Supplementary Material (ESI) for Dalton Transactions his journal is (c) The Royal Society of Chemistry 2002 data_y1072 _database_code_CSD 166868 _journal_coden_Cambridge 186 _publ_requested_journal 'Dalton Transactions' loop_ _publ_author_name 'Tan, Minyu' 'Liu, Wei-Sheng' 'Tang, Yu' 'Tang, Ning' 'Yu, Kai-Bei' 'Zhang, Jian' _publ_contact_author_name 'Prof Minyu Tan' _publ_contact_author_address ; Chemistry Lanzhou University Department of Chemistry, Lanzhou Un Lanzhou Gansu 730000 CHINA ; _publ_contact_author_email 'TANGYU@LZU.EDU.CN' _publ_section_title ; Novel three-dimensional network generated from the reaction of Eu(NO3)3 with an amide type tripodal ligand ; _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C52 H55 Eu N6 O17' _chemical_formula_weight 1187.98 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 13.314(3) _cell_length_b 16.009(2) _cell_length_c 25.310(5) _cell_angle_alpha 90.00 _cell_angle_beta 90.41(2) _cell_angle_gamma 90.00 _cell_volume 5394.5(18) _cell_formula_units_Z 4 _cell_measurement_temperature 295(2) _cell_measurement_reflns_used 24 _cell_measurement_theta_min 2.55 _cell_measurement_theta_max 14.72 _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.46 _exptl_crystal_size_mid 0.42 _exptl_crystal_size_min 0.40 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.463 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2432 _exptl_absorpt_coefficient_mu 1.238 _exptl_absorpt_correction_type empirical _exptl_absorpt_correction_T_min 0.8807 _exptl_absorpt_correction_T_max 0.9480 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 295(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'normal-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Siemens P4' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count 97 _diffrn_standards_interval_time ? _diffrn_standards_decay_% 4.04 _diffrn_reflns_number 10656 _diffrn_reflns_av_R_equivalents 0.0193 _diffrn_reflns_av_sigmaI/netI 0.0596 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_theta_min 1.51 _diffrn_reflns_theta_max 25.00 _reflns_number_total 9480 _reflns_number_gt 6402 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Siemens XSCANS' _computing_cell_refinement 'Siemens XSCANS' _computing_data_reduction 'Siemens SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Siemens SHELXTL' _computing_publication_material 'Siemens SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0552P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 9480 _refine_ls_number_parameters 758 _refine_ls_number_restraints 29 _refine_ls_R_factor_all 0.0709 _refine_ls_R_factor_gt 0.0424 _refine_ls_wR_factor_ref 0.1059 _refine_ls_wR_factor_gt 0.0976 _refine_ls_goodness_of_fit_ref 0.955 _refine_ls_restrained_S_all 0.959 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Eu Eu 0.363145(17) 0.096970(17) 0.828893(9) 0.04148(9) Uani 1 1 d . . . O1 O 0.0614(2) 0.1329(2) 0.66138(12) 0.0430(8) Uani 1 1 d . . . O2 O 0.3086(2) 0.0797(2) 0.74265(13) 0.0512(9) Uani 1 1 d . . . O3 O -0.1911(2) 0.0512(2) 0.74778(12) 0.0495(9) Uani 1 1 d . . . O4 O -0.4754(2) 0.0733(2) 0.79721(13) 0.0566(10) Uani 1 1 d . . . O5 O -0.1216(3) 0.0241(2) 0.58663(12) 0.0525(9) Uani 1 1 d . . . O6 O -0.1556(4) 0.0391(3) 0.42335(15) 0.116(2) Uani 1 1 d . . . O7 O 0.3649(3) -0.0577(3) 0.81552(15) 0.0717(12) Uani 1 1 d . . . O8 O 0.4284(3) -0.0144(2) 0.88882(14) 0.0598(10) Uani 1 1 d . . . O9 O 0.4437(4) -0.1439(3) 0.86612(18) 0.0886(14) Uani 1 1 d . . . O10 O 0.4039(4) 0.2413(3) 0.79316(17) 0.0809(13) Uani 1 1 d . . . O11 O 0.2558(4) 0.2217(3) 0.82446(19) 0.0908(15) Uani 1 1 d . . . O12 O 0.2942(5) 0.3424(3) 0.7935(2) 0.118(2) Uani 1 1 d . . . O13 O 0.2549(3) 0.1048(3) 0.90771(15) 0.0669(11) Uani 1 1 d . . . O14 O 0.1830(3) 0.0615(3) 0.83779(19) 0.0887(15) Uani 1 1 d . . . O15 O 0.0934(3) 0.0981(3) 0.9043(2) 0.1063(17) Uani 1 1 d . . . O16 O 0.4560(3) 0.1675(3) 0.89646(14) 0.0639(11) Uani 1 1 d D . . O17 O 0.5460(6) 0.2125(6) 0.9652(2) 0.201(4) Uani 1 1 d D . . N1 N 0.2161(3) 0.0161(3) 0.68130(15) 0.0507(11) Uani 1 1 d . . . H1 H 0.1796 0.0219 0.6534 0.061 Uiso 1 1 calc R . . N2 N -0.3883(3) -0.0051(4) 0.74116(18) 0.0836(18) Uani 1 1 d . . . H2 H -0.3302 -0.0250 0.7335 0.100 Uiso 1 1 calc R . . N3 N -0.1221(6) 0.1082(3) 0.49629(18) 0.110(2) Uani 1 1 d D . . H3 H -0.1254 0.1099 0.5302 0.132 Uiso 1 1 calc R A 1 N4 N 0.4125(3) -0.0743(3) 0.8577(2) 0.0589(13) Uani 1 1 d . . . N5 N 0.3170(5) 0.2694(4) 0.8039(2) 0.0738(15) Uani 1 1 d . . . N6 N 0.1744(4) 0.0875(3) 0.8835(2) 0.0659(13) Uani 1 1 d . . . C1 C -0.1169(3) 0.1028(3) 0.66767(17) 0.0420(11) Uani 1 1 d . . . C2 C -0.0380(3) 0.1619(3) 0.64746(19) 0.0460(12) Uani 1 1 d . . . H2A H -0.0438 0.1665 0.6093 0.055 Uiso 1 1 calc R . . H2B H -0.0487 0.2170 0.6624 0.055 Uiso 1 1 calc R . . C3 C 0.1378(3) 0.1874(3) 0.65578(17) 0.0400(12) Uani 1 1 d . . . C4 C 0.1276(4) 0.2646(3) 0.63081(19) 0.0514(13) Uani 1 1 d . . . H4 H 0.0665 0.2790 0.6153 0.062 Uiso 1 1 calc R . . C5 C 0.2071(5) 0.3199(4) 0.6287(2) 0.0618(15) Uani 1 1 d . . . H5 H 0.1990 0.3707 0.6114 0.074 Uiso 1 1 calc R . . C6 C 0.2983(4) 0.3009(4) 0.6518(2) 0.0635(16) Uani 1 1 d . . . H6 H 0.3511 0.3388 0.6511 0.076 Uiso 1 1 calc R . . C7 C 0.3096(4) 0.2235(4) 0.6764(2) 0.0557(14) Uani 1 1 d . . . H7 H 0.3708 0.2099 0.6921 0.067 Uiso 1 1 calc R . . C8 C 0.2312(4) 0.1662(3) 0.67781(17) 0.0414(12) Uani 1 1 d . . . C9 C 0.2521(3) 0.0842(3) 0.70326(17) 0.0407(12) Uani 1 1 d . . . C10 C 0.2332(4) -0.0695(4) 0.7006(2) 0.0632(16) Uani 1 1 d . . . H10A H 0.2742 -0.0675 0.7324 0.076 Uiso 1 1 calc R . . H10B H 0.2696 -0.1009 0.6742 0.076 Uiso 1 1 calc R . . C11 C 0.1366(4) -0.1131(3) 0.7124(2) 0.0506(13) Uani 1 1 d . . . C12 C 0.1011(5) -0.1759(4) 0.6815(2) 0.0646(16) Uani 1 1 d . . . H12 H 0.1385 -0.1930 0.6526 0.077 Uiso 1 1 calc R . . C13 C 0.0112(6) -0.2153(4) 0.6919(3) 0.083(2) Uani 1 1 d . . . H13 H -0.0114 -0.2591 0.6708 0.100 Uiso 1 1 calc R . . C14 C -0.0441(5) -0.1884(5) 0.7342(4) 0.093(2) Uani 1 1 d . . . H14 H -0.1056 -0.2134 0.7415 0.111 Uiso 1 1 calc R . . C15 C -0.0097(6) -0.1259(5) 0.7653(3) 0.093(2) Uani 1 1 d . . . H15 H -0.0474 -0.1082 0.7940 0.112 Uiso 1 1 calc R . . C16 C 0.0805(5) -0.0881(4) 0.7547(2) 0.0713(17) Uani 1 1 d . . . H16 H 0.1037 -0.0454 0.7765 0.086 Uiso 1 1 calc R . . C17 C -0.1034(3) 0.0918(3) 0.72741(17) 0.0462(12) Uani 1 1 d . . . H17A H -0.0442 0.0582 0.7347 0.055 Uiso 1 1 calc R . . H17B H -0.0946 0.1458 0.7442 0.055 Uiso 1 1 calc R . . C18 C -0.2062(3) 0.0539(3) 0.80130(18) 0.0430(12) Uani 1 1 d . . . C19 C -0.1276(4) 0.0647(4) 0.83747(19) 0.0513(13) Uani 1 1 d . . . H19 H -0.0620 0.0711 0.8257 0.062 Uiso 1 1 calc R . . C20 C -0.1480(4) 0.0660(4) 0.8908(2) 0.0590(15) Uani 1 1 d . . . H20 H -0.0955 0.0729 0.9148 0.071 Uiso 1 1 calc R . . C21 C -0.2443(4) 0.0572(4) 0.9091(2) 0.0615(16) Uani 1 1 d . . . H21 H -0.2569 0.0577 0.9452 0.074 Uiso 1 1 calc R . . C22 C -0.3218(4) 0.0476(4) 0.87341(19) 0.0538(14) Uani 1 1 d . . . H22 H -0.3869 0.0413 0.8858 0.065 Uiso 1 1 calc R . . C23 C -0.3051(3) 0.0472(3) 0.81926(18) 0.0407(11) Uani 1 1 d . . . C24 C -0.3960(4) 0.0401(3) 0.78381(18) 0.0456(12) Uani 1 1 d . . . C25 C -0.4740(4) -0.0243(6) 0.7049(2) 0.105(3) Uani 1 1 d . . . H25A H -0.5349 0.0000 0.7190 0.126 Uiso 1 1 calc R . . H25B H -0.4833 -0.0843 0.7032 0.126 Uiso 1 1 calc R . . C26 C -0.4570(5) 0.0088(6) 0.6505(3) 0.082(2) Uani 1 1 d . . . C27 C -0.4783(7) 0.0884(8) 0.6414(5) 0.135(4) Uani 1 1 d . . . H27 H -0.5030 0.1217 0.6685 0.162 Uiso 1 1 calc R . . C28 C -0.4642(9) 0.1209(9) 0.5932(7) 0.176(7) Uani 1 1 d . . . H28 H -0.4802 0.1769 0.5881 0.212 Uiso 1 1 calc R . . C29 C -0.4274(10) 0.0764(14) 0.5507(5) 0.197(10) Uani 1 1 d . . . H29 H -0.4182 0.0998 0.5174 0.236 Uiso 1 1 calc R . . C30 C -0.4052(7) -0.0072(9) 0.5622(4) 0.136(4) Uani 1 1 d . . . H30 H -0.3809 -0.0415 0.5355 0.164 Uiso 1 1 calc R . . C31 C -0.4184(5) -0.0398(5) 0.6117(3) 0.082(2) Uani 1 1 d . . . H31 H -0.4009 -0.0950 0.6186 0.098 Uiso 1 1 calc R . . C32 C -0.1095(4) 0.0164(3) 0.64300(16) 0.0441(12) Uani 1 1 d . . . H32A H -0.0447 -0.0082 0.6512 0.053 Uiso 1 1 calc R . . H32B H -0.1614 -0.0196 0.6571 0.053 Uiso 1 1 calc R . . C33 C -0.1442(4) -0.0471(4) 0.5583(2) 0.0560(14) Uani 1 1 d . B . C34 C -0.1581(6) -0.1239(4) 0.5821(2) 0.081(2) Uani 1 1 d . . . H34 H -0.1488 -0.1299 0.6183 0.097 Uiso 1 1 calc R . . C35 C -0.1861(7) -0.1919(4) 0.5515(3) 0.109(3) Uani 1 1 d . . . H35 H -0.1972 -0.2432 0.5676 0.130 Uiso 1 1 calc R . . C36 C -0.1974(8) -0.1850(5) 0.4987(3) 0.125(3) Uani 1 1 d . . . H36 H -0.2153 -0.2312 0.4784 0.149 Uiso 1 1 calc R . . C37 C -0.1823(7) -0.1092(5) 0.4753(2) 0.100(3) Uani 1 1 d . B . H37 H -0.1900 -0.1049 0.4389 0.120 Uiso 1 1 calc R . . C38 C -0.1563(5) -0.0394(4) 0.5031(2) 0.0655(17) Uani 1 1 d . . . C39 C -0.1445(5) 0.0386(4) 0.4715(2) 0.082(2) Uani 1 1 d D B . C40 C -0.091(2) 0.1846(6) 0.4665(6) 0.127(11) Uani 0.50 1 d PD B 1 H40A H -0.1264 0.1891 0.4330 0.152 Uiso 0.50 1 calc PR B 1 H40B H -0.0190 0.1847 0.4600 0.152 Uiso 0.50 1 calc PR B 1 C41 C -0.1199(14) 0.2539(13) 0.5037(9) 0.059(8) Uani 0.50 1 d PD B 1 C42 C -0.0583(17) 0.3192(15) 0.5117(13) 0.064(7) Uani 0.50 1 d PD B 1 H42 H 0.0051 0.3198 0.4964 0.077 Uiso 0.50 1 calc PR B 1 C43 C -0.0893(19) 0.3855(10) 0.5426(8) 0.115(10) Uani 0.50 1 d PD B 1 H43 H -0.0467 0.4309 0.5476 0.138 Uiso 0.50 1 calc PR B 1 C44 C -0.182(2) 0.3854(14) 0.5661(16) 0.143(18) Uani 0.50 1 d PD B 1 H44 H -0.2017 0.4258 0.5904 0.171 Uiso 0.50 1 calc PR B 1 C45 C -0.2451(15) 0.3205(15) 0.5509(9) 0.127(9) Uani 0.50 1 d PD B 1 H45 H -0.3111 0.3219 0.5627 0.152 Uiso 0.50 1 calc PR B 1 C46 C -0.2183(13) 0.2574(14) 0.5213(9) 0.104(8) Uani 0.50 1 d PD B 1 H46 H -0.2641 0.2159 0.5123 0.125 Uiso 0.50 1 calc PR B 1 C40' C -0.134(2) 0.1927(5) 0.4714(6) 0.158(14) Uani 0.50 1 d PD B 2 H40C H -0.2006 0.1951 0.4563 0.189 Uiso 0.50 1 calc PR B 2 H40D H -0.0869 0.1951 0.4422 0.189 Uiso 0.50 1 calc PR B 2 C41' C -0.1189(17) 0.2715(14) 0.5032(11) 0.096(12) Uani 0.50 1 d PD B 2 C42' C -0.031(2) 0.3131(18) 0.5014(13) 0.078(8) Uani 0.50 1 d PD B 2 H42' H 0.0183 0.2963 0.4781 0.094 Uiso 0.50 1 calc PR B 2 C43' C -0.0156(14) 0.3811(12) 0.5342(9) 0.102(8) Uani 0.50 1 d PD B 2 H43' H 0.0421 0.4131 0.5303 0.122 Uiso 0.50 1 calc PR B 2 C44' C -0.084(2) 0.4022(12) 0.5726(7) 0.106(7) Uani 0.50 1 d PD B 2 H44' H -0.0725 0.4450 0.5967 0.127 Uiso 0.50 1 calc PR B 2 C45' C -0.171(2) 0.3550(17) 0.5726(16) 0.138(14) Uani 0.50 1 d PD B 2 H45' H -0.2214 0.3703 0.5961 0.165 Uiso 0.50 1 calc PR B 2 C46' C -0.1884(16) 0.2906(14) 0.5420(11) 0.125(14) Uani 0.50 1 d PD B 2 H46' H -0.2458 0.2583 0.5462 0.150 Uiso 0.50 1 calc PR B 2 C47 C -0.2198(4) 0.1423(4) 0.6549(2) 0.0551(14) Uani 1 1 d . . . H47A H -0.2201 0.1588 0.6180 0.066 Uiso 1 1 calc R . . H47B H -0.2709 0.0996 0.6590 0.066 Uiso 1 1 calc R . . C48 C -0.2500(5) 0.2173(4) 0.6877(3) 0.083(2) Uani 1 1 d . . . H48A H -0.2505 0.2022 0.7244 0.100 Uiso 1 1 calc R . . H48B H -0.3159 0.2354 0.6771 0.100 Uiso 1 1 calc R . . H48C H -0.2028 0.2617 0.6823 0.100 Uiso 1 1 calc R . . C49 C 0.5971(5) 0.2666(5) 0.8861(3) 0.118(3) Uani 1 1 d D . . H49A H 0.5862 0.2624 0.8486 0.141 Uiso 1 1 calc R C . H49B H 0.6642 0.2488 0.8945 0.141 Uiso 1 1 calc R . . H49C H 0.5883 0.3236 0.8970 0.141 Uiso 1 1 calc R . . C50 C 0.5234(4) 0.2122(4) 0.9142(2) 0.087(2) Uani 1 1 d D C . C51 C 0.4988(14) 0.1381(5) 0.9871(8) 0.219(7) Uani 0.521(19) 1 d PD C 1 H51A H 0.5479 0.1069 1.0075 0.263 Uiso 0.521(19) 1 calc PR C 1 H51B H 0.4754 0.1026 0.9584 0.263 Uiso 0.521(19) 1 calc PR C 1 C52 C 0.4113(8) 0.1608(9) 1.0218(4) 0.146(6) Uani 0.521(19) 1 d PD C 1 H52A H 0.4335 0.1989 1.0488 0.175 Uiso 0.521(19) 1 calc PR C 1 H52B H 0.3852 0.1112 1.0380 0.175 Uiso 0.521(19) 1 calc PR C 1 H52C H 0.3597 0.1867 1.0008 0.175 Uiso 0.521(19) 1 calc PR C 1 C51' C 0.5142(8) 0.1447(6) 0.9994(4) 0.219(7) Uani 0.48 1 d PRD C 2 H51C H 0.5411 0.1541 1.0346 0.263 Uiso 0.479(19) 1 calc PR C 2 H51D H 0.5423 0.0928 0.9864 0.263 Uiso 0.479(19) 1 calc PR C 2 C52' C 0.4023(9) 0.1357(10) 1.0028(7) 0.218(15) Uani 0.479(19) 1 d PD C 2 H52D H 0.3834 0.1285 1.0390 0.261 Uiso 0.479(19) 1 calc PR C 2 H52E H 0.3811 0.0880 0.9826 0.261 Uiso 0.479(19) 1 calc PR C 2 H52F H 0.3707 0.1850 0.9889 0.261 Uiso 0.479(19) 1 calc PR C 2 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 Eu 0.03273(13) 0.05126(16) 0.04038(14) -0.00473(14) -0.00476(9) 0.00167(14) O1 0.0326(17) 0.048(2) 0.0486(19) 0.0063(16) -0.0051(15) -0.0002(16) O2 0.050(2) 0.058(2) 0.0459(19) 0.0024(17) -0.0170(16) -0.0017(17) O3 0.0353(18) 0.080(3) 0.0336(17) -0.0149(17) 0.0004(14) -0.0102(18) O4 0.0343(19) 0.091(3) 0.044(2) -0.0070(19) 0.0014(15) 0.0066(19) O5 0.074(2) 0.050(2) 0.0335(18) -0.0042(16) -0.0056(17) -0.0056(19) O6 0.198(6) 0.112(4) 0.037(2) 0.003(2) -0.026(3) -0.060(4) O7 0.088(3) 0.059(2) 0.067(3) -0.004(2) -0.032(2) -0.001(2) O8 0.069(3) 0.065(3) 0.046(2) -0.003(2) -0.0086(19) 0.004(2) O9 0.097(4) 0.064(3) 0.104(4) 0.007(3) -0.029(3) 0.023(3) O10 0.077(3) 0.090(3) 0.076(3) 0.008(3) -0.018(3) -0.028(3) O11 0.095(4) 0.068(3) 0.110(4) 0.023(3) 0.021(3) 0.018(3) O12 0.179(6) 0.054(3) 0.120(4) 0.014(3) -0.027(4) 0.006(3) O13 0.051(2) 0.087(3) 0.063(2) -0.006(2) 0.0070(19) 0.006(2) O14 0.053(3) 0.122(4) 0.092(3) -0.043(3) 0.008(2) -0.024(3) O15 0.052(3) 0.123(4) 0.144(5) -0.027(4) 0.037(3) -0.006(3) O16 0.059(2) 0.083(3) 0.050(2) -0.012(2) -0.0086(18) -0.017(2) O17 0.263(9) 0.246(9) 0.094(5) 0.002(5) -0.052(5) -0.161(8) N1 0.058(3) 0.050(3) 0.044(2) 0.012(2) -0.023(2) -0.003(2) N2 0.035(3) 0.144(5) 0.072(3) -0.058(4) -0.007(2) 0.008(3) N3 0.216(8) 0.075(4) 0.037(3) 0.005(3) -0.013(4) -0.057(5) N4 0.050(3) 0.060(4) 0.067(3) 0.008(3) -0.006(2) 0.008(2) N5 0.105(5) 0.053(4) 0.064(3) -0.004(3) -0.020(3) 0.004(4) N6 0.044(3) 0.058(3) 0.097(4) -0.006(3) 0.021(3) -0.004(3) C1 0.037(2) 0.053(3) 0.036(2) -0.005(2) -0.007(2) 0.009(3) C2 0.035(3) 0.056(3) 0.047(3) 0.003(3) -0.010(2) 0.005(2) C3 0.039(3) 0.047(3) 0.035(3) -0.005(2) 0.002(2) 0.002(2) C4 0.054(3) 0.054(3) 0.046(3) 0.007(3) -0.003(2) 0.003(3) C5 0.077(4) 0.050(4) 0.058(4) 0.012(3) 0.009(3) -0.006(3) C6 0.061(4) 0.061(4) 0.068(4) 0.001(3) 0.012(3) -0.019(3) C7 0.044(3) 0.067(4) 0.056(3) 0.000(3) 0.001(3) -0.009(3) C8 0.043(3) 0.048(3) 0.034(3) -0.001(2) 0.004(2) -0.002(2) C9 0.031(2) 0.059(4) 0.032(2) -0.003(2) 0.0010(19) -0.002(2) C10 0.058(4) 0.061(4) 0.070(4) 0.004(3) -0.023(3) -0.002(3) C11 0.062(3) 0.048(3) 0.042(3) 0.008(3) -0.014(3) 0.003(3) C12 0.088(5) 0.058(4) 0.047(3) 0.008(3) -0.014(3) -0.011(3) C13 0.110(6) 0.072(5) 0.068(4) 0.020(4) -0.029(4) -0.025(5) C14 0.073(5) 0.081(6) 0.123(7) 0.050(5) -0.014(5) -0.021(4) C15 0.094(6) 0.077(5) 0.108(6) 0.027(5) 0.029(5) 0.003(4) C16 0.098(5) 0.052(4) 0.064(4) 0.002(3) 0.000(4) 0.000(4) C17 0.034(2) 0.068(3) 0.037(2) -0.005(3) -0.003(2) -0.001(3) C18 0.035(3) 0.057(3) 0.036(3) -0.011(2) 0.000(2) 0.000(2) C19 0.040(3) 0.069(4) 0.046(3) -0.013(3) -0.004(2) -0.002(3) C20 0.051(3) 0.085(4) 0.042(3) -0.016(3) -0.012(3) 0.003(3) C21 0.061(4) 0.089(4) 0.034(3) -0.012(3) 0.000(3) 0.012(3) C22 0.041(3) 0.077(4) 0.043(3) -0.010(3) 0.001(2) 0.004(3) C23 0.037(3) 0.048(3) 0.037(3) -0.007(2) 0.000(2) 0.002(2) C24 0.041(3) 0.058(3) 0.037(3) -0.011(2) 0.005(2) -0.004(3) C25 0.048(4) 0.201(9) 0.067(4) -0.061(5) -0.007(3) -0.018(5) C26 0.045(4) 0.121(7) 0.080(5) -0.034(5) -0.024(3) -0.001(4) C27 0.089(6) 0.145(10) 0.170(11) -0.021(8) -0.045(7) 0.034(7) C28 0.111(10) 0.169(13) 0.248(16) 0.097(14) -0.090(12) -0.012(8) C29 0.106(9) 0.38(3) 0.105(8) 0.101(14) -0.054(7) -0.090(14) C30 0.111(8) 0.236(14) 0.063(6) -0.006(7) -0.015(5) -0.058(9) C31 0.070(4) 0.116(6) 0.058(4) -0.021(4) -0.004(3) -0.006(4) C32 0.051(3) 0.052(3) 0.030(2) 0.001(2) -0.002(2) 0.004(3) C33 0.071(4) 0.058(4) 0.040(3) -0.007(3) 0.006(3) 0.002(3) C34 0.127(6) 0.062(4) 0.053(4) -0.006(3) -0.001(4) 0.006(4) C35 0.204(9) 0.048(4) 0.075(5) -0.005(4) 0.015(5) -0.011(5) C36 0.234(11) 0.069(5) 0.070(5) -0.026(4) 0.015(6) -0.044(6) C37 0.171(8) 0.086(6) 0.044(3) -0.017(4) 0.007(4) -0.039(5) C38 0.091(5) 0.071(4) 0.035(3) -0.008(3) 0.000(3) -0.018(4) C39 0.107(5) 0.095(5) 0.043(4) -0.009(4) -0.004(3) -0.034(4) C40 0.22(2) 0.078(16) 0.086(15) -0.016(12) 0.070(15) -0.069(14) C41 0.11(2) 0.038(9) 0.029(9) 0.013(7) 0.005(11) -0.002(9) C42 0.059(13) 0.068(15) 0.066(13) 0.010(10) 0.012(10) 0.003(10) C43 0.20(3) 0.053(12) 0.089(15) -0.026(11) -0.020(19) -0.038(18) C44 0.19(3) 0.044(17) 0.20(3) -0.05(2) 0.07(3) 0.021(17) C45 0.124(19) 0.14(2) 0.120(17) -0.004(15) 0.004(16) 0.039(18) C46 0.101(18) 0.118(19) 0.094(14) 0.036(12) 0.002(14) -0.024(13) C40' 0.34(4) 0.092(19) 0.039(11) 0.026(12) -0.055(15) -0.051(19) C41' 0.12(3) 0.076(18) 0.09(2) 0.056(15) -0.03(2) -0.008(17) C42' 0.075(14) 0.082(17) 0.077(17) 0.029(11) 0.010(10) 0.008(13) C43' 0.102(14) 0.084(15) 0.119(18) 0.035(13) -0.031(14) -0.009(12) C44' 0.16(2) 0.064(13) 0.093(14) -0.007(11) -0.031(15) 0.020(14) C45' 0.14(3) 0.07(3) 0.20(3) 0.01(3) 0.07(2) 0.05(2) C46' 0.064(13) 0.09(2) 0.22(4) 0.09(2) -0.02(2) -0.014(14) C47 0.040(3) 0.061(4) 0.064(3) -0.002(3) -0.011(3) 0.005(3) C48 0.061(4) 0.085(5) 0.103(5) -0.024(4) -0.013(4) 0.023(4) C49 0.091(6) 0.108(7) 0.155(8) 0.042(6) -0.024(5) -0.039(5) C50 0.088(5) 0.099(6) 0.074(5) -0.011(4) -0.015(4) 0.005(5) C51 0.23(2) 0.217 0.210 -0.090(13) -0.153(13) 0.004(14) C52 0.082(11) 0.230 0.124(15) -0.130(12) -0.049(10) 0.016(13) C51' 0.23(2) 0.217 0.210 -0.090(13) -0.153(13) 0.004(14) C52' 0.37(5) 0.233 0.049(11) -0.052(14) -0.008(18) -0.17(3) _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 Eu O2 2.312(3) . ? Eu O4 2.330(3) 1_655 ? Eu O16 2.388(3) . ? Eu O11 2.458(4) . ? Eu O13 2.473(4) . ? Eu O14 2.476(4) . ? Eu O8 2.492(4) . ? Eu O7 2.498(4) . ? Eu O10 2.541(4) . ? Eu N6 2.880(5) . ? Eu N5 2.898(6) . ? Eu N4 2.911(5) . ? O1 C3 1.348(5) . ? O1 C2 1.443(5) . ? O2 C9 1.247(5) . ? O3 C18 1.372(5) . ? O3 C17 1.435(5) . ? O4 C24 1.234(6) . ? O4 Eu 2.330(3) 1_455 ? O5 C33 1.378(6) . ? O5 C32 1.440(5) . ? O6 C39 1.227(6) . ? O7 N4 1.267(6) . ? O8 N4 1.258(5) . ? O9 N4 1.207(6) . ? O10 N5 1.274(7) . ? O11 N5 1.234(7) . ? O12 N5 1.234(6) . ? O13 N6 1.261(6) . ? O14 N6 1.234(6) . ? O15 N6 1.217(6) . ? O16 C50 1.229(4) . ? O17 C50 1.324(4) . ? O17 C51' 1.453(4) . ? O17 C51 1.458(4) . ? N1 C9 1.313(6) . ? N1 C10 1.471(6) . ? N2 C24 1.304(6) . ? N2 C25 1.491(6) . ? N3 C39 1.311(4) . ? N3 C40 1.499(4) . ? N3 C40' 1.500(4) . ? C1 C2 1.507(7) . ? C1 C32 1.521(6) . ? C1 C17 1.532(6) . ? C1 C47 1.541(6) . ? C3 C4 1.394(7) . ? C3 C8 1.401(6) . ? C4 C5 1.381(7) . ? C5 C6 1.377(8) . ? C6 C7 1.393(8) . ? C7 C8 1.390(7) . ? C8 C9 1.489(7) . ? C10 C11 1.496(7) . ? C11 C12 1.356(7) . ? C11 C16 1.371(8) . ? C12 C13 1.381(9) . ? C13 C14 1.373(10) . ? C14 C15 1.351(10) . ? C15 C16 1.372(9) . ? C18 C19 1.397(6) . ? C18 C23 1.400(6) . ? C19 C20 1.378(7) . ? C20 C21 1.374(7) . ? C21 C22 1.374(7) . ? C22 C23 1.390(6) . ? C23 C24 1.505(6) . ? C25 C26 1.495(10) . ? C26 C27 1.325(12) . ? C26 C31 1.358(9) . ? C27 C28 1.339(16) . ? C28 C29 1.385(19) . ? C29 C30 1.400(19) . ? C30 C31 1.369(11) . ? C33 C34 1.382(8) . ? C33 C38 1.410(7) . ? C34 C35 1.385(9) . ? C35 C36 1.349(9) . ? C36 C37 1.365(9) . ? C37 C38 1.363(8) . ? C38 C39 1.493(8) . ? C40 C41 1.509(3) . ? C41 C42 1.342(13) . ? C41 C46 1.388(15) . ? C42 C43 1.384(17) . ? C43 C44 1.38(3) . ? C44 C45 1.39(3) . ? C45 C46 1.31(3) . ? C40' C41' 1.509(3) . ? C41' C42' 1.342(13) . ? C41' C46' 1.388(15) . ? C42' C43' 1.384(17) . ? C43' C44' 1.38(3) . ? C44' C45' 1.38(3) . ? C45' C46' 1.31(3) . ? C47 C48 1.515(8) . ? C49 C50 1.497(4) . ? C51 C52 1.509(4) . ? C51' C52' 1.500(4) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O2 Eu O4 86.55(12) . 1_655 ? O2 Eu O16 152.93(13) . . ? O4 Eu O16 81.31(12) 1_655 . ? O2 Eu O11 82.87(15) . . ? O4 Eu O11 130.81(16) 1_655 . ? O16 Eu O11 86.91(16) . . ? O2 Eu O13 125.93(13) . . ? O4 Eu O13 146.12(12) 1_655 . ? O16 Eu O13 72.56(13) . . ? O11 Eu O13 69.74(15) . . ? O2 Eu O14 76.16(14) . . ? O4 Eu O14 152.92(14) 1_655 . ? O16 Eu O14 122.71(14) . . ? O11 Eu O14 68.12(18) . . ? O13 Eu O14 50.77(14) . . ? O2 Eu O8 126.47(12) . . ? O4 Eu O8 77.00(13) 1_655 . ? O16 Eu O8 74.10(13) . . ? O11 Eu O8 143.97(14) . . ? O13 Eu O8 75.38(13) . . ? O14 Eu O8 96.55(16) . . ? O2 Eu O7 75.91(12) . . ? O4 Eu O7 77.47(14) 1_655 . ? O16 Eu O7 124.10(13) . . ? O11 Eu O7 143.60(16) . . ? O13 Eu O7 99.51(14) . . ? O14 Eu O7 78.18(15) . . ? O8 Eu O7 50.98(12) . . ? O2 Eu O10 80.76(13) . . ? O4 Eu O10 79.93(16) 1_655 . ? O16 Eu O10 73.37(13) . . ? O11 Eu O10 51.00(16) . . ? O13 Eu O10 111.63(15) . . ? O14 Eu O10 116.77(17) . . ? O8 Eu O10 142.40(13) . . ? O7 Eu O10 148.24(16) . . ? O2 Eu N6 100.22(15) . . ? O4 Eu N6 165.13(14) 1_655 . ? O16 Eu N6 97.51(15) . . ? O11 Eu N6 63.62(16) . . ? O13 Eu N6 25.85(13) . . ? O14 Eu N6 25.24(13) . . ? O8 Eu N6 88.39(14) . . ? O7 Eu N6 91.25(14) . . ? O10 Eu N6 114.08(16) . . ? O2 Eu N5 80.98(13) . . ? O4 Eu N5 105.92(17) 1_655 . ? O16 Eu N5 79.26(14) . . ? O11 Eu N5 24.96(15) . . ? O13 Eu N5 90.25(16) . . ? O14 Eu N5 91.96(19) . . ? O8 Eu N5 152.47(14) . . ? O7 Eu N5 156.43(13) . . ? O10 Eu N5 26.04(15) . . ? N6 Eu N5 88.31(17) . . ? O2 Eu N4 101.11(13) . . ? O4 Eu N4 74.10(13) 1_655 . ? O16 Eu N4 98.70(14) . . ? O11 Eu N4 155.09(15) . . ? O13 Eu N4 88.69(14) . . ? O14 Eu N4 88.77(15) . . ? O8 Eu N4 25.43(11) . . ? O7 Eu N4 25.66(12) . . ? O10 Eu N4 153.76(15) . . ? N6 Eu N4 91.52(14) . . ? N5 Eu N4 177.90(14) . . ? C3 O1 C2 117.2(4) . . ? C9 O2 Eu 158.7(3) . . ? C18 O3 C17 117.8(3) . . ? C24 O4 Eu 163.6(4) . 1_455 ? C33 O5 C32 117.9(4) . . ? N4 O7 Eu 95.7(3) . . ? N4 O8 Eu 96.2(3) . . ? N5 O10 Eu 92.8(4) . . ? N5 O11 Eu 97.9(4) . . ? N6 O13 Eu 95.4(3) . . ? N6 O14 Eu 96.0(3) . . ? C50 O16 Eu 155.5(4) . . ? C50 O17 C51' 120.8(7) . . ? C50 O17 C51 105.7(11) . . ? C51' O17 C51 15.3(13) . . ? C9 N1 C10 125.3(4) . . ? C24 N2 C25 124.0(5) . . ? C39 N3 C40 121.1(8) . . ? C39 N3 C40' 122.9(8) . . ? C40 N3 C40' 23.0(18) . . ? O9 N4 O8 122.6(5) . . ? O9 N4 O7 120.8(5) . . ? O8 N4 O7 116.6(5) . . ? O9 N4 Eu 171.9(4) . . ? O8 N4 Eu 58.3(3) . . ? O7 N4 Eu 58.7(3) . . ? O11 N5 O12 120.9(7) . . ? O11 N5 O10 118.3(6) . . ? O12 N5 O10 120.8(7) . . ? O11 N5 Eu 57.2(3) . . ? O12 N5 Eu 178.0(6) . . ? O10 N5 Eu 61.2(3) . . ? O15 N6 O14 122.8(6) . . ? O15 N6 O13 120.8(6) . . ? O14 N6 O13 116.5(4) . . ? O15 N6 Eu 168.6(4) . . ? O14 N6 Eu 58.8(3) . . ? O13 N6 Eu 58.8(2) . . ? C2 C1 C32 112.6(4) . . ? C2 C1 C17 109.3(4) . . ? C32 C1 C17 107.0(4) . . ? C2 C1 C47 107.0(4) . . ? C32 C1 C47 110.3(4) . . ? C17 C1 C47 110.6(4) . . ? O1 C2 C1 110.8(4) . . ? O1 C3 C4 123.4(4) . . ? O1 C3 C8 118.1(4) . . ? C4 C3 C8 118.5(5) . . ? C5 C4 C3 120.9(5) . . ? C6 C5 C4 121.0(5) . . ? C5 C6 C7 118.6(5) . . ? C8 C7 C6 121.3(5) . . ? C7 C8 C3 119.7(5) . . ? C7 C8 C9 117.1(4) . . ? C3 C8 C9 123.3(4) . . ? O2 C9 N1 120.5(5) . . ? O2 C9 C8 120.5(4) . . ? N1 C9 C8 118.9(4) . . ? N1 C10 C11 111.7(4) . . ? C12 C11 C16 118.5(6) . . ? C12 C11 C10 121.9(5) . . ? C16 C11 C10 119.6(5) . . ? C11 C12 C13 121.9(6) . . ? C14 C13 C12 118.4(7) . . ? C15 C14 C13 120.3(7) . . ? C14 C15 C16 120.4(8) . . ? C11 C16 C15 120.4(6) . . ? O3 C17 C1 108.4(4) . . ? O3 C18 C19 122.4(4) . . ? O3 C18 C23 117.6(4) . . ? C19 C18 C23 119.9(4) . . ? C20 C19 C18 119.4(5) . . ? C21 C20 C19 121.4(5) . . ? C20 C21 C22 119.1(5) . . ? C21 C22 C23 121.6(5) . . ? C22 C23 C18 118.5(4) . . ? C22 C23 C24 117.1(4) . . ? C18 C23 C24 124.5(4) . . ? O4 C24 N2 122.7(5) . . ? O4 C24 C23 119.4(4) . . ? N2 C24 C23 117.9(4) . . ? N2 C25 C26 111.9(6) . . ? C27 C26 C31 120.5(9) . . ? C27 C26 C25 117.9(9) . . ? C31 C26 C25 121.6(8) . . ? C26 C27 C28 120.1(12) . . ? C27 C28 C29 124.1(15) . . ? C28 C29 C30 113.9(13) . . ? C31 C30 C29 121.8(12) . . ? C26 C31 C30 119.6(9) . . ? O5 C32 C1 108.8(4) . . ? O5 C33 C34 122.6(5) . . ? O5 C33 C38 117.8(5) . . ? C34 C33 C38 119.6(5) . . ? C33 C34 C35 119.5(6) . . ? C36 C35 C34 121.1(7) . . ? C35 C36 C37 119.1(7) . . ? C38 C37 C36 122.9(6) . . ? C37 C38 C33 117.8(6) . . ? C37 C38 C39 115.9(5) . . ? C33 C38 C39 126.3(5) . . ? O6 C39 N3 119.7(6) . . ? O6 C39 C38 121.6(5) . . ? N3 C39 C38 118.6(5) . . ? N3 C40 C41 102.2(12) . . ? C42 C41 C46 119.9(13) . . ? C42 C41 C40 120.4(11) . . ? C46 C41 C40 118.6(15) . . ? C41 C42 C43 119.8(16) . . ? C44 C43 C42 121.0(17) . . ? C43 C44 C45 115(2) . . ? C46 C45 C44 125(2) . . ? C45 C46 C41 118.5(18) . . ? N3 C40' C41' 121.2(16) . . ? C42' C41' C46' 119.9(14) . . ? C42' C41' C40' 120.3(11) . . ? C46' C41' C40' 118.5(15) . . ? C41' C42' C43' 119.8(16) . . ? C44' C43' C42' 121.1(17) . . ? C43' C44' C45' 115(2) . . ? C46' C45' C44' 125(2) . . ? C45' C46' C41' 118.5(18) . . ? C48 C47 C1 116.7(4) . . ? O16 C50 O17 121.3(5) . . ? O16 C50 C49 130.1(5) . . ? O17 C50 C49 108.4(5) . . ? O17 C51 C52 111.2(4) . . ? O17 C51' C52' 113.5(5) . . ? 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 O4 Eu O2 C9 -161.0(9) 1_655 . . . ? O16 Eu O2 C9 -97.8(9) . . . . ? O11 Eu O2 C9 -29.1(9) . . . . ? O13 Eu O2 C9 29.4(10) . . . . ? O14 Eu O2 C9 40.0(9) . . . . ? O8 Eu O2 C9 128.0(9) . . . . ? O7 Eu O2 C9 121.1(9) . . . . ? O10 Eu O2 C9 -80.6(9) . . . . ? N6 Eu O2 C9 32.4(9) . . . . ? N5 Eu O2 C9 -54.3(9) . . . . ? N4 Eu O2 C9 126.0(9) . . . . ? O2 Eu O7 N4 168.9(3) . . . . ? O4 Eu O7 N4 79.3(3) 1_655 . . . ? O16 Eu O7 N4 9.0(4) . . . . ? O11 Eu O7 N4 -134.9(3) . . . . ? O13 Eu O7 N4 -66.3(3) . . . . ? O14 Eu O7 N4 -112.6(3) . . . . ? O8 Eu O7 N4 -4.0(3) . . . . ? O10 Eu O7 N4 124.9(3) . . . . ? N6 Eu O7 N4 -90.9(3) . . . . ? N5 Eu O7 N4 -179.5(4) . . . . ? O2 Eu O8 N4 -4.6(4) . . . . ? O4 Eu O8 N4 -80.3(3) 1_655 . . . ? O16 Eu O8 N4 -164.8(3) . . . . ? O11 Eu O8 N4 134.4(3) . . . . ? O13 Eu O8 N4 119.6(3) . . . . ? O14 Eu O8 N4 73.0(3) . . . . ? O7 Eu O8 N4 4.0(3) . . . . ? O10 Eu O8 N4 -133.8(3) . . . . ? N6 Eu O8 N4 96.9(3) . . . . ? N5 Eu O8 N4 -179.8(4) . . . . ? O2 Eu O10 N5 88.3(3) . . . . ? O4 Eu O10 N5 176.5(3) 1_655 . . . ? O16 Eu O10 N5 -99.7(3) . . . . ? O11 Eu O10 N5 0.1(3) . . . . ? O13 Eu O10 N5 -36.8(3) . . . . ? O14 Eu O10 N5 19.1(4) . . . . ? O8 Eu O10 N5 -130.8(3) . . . . ? O7 Eu O10 N5 131.3(4) . . . . ? N6 Eu O10 N5 -8.8(4) . . . . ? N4 Eu O10 N5 -175.3(3) . . . . ? O2 Eu O11 N5 -83.9(4) . . . . ? O4 Eu O11 N5 -4.8(5) 1_655 . . . ? O16 Eu O11 N5 71.0(4) . . . . ? O13 Eu O11 N5 143.5(4) . . . . ? O14 Eu O11 N5 -161.8(4) . . . . ? O8 Eu O11 N5 128.2(3) . . . . ? O7 Eu O11 N5 -138.3(3) . . . . ? O10 Eu O11 N5 -0.1(3) . . . . ? N6 Eu O11 N5 170.9(4) . . . . ? N4 Eu O11 N5 175.0(3) . . . . ? O2 Eu O13 N6 6.6(4) . . . . ? O4 Eu O13 N6 -154.5(3) 1_655 . . . ? O16 Eu O13 N6 164.3(3) . . . . ? O11 Eu O13 N6 71.1(3) . . . . ? O14 Eu O13 N6 -6.7(3) . . . . ? O8 Eu O13 N6 -118.1(3) . . . . ? O7 Eu O13 N6 -72.8(3) . . . . ? O10 Eu O13 N6 100.8(3) . . . . ? N5 Eu O13 N6 85.6(3) . . . . ? N4 Eu O13 N6 -96.2(3) . . . . ? O2 Eu O14 N6 -162.1(4) . . . . ? O4 Eu O14 N6 146.1(3) 1_655 . . . ? O16 Eu O14 N6 -3.4(5) . . . . ? O11 Eu O14 N6 -74.3(4) . . . . ? O13 Eu O14 N6 6.9(3) . . . . ? O8 Eu O14 N6 71.9(4) . . . . ? O7 Eu O14 N6 119.8(4) . . . . ? O10 Eu O14 N6 -90.1(4) . . . . ? N5 Eu O14 N6 -81.8(4) . . . . ? N4 Eu O14 N6 96.2(4) . . . . ? O2 Eu O16 C50 -24.3(12) . . . . ? O4 Eu O16 C50 40.0(11) 1_655 . . . ? O11 Eu O16 C50 -92.1(11) . . . . ? O13 Eu O16 C50 -161.8(11) . . . . ? O14 Eu O16 C50 -153.5(11) . . . . ? O8 Eu O16 C50 118.9(11) . . . . ? O7 Eu O16 C50 108.4(11) . . . . ? O10 Eu O16 C50 -42.0(11) . . . . ? N6 Eu O16 C50 -154.9(11) . . . . ? N5 Eu O16 C50 -68.1(11) . . . . ? N4 Eu O16 C50 112.3(11) . . . . ? Eu O8 N4 O9 170.5(5) . . . . ? Eu O8 N4 O7 -6.9(5) . . . . ? Eu O7 N4 O9 -170.6(5) . . . . ? Eu O7 N4 O8 6.9(5) . . . . ? O2 Eu N4 O9 77(3) . . . . ? O4 Eu N4 O9 -6(3) 1_655 . . . ? O16 Eu N4 O9 -84(3) . . . . ? O11 Eu N4 O9 174(3) . . . . ? O13 Eu N4 O9 -156(3) . . . . ? O14 Eu N4 O9 153(3) . . . . ? O8 Eu N4 O9 -99(3) . . . . ? O7 Eu N4 O9 88(3) . . . . ? O10 Eu N4 O9 -14(3) . . . . ? N6 Eu N4 O9 178(100) . . . . ? N5 Eu N4 O9 -97(6) . . . . ? O2 Eu N4 O8 176.2(3) . . . . ? O4 Eu N4 O8 93.1(3) 1_655 . . . ? O16 Eu N4 O8 14.8(3) . . . . ? O11 Eu N4 O8 -86.7(5) . . . . ? O13 Eu N4 O8 -57.3(3) . . . . ? O14 Eu N4 O8 -108.1(3) . . . . ? O7 Eu N4 O8 -172.8(5) . . . . ? O10 Eu N4 O8 84.6(4) . . . . ? N6 Eu N4 O8 -83.0(3) . . . . ? N5 Eu N4 O8 2(5) . . . . ? O2 Eu N4 O7 -11.0(3) . . . . ? O4 Eu N4 O7 -94.1(3) 1_655 . . . ? O16 Eu N4 O7 -172.4(3) . . . . ? O11 Eu N4 O7 86.0(5) . . . . ? O13 Eu N4 O7 115.4(3) . . . . ? O14 Eu N4 O7 64.6(3) . . . . ? O8 Eu N4 O7 172.8(5) . . . . ? O10 Eu N4 O7 -102.6(4) . . . . ? N6 Eu N4 O7 89.7(3) . . . . ? N5 Eu N4 O7 175(5) . . . . ? Eu O11 N5 O12 179.6(5) . . . . ? Eu O11 N5 O10 0.1(6) . . . . ? Eu O10 N5 O11 -0.1(6) . . . . ? Eu O10 N5 O12 -179.6(5) . . . . ? O2 Eu N5 O11 92.5(4) . . . . ? O4 Eu N5 O11 176.2(4) 1_655 . . . ? O16 Eu N5 O11 -106.1(4) . . . . ? O13 Eu N5 O11 -33.9(4) . . . . ? O14 Eu N5 O11 16.8(4) . . . . ? O8 Eu N5 O11 -91.4(5) . . . . ? O7 Eu N5 O11 81.1(6) . . . . ? O10 Eu N5 O11 179.9(6) . . . . ? N6 Eu N5 O11 -8.1(4) . . . . ? N4 Eu N5 O11 -93(5) . . . . ? O2 Eu N5 O12 82(13) . . . . ? O4 Eu N5 O12 165(13) 1_655 . . . ? O16 Eu N5 O12 -117(13) . . . . ? O11 Eu N5 O12 -11(12) . . . . ? O13 Eu N5 O12 -45(13) . . . . ? O14 Eu N5 O12 6(13) . . . . ? O8 Eu N5 O12 -102(12) . . . . ? O7 Eu N5 O12 70(13) . . . . ? O10 Eu N5 O12 169(13) . . . . ? N6 Eu N5 O12 -19(13) . . . . ? N4 Eu N5 O12 -104(13) . . . . ? O2 Eu N5 O10 -87.4(3) . . . . ? O4 Eu N5 O10 -3.6(3) 1_655 . . . ? O16 Eu N5 O10 74.0(3) . . . . ? O11 Eu N5 O10 -179.9(6) . . . . ? O13 Eu N5 O10 146.2(3) . . . . ? O14 Eu N5 O10 -163.0(3) . . . . ? O8 Eu N5 O10 88.7(5) . . . . ? O7 Eu N5 O10 -98.8(5) . . . . ? N6 Eu N5 O10 172.0(3) . . . . ? N4 Eu N5 O10 87(5) . . . . ? Eu O14 N6 O15 166.7(5) . . . . ? Eu O14 N6 O13 -11.7(6) . . . . ? Eu O13 N6 O15 -166.7(5) . . . . ? Eu O13 N6 O14 11.7(6) . . . . ? O2 Eu N6 O15 -84(2) . . . . ? O4 Eu N6 O15 160(2) 1_655 . . . ? O16 Eu N6 O15 76(2) . . . . ? O11 Eu N6 O15 -7(2) . . . . ? O13 Eu N6 O15 91(2) . . . . ? O14 Eu N6 O15 -101(3) . . . . ? O8 Eu N6 O15 150(2) . . . . ? O7 Eu N6 O15 -159(2) . . . . ? O10 Eu N6 O15 1(2) . . . . ? N5 Eu N6 O15 -3(2) . . . . ? N4 Eu N6 O15 175(2) . . . . ? O2 Eu N6 O14 17.7(4) . . . . ? O4 Eu N6 O14 -98.4(7) 1_655 . . . ? O16 Eu N6 O14 177.1(4) . . . . ? O11 Eu N6 O14 94.4(4) . . . . ? O13 Eu N6 O14 -167.7(6) . . . . ? O8 Eu N6 O14 -109.1(4) . . . . ? O7 Eu N6 O14 -58.2(4) . . . . ? O10 Eu N6 O14 102.1(4) . . . . ? N5 Eu N6 O14 98.2(4) . . . . ? N4 Eu N6 O14 -83.9(4) . . . . ? O2 Eu N6 O13 -174.6(3) . . . . ? O4 Eu N6 O13 69.3(7) 1_655 . . . ? O16 Eu N6 O13 -15.1(3) . . . . ? O11 Eu N6 O13 -97.9(3) . . . . ? O14 Eu N6 O13 167.7(6) . . . . ? O8 Eu N6 O13 58.6(3) . . . . ? O7 Eu N6 O13 109.5(3) . . . . ? O10 Eu N6 O13 -90.2(3) . . . . ? N5 Eu N6 O13 -94.1(3) . . . . ? N4 Eu N6 O13 83.8(3) . . . . ? C3 O1 C2 C1 -166.5(4) . . . . ? C32 C1 C2 O1 -63.1(5) . . . . ? C17 C1 C2 O1 55.8(5) . . . . ? C47 C1 C2 O1 175.6(4) . . . . ? C2 O1 C3 C4 -9.2(6) . . . . ? C2 O1 C3 C8 168.7(4) . . . . ? O1 C3 C4 C5 176.4(5) . . . . ? C8 C3 C4 C5 -1.4(7) . . . . ? C3 C4 C5 C6 -0.9(8) . . . . ? C4 C5 C6 C7 1.6(9) . . . . ? C5 C6 C7 C8 -0.1(8) . . . . ? C6 C7 C8 C3 -2.2(8) . . . . ? C6 C7 C8 C9 177.8(5) . . . . ? O1 C3 C8 C7 -175.1(4) . . . . ? C4 C3 C8 C7 2.8(7) . . . . ? O1 C3 C8 C9 4.9(7) . . . . ? C4 C3 C8 C9 -177.2(4) . . . . ? Eu O2 C9 N1 -116.2(9) . . . . ? Eu O2 C9 C8 68.8(10) . . . . ? C10 N1 C9 O2 2.7(8) . . . . ? C10 N1 C9 C8 177.8(5) . . . . ? C7 C8 C9 O2 36.0(6) . . . . ? C3 C8 C9 O2 -144.0(5) . . . . ? C7 C8 C9 N1 -139.0(5) . . . . ? C3 C8 C9 N1 41.0(6) . . . . ? C9 N1 C10 C11 122.0(5) . . . . ? N1 C10 C11 C12 108.6(6) . . . . ? N1 C10 C11 C16 -69.9(6) . . . . ? C16 C11 C12 C13 -0.4(8) . . . . ? C10 C11 C12 C13 -179.0(5) . . . . ? C11 C12 C13 C14 1.2(9) . . . . ? C12 C13 C14 C15 -1.2(10) . . . . ? C13 C14 C15 C16 0.4(11) . . . . ? C12 C11 C16 C15 -0.4(9) . . . . ? C10 C11 C16 C15 178.2(6) . . . . ? C14 C15 C16 C11 0.4(10) . . . . ? C18 O3 C17 C1 -164.0(4) . . . . ? C2 C1 C17 O3 167.2(4) . . . . ? C32 C1 C17 O3 -70.6(5) . . . . ? C47 C1 C17 O3 49.6(6) . . . . ? C17 O3 C18 C19 -24.5(7) . . . . ? C17 O3 C18 C23 154.0(5) . . . . ? O3 C18 C19 C20 -179.4(5) . . . . ? C23 C18 C19 C20 2.1(8) . . . . ? C18 C19 C20 C21 -0.3(9) . . . . ? C19 C20 C21 C22 -0.5(9) . . . . ? C20 C21 C22 C23 -0.4(9) . . . . ? C21 C22 C23 C18 2.2(8) . . . . ? C21 C22 C23 C24 -177.4(5) . . . . ? O3 C18 C23 C22 178.4(5) . . . . ? C19 C18 C23 C22 -3.0(8) . . . . ? O3 C18 C23 C24 -2.1(8) . . . . ? C19 C18 C23 C24 176.5(5) . . . . ? Eu O4 C24 N2 74.3(13) 1_455 . . . ? Eu O4 C24 C23 -102.1(11) 1_455 . . . ? C25 N2 C24 O4 -2.2(10) . . . . ? C25 N2 C24 C23 174.2(6) . . . . ? C22 C23 C24 O4 34.5(7) . . . . ? C18 C23 C24 O4 -145.0(5) . . . . ? C22 C23 C24 N2 -142.0(6) . . . . ? C18 C23 C24 N2 38.5(8) . . . . ? C24 N2 C25 C26 118.8(7) . . . . ? N2 C25 C26 C27 -82.7(9) . . . . ? N2 C25 C26 C31 95.5(8) . . . . ? C31 C26 C27 C28 1.8(13) . . . . ? C25 C26 C27 C28 180.0(8) . . . . ? C26 C27 C28 C29 -0.3(18) . . . . ? C27 C28 C29 C30 0(2) . . . . ? C28 C29 C30 C31 -0.8(18) . . . . ? C27 C26 C31 C30 -2.7(11) . . . . ? C25 C26 C31 C30 179.2(6) . . . . ? C29 C30 C31 C26 2.2(14) . . . . ? C33 O5 C32 C1 -163.0(4) . . . . ? C2 C1 C32 O5 -59.7(5) . . . . ? C17 C1 C32 O5 -179.8(4) . . . . ? C47 C1 C32 O5 59.7(5) . . . . ? C32 O5 C33 C34 1.9(8) . . . . ? C32 O5 C33 C38 179.8(5) . . . . ? O5 C33 C34 C35 176.5(6) . . . . ? C38 C33 C34 C35 -1.4(10) . . . . ? C33 C34 C35 C36 1.7(13) . . . . ? C34 C35 C36 C37 -0.9(15) . . . . ? C35 C36 C37 C38 -0.2(15) . . . . ? C36 C37 C38 C33 0.4(13) . . . . ? C36 C37 C38 C39 -178.9(8) . . . . ? O5 C33 C38 C37 -177.6(6) . . . . ? C34 C33 C38 C37 0.4(10) . . . . ? O5 C33 C38 C39 1.7(10) . . . . ? C34 C33 C38 C39 179.7(7) . . . . ? C40 N3 C39 O6 -11.6(18) . . . . ? C40' N3 C39 O6 15.5(18) . . . . ? C40 N3 C39 C38 168.6(14) . . . . ? C40' N3 C39 C38 -164.2(15) . . . . ? C37 C38 C39 O6 -1.5(11) . . . . ? C33 C38 C39 O6 179.3(7) . . . . ? C37 C38 C39 N3 178.3(8) . . . . ? C33 C38 C39 N3 -1.0(11) . . . . ? C39 N3 C40 C41 154.4(13) . . . . ? C40' N3 C40 C41 53(2) . . . . ? N3 C40 C41 C42 138(3) . . . . ? N3 C40 C41 C46 -55(3) . . . . ? C46 C41 C42 C43 7(5) . . . . ? C40 C41 C42 C43 175(3) . . . . ? C41 C42 C43 C44 1(4) . . . . ? C42 C43 C44 C45 -8(4) . . . . ? C43 C44 C45 C46 7(4) . . . . ? C44 C45 C46 C41 0(4) . . . . ? C42 C41 C46 C45 -8(4) . . . . ? C40 C41 C46 C45 -176(2) . . . . ? C39 N3 C40' C41' 172.5(12) . . . . ? C40 N3 C40' C41' -95(4) . . . . ? N3 C40' C41' C42' 99(3) . . . . ? N3 C40' C41' C46' -68(3) . . . . ? C46' C41' C42' C43' -7(5) . . . . ? C40' C41' C42' C43' -174(3) . . . . ? C41' C42' C43' C44' 6(5) . . . . ? C42' C43' C44' C45' -5(4) . . . . ? C43' C44' C45' C46' 5(5) . . . . ? C44' C45' C46' C41' -6(5) . . . . ? C42' C41' C46' C45' 7(5) . . . . ? C40' C41' C46' C45' 174(3) . . . . ? C2 C1 C47 C48 -72.6(6) . . . . ? C32 C1 C47 C48 164.6(5) . . . . ? C17 C1 C47 C48 46.3(7) . . . . ? Eu O16 C50 O17 -164.2(8) . . . . ? Eu O16 C50 C49 9.9(17) . . . . ? C51' O17 C50 O16 18.0(13) . . . . ? C51 O17 C50 O16 15.5(12) . . . . ? C51' O17 C50 C49 -157.2(7) . . . . ? C51 O17 C50 C49 -159.7(8) . . . . ? C50 O17 C51 C52 -109.6(17) . . . . ? C51' O17 C51 C52 78.6(12) . . . . ? C50 O17 C51' C52' -62.1(12) . . . . ? C51 O17 C51' C52' -52.9(15) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N3 H3 O5 0.86 1.98 2.653(6) 134.0 . N1 H1 O6 0.86 2.19 2.901(6) 139.2 3_556 N2 H2 O12 0.86 2.28 2.884(7) 127.2 2_546 _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 0.755 _refine_diff_density_min -0.649 _refine_diff_density_rms 0.078 _exptl_crystal_description prismatic _exptl_crystal_colour colourless