0.0057(11) N2 0.0538(11) 0.0476(12) 0.0421(10) -0.0102(8) -0.0173(9) -0.0069(9) N3 0.0541(12) 0.0452(12) 0.0471(11) -0.0095(9) -0.0164(9) -0.0043(10) N4 0.0727(12) 0.0567(12) 0.0405(9) -0.0089(8) -0.0230(9) -0.0227(10) N5 0.0630(11) 0.0498(11) 0.0345(9) -0.0085(7) -0.0186(8) -0.0149(9) N6 0.0720(12) 0.0426(11) 0.0425(9) -0.0099(7) -0.0215(9) -0.0169(9) N7 0.0527(11) 0.0504(14) 0.0486(11) -0.0024(10) -0.0226(9) -0.0055(10) N8 0.0500(11) 0.0521(13) 0.0380(9) -0.0069(8) -0.0182(8) -0.0048(10) N9 0.0506(11) 0.0582(14) 0.0458(10) -0.0123(9) -0.0185(9) -0.0048(10) N10 0.0692(13) 0.0574(15) 0.0582(13) -0.0036(11) -0.0280(11) -0.0179(11) N11 0.0651(14) 0.0544(14) 0.0529(12) -0.0108(10) -0.0190(11) -0.0128(11) N12 0.0649(15) 0.0557(15) 0.0563(14) -0.0102(11) -0.0152(12) -0.0128(12) N13 0.0684(17) 0.070(2) 0.077(2) 0.0055(16) -0.0230(15) -0.0174(15) C1 0.0548(16) 0.084(2) 0.084(2) -0.0286(17) -0.0177(15) -0.0165(16) C2 0.055(2) 0.105(3) 0.103(3) -0.042(2) -0.001(2) -0.021(2) C3 0.086(3) 0.092(3) 0.094(3) -0.033(2) 0.022(2) -0.036(2) C4 0.095(3) 0.084(3) 0.062(2) -0.005(2) -0.002(2) -0.015(2) C5 0.074(2) 0.067(2) 0.0549(18) -0.0056(16) -0.0103(17) -0.0073(18) C6 0.0528(14) 0.0495(15) 0.0637(15) -0.0190(11) -0.0135(12) -0.0105(12) C7 0.0529(13) 0.0489(14) 0.0511(13) -0.0136(10) -0.0171(11) -0.0091(11) C8 0.0536(13) 0.0397(13) 0.0467(12) -0.0068(10) -0.0196(10) -0.0057(11) C9 0.0614(16) 0.0472(15) 0.0447(12) -0.0129(10) -0.0151(11) -0.0026(12) C10 0.0662(17) 0.0491(17) 0.0449(14) -0.0068(11) -0.0179(13) 0.0037(14) C11 0.083(2) 0.058(2) 0.081(2) -0.0074(16) -0.0436(16) 0.0027(17) C12 0.094(3) 0.074(3) 0.080(2) -0.004(2) -0.040(2) 0.013(2) C13 0.111(3) 0.077(3) 0.076(3) 0.011(2) -0.029(2) 0.005(3) C14 0.089(3) 0.077(3) 0.094(3) 0.016(3) 0.001(3) -0.006(3) C15 0.064(2) 0.069(3) 0.081(3) 0.004(2) -0.007(2) -0.0005(19) C16 0.0856(18) 0.0713(17) 0.0466(13) -0.0141(11) -0.0232(12) -0.0283(15) C17 0.106(3) 0.088(2) 0.0509(17) -0.0103(16) -0.0121(18) -0.0469(19) C18 0.125(3) 0.083(2) 0.0363(14) -0.0088(14) -0.0190(17) -0.034(2) C19 0.124(2) 0.081(2) 0.0460(12) -0.0151(12) -0.0441(13) -0.0198(19) C20 0.0836(17) 0.0601(16) 0.0447(12) -0.0133(10) -0.0261(12) -0.0198(14) C21 0.0662(14) 0.0493(13) 0.0361(10) -0.0148(8) -0.0189(9) -0.0103(11) C22 0.0527(13) 0.0428(12) 0.0389(10) -0.0117(9) -0.0148(9) -0.0070(10) C23 0.0582(12) 0.0504(13) 0.0424(10) -0.0118(9) -0.0201(9) -0.0167(10) C24 0.0732(15) 0.0533(14) 0.0398(11) -0.0129(9) -0.0185(11) -0.0199(12) C25 0.0806(18) 0.0562(15) 0.0460(13) -0.0161(10) -0.0124(13) -0.0250(13) C26 0.099(2) 0.081(2) 0.0704(18) -0.0191(15) -0.0265(16) -0.0405(17) C27 0.147(3) 0.096(2) 0.110(3) -0.0274(18) -0.042(2) -0.068(2) C28 0.161(4) 0.083(2) 0.093(3) -0.023(2) -0.023(3) -0.063(2) C29 0.191(4) 0.079(3) 0.084(3) 0.001(2) -0.051(3) -0.063(3) C30 0.156(3) 0.065(2) 0.0697(18) -0.0056(15) -0.0511(19) -0.043(2) C31 0.0647(15) 0.0582(16) 0.0544(13) -0.0148(11) -0.0276(11) -0.0097(13) C32 0.0656(17) 0.075(2) 0.0723(19) -0.0222(15) -0.0178(15) -0.0227(15) C33 0.090(2) 0.073(2) 0.0553(18) -0.0086(15) -0.0145(17) -0.0343(17) C34 0.098(2) 0.054(2) 0.0569(18) 0.0033(15) -0.0279(17) -0.0191(17) C35 0.0754(18) 0.0499(17) 0.0541(15) -0.0045(12) -0.0255(13) -0.0088(14) C36 0.0597(14) 0.0492(14) 0.0428(11) -0.0111(9) -0.0200(10) -0.0108(11) C37 0.0596(12) 0.0438(12) 0.0447(10) -0.0132(8) -0.0265(9) -0.0046(10) C38 0.0504(13) 0.0587(16) 0.0431(11) -0.0128(10) -0.0213(10) -0.0020(12) C39 0.0512(13) 0.0641(17) 0.0463(12) -0.0167(11) -0.0195(10) -0.0033(12) C40 0.0491(14) 0.079(2) 0.0570(14) -0.0258(13) -0.0222(11) 0.0041(14) C41 0.055(2) 0.115(4) 0.090(3) -0.004(3) -0.021(2) -0.006(2) C42 0.059(2) 0.142(5) 0.098(4) -0.020(3) -0.004(2) -0.015(3) C43 0.054(2) 0.145(3) 0.123(3) -0.078(2) -0.0283(19) 0.011(2) C44 0.077(2) 0.116(4) 0.153(3) -0.056(3) -0.065(2) 0.022(2) C45 0.067(2) 0.085(3) 0.100(3) -0.023(2) -0.0386(18) 0.006(2) C46 0.0772(18) 0.0575(19) 0.083(2) -0.0015(15) -0.0387(15) -0.0200(15) C47 0.082(2) 0.063(2) 0.092(3) -0.0090(19) -0.0382(19) -0.0031(19) C48 0.070(2) 0.085(3) 0.093(3) -0.012(2) -0.020(2) -0.005(2) C49 0.068(2) 0.069(2) 0.073(2) -0.0062(18) -0.0219(17) -0.0114(17) C50 0.0652(15) 0.0562(16) 0.0553(14) -0.0120(11) -0.0251(12) -0.0150(13) C51 0.0618(14) 0.0467(14) 0.0470(12) -0.0094(10) -0.0186(11) -0.0165(11) C52 0.0578(14) 0.0546(15) 0.0536(14) -0.0148(11) -0.0164(12) -0.0134(12) C53 0.0622(15) 0.0448(15) 0.0571(15) -0.0108(11) -0.0188(12) -0.0107(12) C54 0.0762(19) 0.063(2) 0.0797(19) -0.0165(15) -0.0347(16) -0.0085(16) C55 0.104(2) 0.068(2) 0.090(2) -0.0177(16) -0.0579(17) -0.0038(19) C56 0.119(3) 0.056(2) 0.073(2) -0.0016(16) -0.044(2) -0.012(2) C57 0.090(3) 0.084(3) 0.089(3) 0.014(2) -0.023(2) -0.037(2) C59 0.128(3) 0.133(3) 0.102(2) -0.043(2) -0.033(2) -0.032(2) C60 0.073(2) 0.115(3) 0.106(3) -0.061(2) -0.003(2) -0.026(2) C61 0.083(3) 0.095(3) 0.121(3) -0.050(2) -0.028(2) 0.003(2) Cl4 0.1536(12) 0.1600(9) 0.1320(9) -0.0876(7) 0.0156(9) -0.0682(9) Cl5 0.1252(7) 0.1328(10) 0.1171(8) -0.0018(7) -0.0635(6) -0.0529(7) Cl6 0.1168(7) 0.1022(8) 0.1141(8) -0.0203(6) -0.0466(6) -0.0376(6) Cl7 0.0797(8) 0.1914(11) 0.2762(16) -0.1603(10) -0.0369(9) 0.0123(9) Cl8 0.1280(11) 0.1211(10) 0.1734(15) -0.0612(9) -0.0095(11) -0.0452(8) Cl9 0.1539(13) 0.1281(10) 0.1027(8) -0.0504(7) -0.0316(9) -0.0148(10) Cl10 0.203(2) 0.1439(15) 0.0997(11) -0.0265(11) -0.0118(13) 0.0360(15) Cl11 0.1502(14) 0.1668(11) 0.2326(16) -0.1203(10) -0.0132(13) -0.0508(11) Cl12 0.1432(11) 0.2161(16) 0.1843(12) -0.0944(11) -0.0766(9) -0.0232(12) C58 0.128(3) 0.133(3) 0.102(2) -0.043(2) -0.033(2) -0.032(2) Cl1 0.321(2) 0.1905(12) 0.2575(13) -0.1172(9) -0.1298(14) 0.0178(14) Cl2 0.321(2) 0.1905(12) 0.2575(13) -0.1172(9) -0.1298(14) 0.0178(14) Cl3 0.321(2) 0.1905(12) 0.2575(13) -0.1172(9) -0.1298(14) 0.0178(14) _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 O7 2.3480(19) 2 ? Eu1 O7 2.358(2) . ? Eu1 O1 2.359(2) . ? Eu1 O3 2.367(2) . ? Eu1 O5 2.415(2) . ? Eu1 N5 2.574(3) . ? Eu1 N8 2.585(3) . ? Eu1 N2 2.615(3) . ? Na1 O7 2.354(2) . ? Na1 O5 2.424(3) . ? Na1 N6 2.514(3) 2 ? Na1 N3 2.580(3) 2 ? Na1 N11 2.598(3) . ? Na1 N10 2.626(3) . ? Na1 Eu1 3.968(2) 2 ? O1 C7 1.242(4) . ? O2 C8 1.354(3) . ? O2 C9 1.380(4) . ? O3 C22 1.247(4) . ? O4 C23 1.360(4) . ? O4 C24 1.375(4) . ? O5 C37 1.276(3) . ? O6 C38 1.359(4) . ? O6 C39 1.372(4) . ? O7 Eu1 2.3480(19) 2 ? O8 C51 1.369(3) . ? O8 C52 1.369(4) . ? N1 C7 1.330(4) . ? N1 C8 1.339(4) . ? N2 C8 1.326(4) . ? N2 N3 1.406(3) . ? N3 C9 1.270(4) . ? N3 Na1 2.580(3) 2 ? N4 C22 1.325(4) . ? N4 C23 1.341(3) . ? N5 C23 1.322(4) . ? N5 N6 1.417(3) . ? N6 C24 1.292(5) . ? N6 Na1 2.514(3) 2 ? N7 C37 1.318(4) . ? N7 C38 1.350(4) . ? N8 C38 1.301(4) . ? N8 N9 1.422(3) . ? N9 C39 1.280(4) . ? N10 C46 1.335(5) . ? N10 C50 1.344(4) . ? N11 C51 1.282(4) . ? N11 N12 1.399(4) . ? N12 C52 1.287(4) . ? N13 C53 1.318(5) . ? N13 C57 1.354(6) . ? C1 C6 1.383(5) . ? C1 C2 1.390(5) . ? C1 H1A 0.9300 . ? C2 C3 1.360(7) . ? C2 H2A 0.9300 . ? C3 C4 1.373(8) . ? C3 H3A 0.9300 . ? C4 C5 1.403(6) . ? C4 H4A 0.9300 . ? C5 C6 1.378(5) . ? C5 H5A 0.9300 . ? C6 C7 1.483(4) . ? C9 C10 1.461(4) . ? C10 C15 1.369(6) . ? C10 C11 1.387(6) . ? C11 C12 1.381(6) . ? C11 H11A 0.9300 . ? C12 C13 1.347(8) . ? C12 H12A 0.9300 . ? C13 C14 1.365(9) . ? C13 H13A 0.9300 . ? C14 C15 1.369(6) . ? C14 H14A 0.9300 . ? C15 H15A 0.9300 . ? C16 C17 1.373(5) . ? C16 C21 1.377(5) . ? C16 H16A 0.9300 . ? C17 C18 1.370(8) . ? C17 H17A 0.9300 . ? C18 C19 1.386(7) . ? C18 H18A 0.9300 . ? C19 C20 1.381(4) . ? C19 H19A 0.9300 . ? C20 C21 1.393(6) . ? C20 H20A 0.9300 . ? C21 C22 1.495(4) . ? C24 C25 1.456(5) . ? C25 C26 1.371(7) . ? C25 C30 1.387(6) . ? C26 C27 1.387(6) . ? C26 H26A 0.9300 . ? C27 C28 1.340(8) . ? C27 H27A 0.9300 . ? C28 C29 1.351(10) . ? C28 H28A 0.9300 . ? C29 C30 1.398(7) . ? C29 H29A 0.9300 . ? C30 H30A 0.9300 . ? C31 C36 1.386(5) . ? C31 C32 1.401(5) . ? C31 H31A 0.9300 . ? C32 C33 1.378(6) . ? C32 H32A 0.9300 . ? C33 C34 1.370(6) . ? C33 H33A 0.9300 . ? C34 C35 1.384(5) . ? C34 H34A 0.9300 . ? C35 C36 1.402(4) . ? C35 H35A 0.9300 . ? C36 C37 1.484(4) . ? C39 C40 1.462(5) . ? C40 C41 1.349(6) . ? C40 C45 1.392(6) . ? C41 C42 1.383(7) . ? C41 H41A 0.9300 . ? C42 C43 1.325(8) . ? C42 H42A 0.9300 . ? C43 C44 1.387(7) . ? C43 H43A 0.9300 . ? C44 C45 1.367(6) . ? C44 H44A 0.9300 . ? C45 H45A 0.9300 . ? C46 C47 1.353(6) . ? C46 H46A 0.9300 . ? C47 C48 1.376(6) . ? C47 H47A 0.9300 . ? C48 C49 1.387(6) . ? C48 H48A 0.9300 . ? C49 C50 1.372(5) . ? C49 H49A 0.9300 . ? C50 C51 1.453(4) . ? C52 C53 1.473(4) . ? C53 C54 1.365(6) . ? C54 C55 1.385(5) . ? C54 H54A 0.9300 . ? C55 C56 1.357(7) . ? C55 H55A 0.9300 . ? C56 C57 1.365(8) . ? C56 H56A 0.9300 . ? C57 H57A 0.9300 . ? C59 Cl4 1.732(7) . ? C59 Cl5 1.757(5) . ? C59 Cl6 1.761(6) . ? C59 H59A 0.9800 . ? C60 Cl7 1.722(5) . ? C60 Cl8 1.727(5) . ? C60 Cl9 1.745(5) . ? C60 H60A 0.9800 . ? C61 Cl12 1.712(7) . ? C61 Cl10 1.721(5) . ? C61 Cl11 1.742(6) . ? C61 H61A 0.9800 . ? C58 Cl3 1.653(6) . ? C58 Cl2 1.673(6) . ? C58 Cl1 1.698(8) . ? C58 H58 0.9800 . ? 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 O7 Eu1 O7 71.63(8) 2 . ? O7 Eu1 O1 144.31(8) 2 . ? O7 Eu1 O1 84.57(9) . . ? O7 Eu1 O3 136.91(8) 2 . ? O7 Eu1 O3 148.79(7) . . ? O1 Eu1 O3 74.44(9) . . ? O7 Eu1 O5 120.55(8) 2 . ? O7 Eu1 O5 77.34(7) . . ? O1 Eu1 O5 77.54(8) . . ? O3 Eu1 O5 75.77(9) . . ? O7 Eu1 N5 77.87(8) 2 . ? O7 Eu1 N5 144.70(6) . . ? O1 Eu1 N5 112.17(10) . . ? O3 Eu1 N5 66.16(8) . . ? O5 Eu1 N5 135.17(8) . . ? O7 Eu1 N8 75.05(7) 2 . ? O7 Eu1 N8 106.45(9) . . ? O1 Eu1 N8 138.74(7) . . ? O3 Eu1 N8 77.00(9) . . ? O5 Eu1 N8 66.93(8) . . ? N5 Eu1 N8 81.78(9) . . ? O7 Eu1 N2 82.94(7) 2 . ? O7 Eu1 N2 80.03(9) . . ? O1 Eu1 N2 66.66(8) . . ? O3 Eu1 N2 111.15(9) . . ? O5 Eu1 N2 139.04(8) . . ? N5 Eu1 N2 78.98(9) . . ? N8 Eu1 N2 153.32(8) . . ? O7 Na1 O5 77.22(8) . . ? O7 Na1 N6 84.15(9) . 2 ? O5 Na1 N6 158.61(9) . 2 ? O7 Na1 N3 88.33(9) . 2 ? O5 Na1 N3 85.61(10) . 2 ? N6 Na1 N3 83.43(10) 2 2 ? O7 Na1 N11 155.23(9) . . ? O5 Na1 N11 92.49(10) . . ? N6 Na1 N11 108.73(12) 2 . ? N3 Na1 N11 113.59(10) 2 . ? O7 Na1 N10 94.07(10) . . ? O5 Na1 N10 99.61(11) . . ? N6 Na1 N10 92.02(11) 2 . ? N3 Na1 N10 174.62(13) 2 . ? N11 Na1 N10 65.15(10) . . ? O7 Na1 Eu1 32.39(5) . 2 ? O5 Na1 Eu1 96.06(6) . 2 ? N6 Na1 Eu1 62.60(7) 2 2 ? N3 Na1 Eu1 63.54(7) 2 2 ? N11 Na1 Eu1 170.67(9) . 2 ? N10 Na1 Eu1 116.80(8) . 2 ? C7 O1 Eu1 147.14(19) . . ? C8 O2 C9 103.7(2) . . ? C22 O3 Eu1 145.00(17) . . ? C23 O4 C24 104.4(3) . . ? C37 O5 Eu1 129.7(2) . . ? C37 O5 Na1 125.6(2) . . ? Eu1 O5 Na1 100.59(8) . . ? C38 O6 C39 103.7(2) . . ? Eu1 O7 Na1 115.13(9) 2 . ? Eu1 O7 Eu1 108.37(8) 2 . ? Na1 O7 Eu1 104.38(8) . . ? C51 O8 C52 102.1(2) . . ? C7 N1 C8 118.6(3) . . ? C8 N2 N3 106.4(2) . . ? C8 N2 Eu1 125.60(18) . . ? N3 N2 Eu1 127.38(17) . . ? C9 N3 N2 106.9(2) . . ? C9 N3 Na1 140.89(19) . 2 ? N2 N3 Na1 111.80(17) . 2 ? C22 N4 C23 118.3(3) . . ? C23 N5 N6 106.3(3) . . ? C23 N5 Eu1 128.04(18) . . ? N6 N5 Eu1 125.7(2) . . ? C24 N6 N5 106.8(2) . . ? C24 N6 Na1 137.75(18) . 2 ? N5 N6 Na1 114.1(2) . 2 ? C37 N7 C38 118.5(3) . . ? C38 N8 N9 106.7(2) . . ? C38 N8 Eu1 124.44(19) . . ? N9 N8 Eu1 128.76(17) . . ? C39 N9 N8 106.0(2) . . ? C46 N10 C50 115.8(3) . . ? C46 N10 Na1 125.1(2) . . ? C50 N10 Na1 117.4(2) . . ? C51 N11 N12 106.5(2) . . ? C51 N11 Na1 113.1(2) . . ? N12 N11 Na1 137.6(2) . . ? C52 N12 N11 106.5(3) . . ? C53 N13 C57 115.7(4) . . ? C6 C1 C2 120.9(4) . . ? C6 C1 H1A 119.5 . . ? C2 C1 H1A 119.5 . . ? C3 C2 C1 120.1(4) . . ? C3 C2 H2A 120.0 . . ? C1 C2 H2A 119.9 . . ? C2 C3 C4 119.7(4) . . ? C2 C3 H3A 120.1 . . ? C4 C3 H3A 120.1 . . ? C3 C4 C5 120.8(5) . . ? C3 C4 H4A 119.6 . . ? C5 C4 H4A 119.6 . . ? C6 C5 C4 119.4(4) . . ? C6 C5 H5A 120.3 . . ? C4 C5 H5A 120.3 . . ? C5 C6 C1 119.0(3) . . ? C5 C6 C7 117.9(3) . . ? C1 C6 C7 123.1(3) . . ? O1 C7 N1 125.1(3) . . ? O1 C7 C6 118.9(3) . . ? N1 C7 C6 116.0(3) . . ? N2 C8 N1 135.3(3) . . ? N2 C8 O2 110.7(2) . . ? N1 C8 O2 113.9(3) . . ? N3 C9 O2 112.4(2) . . ? N3 C9 C10 131.6(3) . . ? O2 C9 C10 116.0(3) . . ? C15 C10 C11 118.5(3) . . ? C15 C10 C9 121.1(4) . . ? C11 C10 C9 120.3(3) . . ? C12 C11 C10 120.1(4) . . ? C12 C11 H11A 119.9 . . ? C10 C11 H11A 119.9 . . ? C13 C12 C11 120.3(5) . . ? C13 C12 H12A 119.9 . . ? C11 C12 H12A 119.9 . . ? C12 C13 C14 120.0(4) . . ? C12 C13 H13A 120.0 . . ? C14 C13 H13A 120.0 . . ? C13 C14 C15 120.5(5) . . ? C13 C14 H14A 119.7 . . ? C15 C14 H14A 119.7 . . ? C14 C15 C10 120.5(5) . . ? C14 C15 H15A 119.8 . . ? C10 C15 H15A 119.8 . . ? C17 C16 C21 120.6(4) . . ? C17 C16 H16A 119.7 . . ? C21 C16 H16A 119.7 . . ? C18 C17 C16 120.9(4) . . ? C18 C17 H17A 119.6 . . ? C16 C17 H17A 119.5 . . ? C17 C18 C19 119.4(3) . . ? C17 C18 H18A 120.3 . . ? C19 C18 H18A 120.3 . . ? C20 C19 C18 120.0(4) . . ? C20 C19 H19A 120.0 . . ? C18 C19 H19A 120.0 . . ? C19 C20 C21 120.3(4) . . ? C19 C20 H20A 119.8 . . ? C21 C20 H20A 119.8 . . ? C16 C21 C20 118.8(3) . . ? C16 C21 C22 119.4(3) . . ? C20 C21 C22 121.7(3) . . ? O3 C22 N4 125.7(2) . . ? O3 C22 C21 118.1(3) . . ? N4 C22 C21 116.2(3) . . ? N5 C23 N4 134.0(3) . . ? N5 C23 O4 110.9(2) . . ? N4 C23 O4 115.1(3) . . ? N6 C24 O4 111.6(3) . . ? N6 C24 C25 130.1(3) . . ? O4 C24 C25 118.2(3) . . ? C26 C25 C30 119.6(4) . . ? C26 C25 C24 121.9(3) . . ? C30 C25 C24 118.4(4) . . ? C25 C26 C27 119.8(4) . . ? C25 C26 H26A 120.1 . . ? C27 C26 H26A 120.1 . . ? C28 C27 C26 120.7(6) . . ? C28 C27 H27A 119.6 . . ? C26 C27 H27A 119.6 . . ? C27 C28 C29 120.4(5) . . ? C27 C28 H28A 119.8 . . ? C29 C28 H28A 119.8 . . ? C28 C29 C30 120.9(5) . . ? C28 C29 H29A 119.6 . . ? C30 C29 H29A 119.6 . . ? C25 C30 C29 118.5(6) . . ? C25 C30 H30A 120.7 . . ? C29 C30 H30A 120.7 . . ? C36 C31 C32 120.2(3) . . ? C36 C31 H31A 119.9 . . ? C32 C31 H31A 119.9 . . ? C33 C32 C31 119.9(4) . . ? C33 C32 H32A 120.1 . . ? C31 C32 H32A 120.1 . . ? C34 C33 C32 120.2(3) . . ? C34 C33 H33A 119.9 . . ? C32 C33 H33A 119.9 . . ? C33 C34 C35 120.8(4) . . ? C33 C34 H34A 119.6 . . ? C35 C34 H34A 119.6 . . ? C34 C35 C36 120.0(4) . . ? C34 C35 H35A 120.0 . . ? C36 C35 H35A 120.0 . . ? C31 C36 C35 119.0(3) . . ? C31 C36 C37 120.0(3) . . ? C35 C36 C37 121.0(3) . . ? O5 C37 N7 126.3(2) . . ? O5 C37 C36 118.5(3) . . ? N7 C37 C36 115.2(3) . . ? N8 C38 N7 133.6(3) . . ? N8 C38 O6 111.3(3) . . ? N7 C38 O6 115.1(3) . . ? N9 C39 O6 112.4(3) . . ? N9 C39 C40 129.7(3) . . ? O6 C39 C40 117.9(3) . . ? C41 C40 C45 117.9(4) . . ? C41 C40 C39 121.0(3) . . ? C45 C40 C39 121.1(3) . . ? C40 C41 C42 120.9(5) . . ? C40 C41 H41A 119.6 . . ? C42 C41 H41A 119.5 . . ? C43 C42 C41 122.1(5) . . ? C43 C42 H42A 119.0 . . ? C41 C42 H42A 119.0 . . ? C42 C43 C44 118.1(5) . . ? C42 C43 H43A 121.0 . . ? C44 C43 H43A 121.0 . . ? C45 C44 C43 120.7(5) . . ? C45 C44 H44A 119.6 . . ? C43 C44 H44A 119.6 . . ? C44 C45 C40 120.3(4) . . ? C44 C45 H45A 119.8 . . ? C40 C45 H45A 119.8 . . ? N10 C46 C47 124.7(3) . . ? N10 C46 H46A 117.7 . . ? C47 C46 H46A 117.7 . . ? C46 C47 C48 119.4(4) . . ? C46 C47 H47A 120.3 . . ? C48 C47 H47A 120.3 . . ? C47 C48 C49 117.4(4) . . ? C47 C48 H48A 121.3 . . ? C49 C48 H48A 121.3 . . ? C50 C49 C48 119.3(4) . . ? C50 C49 H49A 120.3 . . ? C48 C49 H49A 120.3 . . ? N10 C50 C49 123.3(3) . . ? N10 C50 C51 114.2(3) . . ? C49 C50 C51 122.4(3) . . ? N11 C51 O8 112.6(3) . . ? N11 C51 C50 128.6(3) . . ? O8 C51 C50 118.6(3) . . ? N12 C52 O8 112.3(3) . . ? N12 C52 C53 128.4(3) . . ? O8 C52 C53 119.1(3) . . ? N13 C53 C54 124.1(3) . . ? N13 C53 C52 116.6(3) . . ? C54 C53 C52 119.2(3) . . ? C53 C54 C55 118.9(4) . . ? C53 C54 H54A 120.6 . . ? C55 C54 H54A 120.6 . . ? C56 C55 C54 118.4(4) . . ? C56 C55 H55A 120.8 . . ? C54 C55 H55A 120.8 . . ? C55 C56 C57 118.8(4) . . ? C55 C56 H56A 120.6 . . ? C57 C56 H56A 120.6 . . ? N13 C57 C56 124.0(5) . . ? N13 C57 H57A 118.0 . . ? C56 C57 H57A 118.0 . . ? Cl4 C59 Cl5 111.8(3) . . ? Cl4 C59 Cl6 109.7(3) . . ? Cl5 C59 Cl6 110.4(4) . . ? Cl4 C59 H59A 108.3 . . ? Cl5 C59 H59A 108.3 . . ? Cl6 C59 H59A 108.3 . . ? Cl7 C60 Cl8 109.7(3) . . ? Cl7 C60 Cl9 112.9(3) . . ? Cl8 C60 Cl9 113.0(3) . . ? Cl7 C60 H60A 106.9 . . ? Cl8 C60 H60A 106.9 . . ? Cl9 C60 H60A 106.9 . . ? Cl12 C61 Cl10 110.1(3) . . ? Cl12 C61 Cl11 108.0(3) . . ? Cl10 C61 Cl11 111.1(3) . . ? Cl12 C61 H61A 109.2 . . ? Cl10 C61 H61A 109.2 . . ? Cl11 C61 H61A 109.2 . . ? Cl3 C58 Cl2 117.2(4) . . ? Cl3 C58 Cl1 108.6(4) . . ? Cl2 C58 Cl1 111.8(4) . . ? Cl3 C58 H58 106.2 . . ? Cl2 C58 H58 106.2 . . ? Cl1 C58 H58 106.2 . . ? 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 O7 Eu1 O1 C7 -34.3(6) 2 . . . ? O7 Eu1 O1 C7 -81.8(5) . . . . ? O3 Eu1 O1 C7 121.5(6) . . . . ? O5 Eu1 O1 C7 -160.0(6) . . . . ? N5 Eu1 O1 C7 66.0(6) . . . . ? N8 Eu1 O1 C7 169.3(5) . . . . ? N2 Eu1 O1 C7 -0.4(5) . . . . ? O7 Eu1 O3 C22 15.8(4) 2 . . . ? O7 Eu1 O3 C22 166.7(3) . . . . ? O1 Eu1 O3 C22 -143.7(4) . . . . ? O5 Eu1 O3 C22 135.5(3) . . . . ? N5 Eu1 O3 C22 -20.3(3) . . . . ? N8 Eu1 O3 C22 66.4(3) . . . . ? N2 Eu1 O3 C22 -87.0(3) . . . . ? O7 Eu1 O5 C37 103.5(2) 2 . . . ? O7 Eu1 O5 C37 163.0(2) . . . . ? O1 Eu1 O5 C37 -109.9(2) . . . . ? O3 Eu1 O5 C37 -33.0(2) . . . . ? N5 Eu1 O5 C37 -0.9(3) . . . . ? N8 Eu1 O5 C37 48.7(2) . . . . ? N2 Eu1 O5 C37 -139.0(2) . . . . ? O7 Eu1 O5 Na1 -54.33(10) 2 . . . ? O7 Eu1 O5 Na1 5.17(7) . . . . ? O1 Eu1 O5 Na1 92.32(10) . . . . ? O3 Eu1 O5 Na1 169.18(9) . . . . ? N5 Eu1 O5 Na1 -158.66(8) . . . . ? N8 Eu1 O5 Na1 -109.11(10) . . . . ? N2 Eu1 O5 Na1 63.19(14) . . . . ? O7 Na1 O5 C37 -164.2(2) . . . . ? N6 Na1 O5 C37 -134.2(3) 2 . . . ? N3 Na1 O5 C37 -74.9(2) 2 . . . ? N11 Na1 O5 C37 38.5(2) . . . . ? N10 Na1 O5 C37 103.7(2) . . . . ? Eu1 Na1 O5 C37 -137.7(2) 2 . . . ? O7 Na1 O5 Eu1 -5.18(7) . . . . ? N6 Na1 O5 Eu1 24.8(3) 2 . . . ? N3 Na1 O5 Eu1 84.11(9) 2 . . . ? N11 Na1 O5 Eu1 -162.42(8) . . . . ? N10 Na1 O5 Eu1 -97.21(10) . . . . ? Eu1 Na1 O5 Eu1 21.33(6) 2 . . . ? O5 Na1 O7 Eu1 124.04(10) . . . 2 ? N6 Na1 O7 Eu1 -45.40(11) 2 . . 2 ? N3 Na1 O7 Eu1 38.16(12) 2 . . 2 ? N11 Na1 O7 Eu1 -168.6(2) . . . 2 ? N10 Na1 O7 Eu1 -137.02(11) . . . 2 ? O5 Na1 O7 Eu1 5.38(7) . . . . ? N6 Na1 O7 Eu1 -164.06(8) 2 . . . ? N3 Na1 O7 Eu1 -80.50(10) 2 . . . ? N11 Na1 O7 Eu1 72.7(3) . . . . ? N10 Na1 O7 Eu1 104.32(10) . . . . ? Eu1 Na1 O7 Eu1 -118.66(12) 2 . . . ? O7 Eu1 O7 Eu1 0.0 2 . . 2 ? O1 Eu1 O7 Eu1 153.02(8) . . . 2 ? O3 Eu1 O7 Eu1 -159.57(10) . . . 2 ? O5 Eu1 O7 Eu1 -128.57(9) . . . 2 ? N5 Eu1 O7 Eu1 31.56(15) . . . 2 ? N8 Eu1 O7 Eu1 -67.58(9) . . . 2 ? N2 Eu1 O7 Eu1 85.81(8) . . . 2 ? O7 Eu1 O7 Na1 123.17(11) 2 . . . ? O1 Eu1 O7 Na1 -83.81(9) . . . . ? O3 Eu1 O7 Na1 -36.40(16) . . . . ? O5 Eu1 O7 Na1 -5.40(7) . . . . ? N5 Eu1 O7 Na1 154.73(10) . . . . ? N8 Eu1 O7 Na1 55.59(9) . . . . ? N2 Eu1 O7 Na1 -151.03(8) . . . . ? O7 Eu1 N2 C8 151.3(3) 2 . . . ? O7 Eu1 N2 C8 78.8(3) . . . . ? O1 Eu1 N2 C8 -9.6(3) . . . . ? O3 Eu1 N2 C8 -70.9(3) . . . . ? O5 Eu1 N2 C8 21.6(4) . . . . ? N5 Eu1 N2 C8 -129.8(3) . . . . ? N8 Eu1 N2 C8 -174.4(3) . . . . ? O7 Eu1 N2 N3 -18.3(3) 2 . . . ? O7 Eu1 N2 N3 -90.8(3) . . . . ? O1 Eu1 N2 N3 -179.1(3) . . . . ? O3 Eu1 N2 N3 119.6(3) . . . . ? O5 Eu1 N2 N3 -147.9(3) . . . . ? N5 Eu1 N2 N3 60.7(3) . . . . ? N8 Eu1 N2 N3 16.1(4) . . . . ? C8 N2 N3 C9 -1.4(4) . . . . ? Eu1 N2 N3 C9 169.7(3) . . . . ? C8 N2 N3 Na1 -175.4(2) . . . 2 ? Eu1 N2 N3 Na1 -4.2(4) . . . 2 ? O7 Eu1 N5 C23 -144.6(2) 2 . . . ? O7 Eu1 N5 C23 -175.2(2) . . . . ? O1 Eu1 N5 C23 71.3(3) . . . . ? O3 Eu1 N5 C23 11.1(2) . . . . ? O5 Eu1 N5 C23 -23.2(3) . . . . ? N8 Eu1 N5 C23 -68.3(2) . . . . ? N2 Eu1 N5 C23 130.3(2) . . . . ? O7 Eu1 N5 N6 33.9(2) 2 . . . ? O7 Eu1 N5 N6 3.3(3) . . . . ? O1 Eu1 N5 N6 -110.2(2) . . . . ? O3 Eu1 N5 N6 -170.4(2) . . . . ? O5 Eu1 N5 N6 155.28(18) . . . . ? N8 Eu1 N5 N6 110.3(2) . . . . ? N2 Eu1 N5 N6 -51.2(2) . . . . ? C23 N5 N6 C24 -0.2(3) . . . . ? Eu1 N5 N6 C24 -178.9(2) . . . . ? C23 N5 N6 Na1 169.09(18) . . . 2 ? Eu1 N5 N6 Na1 -9.7(3) . . . 2 ? O7 Eu1 N8 C38 -158.4(3) 2 . . . ? O7 Eu1 N8 C38 -93.1(3) . . . . ? O1 Eu1 N8 C38 7.7(4) . . . . ? O3 Eu1 N8 C38 54.8(3) . . . . ? O5 Eu1 N8 C38 -25.1(3) . . . . ? N5 Eu1 N8 C38 122.1(3) . . . . ? N2 Eu1 N8 C38 166.2(3) . . . . ? O7 Eu1 N8 N9 26.1(3) 2 . . . ? O7 Eu1 N8 N9 91.3(3) . . . . ? O1 Eu1 N8 N9 -167.9(3) . . . . ? O3 Eu1 N8 N9 -120.8(3) . . . . ? O5 Eu1 N8 N9 159.3(3) . . . . ? N5 Eu1 N8 N9 -53.5(3) . . . . ? N2 Eu1 N8 N9 -9.4(4) . . . . ? C38 N8 N9 C39 -0.8(4) . . . . ? Eu1 N8 N9 C39 175.4(3) . . . . ? O7 Na1 N10 C46 9.0(4) . . . . ? O5 Na1 N10 C46 86.7(4) . . . . ? N6 Na1 N10 C46 -75.3(4) 2 . . . ? N3 Na1 N10 C46 -107.4(10) 2 . . . ? N11 Na1 N10 C46 175.0(4) . . . . ? Eu1 Na1 N10 C46 -15.2(4) 2 . . . ? O7 Na1 N10 C50 -155.8(3) . . . . ? O5 Na1 N10 C50 -78.1(3) . . . . ? N6 Na1 N10 C50 119.9(3) 2 . . . ? N3 Na1 N10 C50 87.8(10) 2 . . . ? N11 Na1 N10 C50 10.2(3) . . . . ? Eu1 Na1 N10 C50 -180.0(3) 2 . . . ? O7 Na1 N11 C51 25.9(5) . . . . ? O5 Na1 N11 C51 90.1(3) . . . . ? N6 Na1 N11 C51 -92.7(3) 2 . . . ? N3 Na1 N11 C51 176.4(3) 2 . . . ? N10 Na1 N11 C51 -9.3(3) . . . . ? Eu1 Na1 N11 C51 -113.5(5) 2 . . . ? O7 Na1 N11 N12 -132.1(4) . . . . ? O5 Na1 N11 N12 -67.9(4) . . . . ? N6 Na1 N11 N12 109.3(4) 2 . . . ? N3 Na1 N11 N12 18.4(4) 2 . . . ? N10 Na1 N11 N12 -167.3(4) . . . . ? Eu1 Na1 N11 N12 88.5(7) 2 . . . ? C51 N11 N12 C52 0.2(5) . . . . ? Na1 N11 N12 C52 159.1(3) . . . . ? C6 C1 C2 C3 -1.2(9) . . . . ? C1 C2 C3 C4 1.7(10) . . . . ? C2 C3 C4 C5 -0.7(10) . . . . ? C3 C4 C5 C6 -0.8(10) . . . . ? C4 C5 C6 C1 1.3(8) . . . . ? C4 C5 C6 C7 179.6(5) . . . . ? C2 C1 C6 C5 -0.4(8) . . . . ? C2 C1 C6 C7 -178.6(5) . . . . ? Eu1 O1 C7 N1 8.6(9) . . . . ? Eu1 O1 C7 C6 -170.1(4) . . . . ? C8 N1 C7 O1 -7.2(7) . . . . ? C8 N1 C7 C6 171.6(4) . . . . ? C5 C6 C7 O1 18.3(6) . . . . ? C1 C6 C7 O1 -163.5(5) . . . . ? C5 C6 C7 N1 -160.5(4) . . . . ? C1 C6 C7 N1 17.7(7) . . . . ? N3 N2 C8 N1 -173.3(5) . . . . ? Eu1 N2 C8 N1 15.4(7) . . . . ? N3 N2 C8 O2 1.5(4) . . . . ? Eu1 N2 C8 O2 -169.8(2) . . . . ? C7 N1 C8 N2 -5.5(7) . . . . ? C7 N1 C8 O2 179.9(4) . . . . ? C9 O2 C8 N2 -1.0(4) . . . . ? C9 O2 C8 N1 175.0(4) . . . . ? N2 N3 C9 O2 0.8(5) . . . . ? Na1 N3 C9 O2 171.9(3) 2 . . . ? N2 N3 C9 C10 178.4(4) . . . . ? Na1 N3 C9 C10 -10.5(8) 2 . . . ? C8 O2 C9 N3 0.1(5) . . . . ? C8 O2 C9 C10 -177.9(4) . . . . ? N3 C9 C10 C15 -11.9(8) . . . . ? O2 C9 C10 C15 165.6(5) . . . . ? N3 C9 C10 C11 169.9(5) . . . . ? O2 C9 C10 C11 -12.6(6) . . . . ? C15 C10 C11 C12 1.2(8) . . . . ? C9 C10 C11 C12 179.5(5) . . . . ? C10 C11 C12 C13 -0.1(9) . . . . ? C11 C12 C13 C14 -1.2(11) . . . . ? C12 C13 C14 C15 1.4(12) . . . . ? C13 C14 C15 C10 -0.1(11) . . . . ? C11 C10 C15 C14 -1.1(9) . . . . ? C9 C10 C15 C14 -179.4(6) . . . . ? C21 C16 C17 C18 -0.8(7) . . . . ? C16 C17 C18 C19 -0.2(7) . . . . ? C17 C18 C19 C20 1.0(7) . . . . ? C18 C19 C20 C21 -1.0(6) . . . . ? C17 C16 C21 C20 0.9(5) . . . . ? C17 C16 C21 C22 179.7(3) . . . . ? C19 C20 C21 C16 0.0(5) . . . . ? C19 C20 C21 C22 -178.8(3) . . . . ? Eu1 O3 C22 N4 16.9(5) . . . . ? Eu1 O3 C22 C21 -166.5(2) . . . . ? C23 N4 C22 O3 3.9(5) . . . . ? C23 N4 C22 C21 -172.7(3) . . . . ? C16 C21 C22 O3 -6.9(4) . . . . ? C20 C21 C22 O3 171.9(3) . . . . ? C16 C21 C22 N4 169.9(3) . . . . ? C20 C21 C22 N4 -11.2(4) . . . . ? N6 N5 C23 N4 177.8(3) . . . . ? Eu1 N5 C23 N4 -3.5(5) . . . . ? N6 N5 C23 O4 -0.8(3) . . . . ? Eu1 N5 C23 O4 177.88(17) . . . . ? C22 N4 C23 N5 -8.3(5) . . . . ? C22 N4 C23 O4 170.3(3) . . . . ? C24 O4 C23 N5 1.5(3) . . . . ? C24 O4 C23 N4 -177.5(3) . . . . ? N5 N6 C24 O4 1.1(3) . . . . ? Na1 N6 C24 O4 -164.2(2) 2 . . . ? N5 N6 C24 C25 -175.8(3) . . . . ? Na1 N6 C24 C25 18.9(6) 2 . . . ? C23 O4 C24 N6 -1.6(3) . . . . ? C23 O4 C24 C25 175.7(3) . . . . ? N6 C24 C25 C26 -161.0(4) . . . . ? O4 C24 C25 C26 22.3(5) . . . . ? N6 C24 C25 C30 22.4(6) . . . . ? O4 C24 C25 C30 -154.3(3) . . . . ? C30 C25 C26 C27 -1.7(6) . . . . ? C24 C25 C26 C27 -178.2(4) . . . . ? C25 C26 C27 C28 0.1(7) . . . . ? C26 C27 C28 C29 1.4(9) . . . . ? C27 C28 C29 C30 -1.1(9) . . . . ? C26 C25 C30 C29 1.9(6) . . . . ? C24 C25 C30 C29 178.5(4) . . . . ? C28 C29 C30 C25 -0.5(8) . . . . ? C36 C31 C32 C33 1.2(7) . . . . ? C31 C32 C33 C34 -1.8(8) . . . . ? C32 C33 C34 C35 1.0(8) . . . . ? C33 C34 C35 C36 0.4(8) . . . . ? C32 C31 C36 C35 0.3(6) . . . . ? C32 C31 C36 C37 -177.8(4) . . . . ? C34 C35 C36 C31 -1.1(7) . . . . ? C34 C35 C36 C37 177.0(4) . . . . ? Eu1 O5 C37 N7 -49.8(5) . . . . ? Na1 O5 C37 N7 103.0(4) . . . . ? Eu1 O5 C37 C36 128.6(3) . . . . ? Na1 O5 C37 C36 -78.6(3) . . . . ? C38 N7 C37 O5 2.7(6) . . . . ? C38 N7 C37 C36 -175.8(3) . . . . ? C31 C36 C37 O5 -12.1(5) . . . . ? C35 C36 C37 O5 169.9(4) . . . . ? C31 C36 C37 N7 166.5(4) . . . . ? C35 C36 C37 N7 -11.5(5) . . . . ? N9 N8 C38 N7 178.6(4) . . . . ? Eu1 N8 C38 N7 2.2(7) . . . . ? N9 N8 C38 O6 1.0(4) . . . . ? Eu1 N8 C38 O6 -175.4(2) . . . . ? C37 N7 C38 N8 20.2(7) . . . . ? C37 N7 C38 O6 -162.2(3) . . . . ? C39 O6 C38 N8 -0.8(4) . . . . ? C39 O6 C38 N7 -178.9(4) . . . . ? N8 N9 C39 O6 0.3(5) . . . . ? N8 N9 C39 C40 -179.7(4) . . . . ? C38 O6 C39 N9 0.2(5) . . . . ? C38 O6 C39 C40 -179.8(4) . . . . ? N9 C39 C40 C41 6.1(8) . . . . ? O6 C39 C40 C41 -173.9(5) . . . . ? N9 C39 C40 C45 -175.4(5) . . . . ? O6 C39 C40 C45 4.6(7) . . . . ? C45 C40 C41 C42 1.3(10) . . . . ? C39 C40 C41 C42 179.9(6) . . . . ? C40 C41 C42 C43 -0.9(12) . . . . ? C41 C42 C43 C44 -0.5(12) . . . . ? C42 C43 C44 C45 1.5(11) . . . . ? C43 C44 C45 C40 -1.1(11) . . . . ? C41 C40 C45 C44 -0.3(9) . . . . ? C39 C40 C45 C44 -178.8(6) . . . . ? C50 N10 C46 C47 -0.5(8) . . . . ? Na1 N10 C46 C47 -165.5(5) . . . . ? N10 C46 C47 C48 2.3(10) . . . . ? C46 C47 C48 C49 -3.2(10) . . . . ? C47 C48 C49 C50 2.5(10) . . . . ? C46 N10 C50 C49 -0.3(7) . . . . ? Na1 N10 C50 C49 165.9(4) . . . . ? C46 N10 C50 C51 -175.9(4) . . . . ? Na1 N10 C50 C51 -9.7(5) . . . . ? C48 C49 C50 N10 -0.7(9) . . . . ? C48 C49 C50 C51 174.5(5) . . . . ? N12 N11 C51 O8 -0.9(5) . . . . ? Na1 N11 C51 O8 -165.6(3) . . . . ? N12 N11 C51 C50 174.3(4) . . . . ? Na1 N11 C51 C50 9.6(6) . . . . ? C52 O8 C51 N11 1.2(5) . . . . ? C52 O8 C51 C50 -174.5(4) . . . . ? N10 C50 C51 N11 -0.1(7) . . . . ? C49 C50 C51 N11 -175.7(5) . . . . ? N10 C50 C51 O8 174.9(4) . . . . ? C49 C50 C51 O8 -0.7(7) . . . . ? N11 N12 C52 O8 0.7(5) . . . . ? N11 N12 C52 C53 -174.8(4) . . . . ? C51 O8 C52 N12 -1.1(5) . . . . ? C51 O8 C52 C53 174.7(4) . . . . ? C57 N13 C53 C54 -1.4(8) . . . . ? C57 N13 C53 C52 -179.1(5) . . . . ? N12 C52 C53 N13 -162.9(5) . . . . ? O8 C52 C53 N13 22.0(6) . . . . ? N12 C52 C53 C54 19.3(7) . . . . ? O8 C52 C53 C54 -155.8(4) . . . . ? N13 C53 C54 C55 0.7(8) . . . . ? C52 C53 C54 C55 178.3(4) . . . . ? C53 C54 C55 C56 -0.1(8) . . . . ? C54 C55 C56 C57 0.3(9) . . . . ? C53 N13 C57 C56 1.6(9) . . . . ? C55 C56 C57 N13 -1.2(10) . . . . ? _diffrn_measured_fraction_theta_max 0.862 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.983 _refine_diff_density_max 1.531 _refine_diff_density_min -1.408 _refine_diff_density_rms 0.125