# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C # This journal is © The Royal Society of Chemistry 2012 ####################################################################### # # Cambridge Crystallographic Data Centre # CCDC # ####################################################################### # # This CIF contains data from an original supplementary publication # deposited with the CCDC, and may include chemical, crystal, # experimental, refinement, atomic coordinates, # anisotropic displacement parameters and molecular geometry data, # as required by the journal to which it was submitted. # # This CIF is provided on the understanding that it is used for bona # fide research purposes only. It may contain copyright material # of the CCDC or of third parties, and may not be copied or further # disseminated in any form, whether machine-readable or not, # except for the purpose of generating routine backup copies # on your local computer system. # # For further information on the CCDC, data deposition and # data retrieval see: # www.ccdc.cam.ac.uk # # Bona fide researchers may freely download Mercury and enCIFer # from this site to visualise CIF-encoded structures and # to carry out CIF format checking respectively. # ####################################################################### data_p-1 _database_code_depnum_ccdc_archive 'CCDC 807139' #TrackingRef 'P-1.cif' _audit_creation_date 2011-01-05 _audit_creation_method ; Olex2 1.1 (compiled 2010.09.30 svn.r1450, GUI svn.r3284) ; _chemical_name_common ? _chemical_name_systematic ; ? ; _chemical_formula_moiety 'C35 H24 Eu F9 N2 O8 S2 Zn' _chemical_formula_sum 'C35 H24 Eu F9 N2 O8 S2 Zn' _chemical_formula_weight 1053.01 _chemical_melting_point ? 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' F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Zn Zn 0.2839 1.4301 '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' _space_group_crystal_system triclinic _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 'x, y, z' 2 '-x, -y, -z' _cell_length_a 10.581(2) _cell_length_b 11.669(2) _cell_length_c 17.239(3) _cell_angle_alpha 72.23(3) _cell_angle_beta 79.69(3) _cell_angle_gamma 75.14(3) _cell_volume 1947.5(7) _cell_formula_units_Z 2 _cell_measurement_reflns_used ? _cell_measurement_temperature 291(2) _cell_measurement_theta_max ? _cell_measurement_theta_min ? _exptl_absorpt_coefficient_mu 2.414 _exptl_absorpt_correction_T_max 0.7943 _exptl_absorpt_correction_T_min 0.5312 _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details ? _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 1.796 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description ? _exptl_crystal_F_000 1036 _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.10 _exptl_special_details ; ? ; _diffrn_reflns_av_R_equivalents 0.0662 _diffrn_reflns_av_unetI/netI 0.0889 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_number 21958 _diffrn_reflns_theta_full 26.50 _diffrn_reflns_theta_max 26.50 _diffrn_reflns_theta_min 2.24 _diffrn_ambient_temperature 291.0 _diffrn_detector_area_resol_mean ? _diffrn_measured_fraction_theta_full 0.987 _diffrn_measured_fraction_theta_max 0.987 _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_standards_decay_% ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_number ? _reflns_number_gt 5338 _reflns_number_total 7971 _reflns_threshold_expression >2sigma(I) _computing_cell_refinement ? _computing_data_collection ? _computing_data_reduction ? _computing_molecular_graphics ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_publication_material ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'A short history of SHELX (Sheldrick, 2007)/Bruker' _refine_diff_density_max 0.663 _refine_diff_density_min -0.683 _refine_diff_density_rms 0.102 _refine_ls_extinction_coef 0.0003(2) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method SHELXL _refine_ls_goodness_of_fit_ref 1.054 _refine_ls_hydrogen_treatment fixed _refine_ls_matrix_type full _refine_ls_number_parameters 548 _refine_ls_number_reflns 7971 _refine_ls_number_restraints 90 _refine_ls_R_factor_all 0.1055 _refine_ls_R_factor_gt 0.0690 _refine_ls_restrained_S_all 1.059 _refine_ls_shift/su_max 0.004 _refine_ls_shift/su_mean 0.001 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0618P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1371 _refine_ls_wR_factor_ref 0.1558 _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. ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap 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 0.20845(3) 0.89238(2) 0.252932(16) 0.05647(8) Uani 1 1 d . . . Zn1 Zn 0.24290(6) 0.73777(6) 0.44831(4) 0.06549(19) Uani 1 1 d . E . F1 F 0.4668(5) 1.1747(5) 0.2916(4) 0.1093(11) Uani 0.646(5) 1 d PD A 1 F2 F 0.5625(5) 1.1269(5) 0.1843(4) 0.1093(11) Uani 0.646(5) 1 d PD A 1 F3 F 0.4450(6) 1.3080(5) 0.1745(4) 0.1093(11) Uani 0.646(5) 1 d PD A 1 F1' F 0.5123(9) 1.1225(10) 0.2770(6) 0.1093(11) Uani 0.354(5) 1 d PD A 2 F2' F 0.5324(9) 1.1564(10) 0.1477(6) 0.1093(11) Uani 0.354(5) 1 d PD A 2 F3' F 0.4421(11) 1.3072(8) 0.2067(8) 0.1093(11) Uani 0.354(5) 1 d PD A 2 F4 F 0.4815(8) 0.7348(8) 0.0137(5) 0.1375(14) Uani 0.491(5) 1 d PD B 1 F5 F 0.3812(8) 0.5799(7) 0.0502(6) 0.1375(14) Uani 0.491(5) 1 d PD B 1 F6 F 0.5045(8) 0.6064(9) 0.1260(6) 0.1375(14) Uani 0.491(5) 1 d PD B 1 F4' F 0.3973(9) 0.6385(8) 0.0091(5) 0.1375(14) Uani 0.509(5) 1 d PD B 2 F5' F 0.5203(7) 0.7122(8) 0.0488(6) 0.1375(14) Uani 0.509(5) 1 d PD B 2 F6' F 0.4520(8) 0.5700(8) 0.1413(5) 0.1375(14) Uani 0.509(5) 1 d PD B 2 F7 F 0.0486(6) 0.4478(5) 0.4082(4) 0.1245(12) Uani 0.688(4) 1 d PD C 1 F8 F 0.1063(6) 0.4898(5) 0.2813(4) 0.1245(12) Uani 0.688(4) 1 d PD C 1 F9 F 0.2489(6) 0.3853(5) 0.3647(4) 0.1245(12) Uani 0.688(4) 1 d PD C 1 F8' F 0.2215(13) 0.4644(10) 0.2786(6) 0.1245(12) Uani 0.312(4) 1 d PD C 2 F9' F 0.1897(14) 0.3760(9) 0.4063(8) 0.1245(12) Uani 0.312(4) 1 d PD C 2 F7' F 0.0425(10) 0.4808(11) 0.3233(9) 0.1245(12) Uani 0.312(4) 1 d PD C 2 O1 O 0.1001(3) 0.8744(3) 0.3860(2) 0.0645(11) Uani 1 1 d . . . O2 O 0.3650(3) 0.7861(3) 0.3461(2) 0.0671(11) Uani 1 1 d . . . O3 O 0.0801(3) 1.0923(3) 0.2212(2) 0.0669(11) Uani 1 1 d . . . O4 O 0.3454(3) 1.0310(3) 0.2255(2) 0.0733(12) Uani 1 1 d . . . O5 O 0.0608(3) 0.8991(3) 0.1646(2) 0.0649(10) Uani 1 1 d . . . O6 O 0.3295(3) 0.8106(3) 0.1501(2) 0.0727(12) Uani 1 1 d . . . O7 O 0.1657(4) 0.6854(3) 0.2965(2) 0.0706(11) Uani 1 1 d . . . O8 O 0.2069(4) 0.5879(3) 0.4271(2) 0.0727(12) Uani 1 1 d . . . N1 N 0.1391(5) 0.7582(4) 0.5567(3) 0.0812(16) Uani 1 1 d D E . N2 N 0.3904(6) 0.6847(6) 0.5204(3) 0.109(2) Uani 1 1 d DU . . C1 C -0.0260(6) 0.8977(5) 0.4175(4) 0.0701(18) Uani 1 1 d . . . C2 C -0.1225(6) 0.9445(5) 0.3638(5) 0.091(2) Uani 1 1 d . E . H2 H -0.0983 0.9564 0.3078 0.109 Uiso 1 1 calc R . . C3 C -0.2532(7) 0.9732(7) 0.3929(6) 0.127(4) Uani 1 1 d . . . H3 H -0.3167 1.0024 0.3565 0.153 Uiso 1 1 calc R D 1 C4 C -0.2913(7) 0.9591(7) 0.4764(6) 0.130(4) Uani 1 1 d . E 1 H4 H -0.3794 0.9816 0.4955 0.156 Uiso 1 1 calc R E 1 C5 C -0.1988(6) 0.9122(6) 0.5293(5) 0.101(3) Uani 1 1 d . . . H5 H -0.2247 0.9043 0.5849 0.121 Uiso 1 1 calc R E 1 C6 C -0.0672(6) 0.8759(5) 0.5036(4) 0.0740(19) Uani 1 1 d . E . C7 C 0.0232(7) 0.8184(5) 0.5644(4) 0.086(2) Uani 1 1 d . . . H7 H -0.0086 0.8270 0.6167 0.103 Uiso 1 1 calc R E . C8 C 0.2181(8) 0.6963(8) 0.6248(4) 0.132(3) Uani 1 1 d DU . . H8AB H 0.2417 0.7577 0.6435 0.159 Uiso 0.477(10) 1 calc PR E 1 H8AA H 0.1659 0.6502 0.6699 0.159 Uiso 0.477(10) 1 calc PR E 1 H8BD H 0.1818 0.7340 0.6692 0.159 Uiso 0.523(10) 1 calc PR E 2 H8BC H 0.2100 0.6109 0.6443 0.159 Uiso 0.523(10) 1 calc PR E 2 C9 C 0.3340(10) 0.6151(13) 0.6034(6) 0.111(4) Uani 0.477(10) 1 d PDU E 1 H9 H 0.3131 0.5400 0.5996 0.133 Uiso 0.477(10) 1 calc PR E 1 C9' C 0.3544(10) 0.6986(12) 0.6069(5) 0.111(4) Uani 0.523(10) 1 d PDU E 2 H9' H 0.3713 0.7753 0.6107 0.133 Uiso 0.523(10) 1 calc PR E 2 C10 C 0.4302(9) 0.5830(8) 0.6680(5) 0.137(4) Uani 1 1 d D . . H10A H 0.5111 0.5317 0.6518 0.206 Uiso 0.477(10) 1 calc PR E 1 H10B H 0.3920 0.5398 0.7201 0.206 Uiso 0.477(10) 1 calc PR E 1 H10C H 0.4476 0.6574 0.6724 0.206 Uiso 0.477(10) 1 calc PR E 1 H10D H 0.4085 0.5100 0.6643 0.206 Uiso 0.523(10) 1 calc PR E 2 H10F H 0.4055 0.5906 0.7229 0.206 Uiso 0.523(10) 1 calc PR E 2 H10E H 0.5232 0.5775 0.6543 0.206 Uiso 0.523(10) 1 calc PR E 2 C11 C 0.5087(7) 0.6825(7) 0.4927(4) 0.113(3) Uani 1 1 d . E . H11 H 0.5662 0.6628 0.5320 0.135 Uiso 1 1 calc R . . C12 C 0.5687(6) 0.7059(6) 0.4093(4) 0.084(2) Uani 1 1 d . . . C13 C 0.7056(7) 0.6785(7) 0.3969(5) 0.115(3) Uani 1 1 d . E . H13 H 0.7530 0.6518 0.4420 0.138 Uiso 1 1 calc R . . C14 C 0.7709(6) 0.6896(7) 0.3221(5) 0.109(3) Uani 1 1 d . . . H14 H 0.8624 0.6694 0.3160 0.131 Uiso 1 1 calc R E . C15 C 0.7034(6) 0.7310(6) 0.2528(5) 0.102(3) Uani 1 1 d . E . H15 H 0.7488 0.7368 0.2008 0.123 Uiso 1 1 calc R . . C16 C 0.5675(5) 0.7632(5) 0.2630(4) 0.081(2) Uani 1 1 d . . . H16 H 0.5221 0.7929 0.2170 0.097 Uiso 1 1 calc R E . C17 C 0.4969(5) 0.7525(5) 0.3399(4) 0.0646(16) Uani 1 1 d . E . S1 S -0.1569(2) 1.2528(2) 0.16073(15) 0.0755(7) Uani 0.671(3) 1 d PD F 1 C18 C -0.0406(9) 1.4323(8) 0.1350(9) 0.139(6) Uani 0.671(3) 1 d PD F 1 H18 H 0.0218 1.4782 0.1304 0.167 Uiso 0.671(3) 1 calc PR F 1 C19 C -0.1653(8) 1.4782(8) 0.1156(6) 0.105(3) Uani 0.671(3) 1 d PD F 1 H19 H -0.1973 1.5624 0.0955 0.126 Uiso 0.671(3) 1 calc PR F 1 C20 C -0.2418(8) 1.3966(7) 0.1267(5) 0.083(2) Uani 0.671(3) 1 d PD F 1 H20 H -0.3294 1.4177 0.1167 0.100 Uiso 0.671(3) 1 calc PR F 1 C18' C -0.1440(11) 1.2787(13) 0.1490(10) 0.139(6) Uani 0.329(3) 1 d PD F 2 H18A H -0.1703 1.2041 0.1635 0.167 Uiso 0.329(3) 1 calc PR F 2 S1' S -0.0184(5) 1.4472(5) 0.1288(4) 0.0755(7) Uani 0.329(3) 1 d PD F 2 C20' C -0.2123(15) 1.3870(11) 0.1104(9) 0.083(2) Uani 0.329(3) 1 d PD F 2 H20A H -0.2940 1.3914 0.0955 0.100 Uiso 0.329(3) 1 calc PR F 2 C19' C -0.1664(12) 1.4926(14) 0.0918(11) 0.105(3) Uani 0.329(3) 1 d PD F 2 H19A H -0.2074 1.5719 0.0648 0.126 Uiso 0.329(3) 1 calc PR F 2 C21 C -0.0204(5) 1.2966(4) 0.1648(3) 0.0594(15) Uani 1 1 d D . . C22 C 0.0938(5) 1.2015(4) 0.1940(3) 0.0544(14) Uani 1 1 d . F . C23 C 0.2168(5) 1.2335(5) 0.1920(3) 0.0645(16) Uani 1 1 d . . . H23 H 0.2204 1.3162 0.1781 0.077 Uiso 1 1 calc R F . C24 C 0.3276(5) 1.1462(5) 0.2098(3) 0.0606(15) Uani 1 1 d . A . C25 C 0.4517(6) 1.1889(4) 0.2121(4) 0.091(2) Uani 1 1 d D . . C26 C -0.2554(15) 0.9476(13) 0.0425(9) 0.087(2) Uani 0.205(3) 1 d PD G 1 H26 H -0.3388 0.9988 0.0420 0.104 Uiso 0.205(3) 1 calc PR G 1 C27 C -0.2373(13) 0.8506(15) 0.0095(12) 0.092(2) Uani 0.205(3) 1 d PD G 1 H27 H -0.2979 0.8276 -0.0126 0.111 Uiso 0.205(3) 1 calc PR G 1 C28 C -0.1669(14) 0.9768(13) 0.0751(12) 0.063(2) Uani 0.205(3) 1 d PD G 1 H28 H -0.1713 1.0464 0.0919 0.076 Uiso 0.205(3) 1 calc PR G 1 S2 S -0.0778(7) 0.7838(7) 0.0192(5) 0.0806(7) Uani 0.205(3) 1 d PD G 1 S2' S -0.18902(19) 0.97135(18) 0.10315(14) 0.0806(7) Uani 0.795(3) 1 d PD G 2 C27' C -0.2250(7) 0.8684(7) 0.0047(5) 0.092(2) Uani 0.795(3) 1 d PD G 2 H27A H -0.2655 0.8441 -0.0294 0.111 Uiso 0.795(3) 1 calc PR G 2 C26' C -0.2918(6) 0.9502(7) 0.0463(5) 0.087(2) Uani 0.795(3) 1 d PD G 2 H26A H -0.3801 0.9888 0.0442 0.104 Uiso 0.795(3) 1 calc PR G 2 C28' C -0.0987(7) 0.8242(6) 0.0148(4) 0.063(2) Uani 0.795(3) 1 d PD G 2 H28A H -0.0413 0.7724 -0.0139 0.076 Uiso 0.795(3) 1 calc PR G 2 C29 C -0.0611(5) 0.8674(4) 0.0769(3) 0.0574(15) Uani 1 1 d D . . C30 C 0.0628(5) 0.8445(4) 0.1122(3) 0.0566(15) Uani 1 1 d . G . C31 C 0.1772(5) 0.7641(5) 0.0853(3) 0.0688(17) Uani 1 1 d . . . H31 H 0.1693 0.7169 0.0523 0.083 Uiso 1 1 calc R G . C32 C 0.2962(5) 0.7555(5) 0.1068(3) 0.0665(17) Uani 1 1 d . B . C33 C 0.4117(7) 0.6655(7) 0.0760(4) 0.131(4) Uani 1 1 d D . . C34 C 0.1764(5) 0.5983(5) 0.3584(4) 0.0638(16) Uani 1 1 d . C . C35 C 0.1500(5) 0.4815(6) 0.3510(4) 0.096(2) 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 0.05769(15) 0.05345(14) 0.05738(15) -0.01316(11) -0.02125(12) -0.00250(11) Zn1 0.0738(4) 0.0699(4) 0.0538(3) -0.0189(3) -0.0195(3) -0.0063(3) F1 0.0769(15) 0.1067(17) 0.163(3) -0.0553(18) -0.0403(17) -0.0117(13) F2 0.0769(15) 0.1067(17) 0.163(3) -0.0553(18) -0.0403(17) -0.0117(13) F3 0.0769(15) 0.1067(17) 0.163(3) -0.0553(18) -0.0403(17) -0.0117(13) F1' 0.0769(15) 0.1067(17) 0.163(3) -0.0553(18) -0.0403(17) -0.0117(13) F2' 0.0769(15) 0.1067(17) 0.163(3) -0.0553(18) -0.0403(17) -0.0117(13) F3' 0.0769(15) 0.1067(17) 0.163(3) -0.0553(18) -0.0403(17) -0.0117(13) F4 0.088(2) 0.173(3) 0.154(3) -0.087(2) -0.028(2) 0.029(2) F5 0.088(2) 0.173(3) 0.154(3) -0.087(2) -0.028(2) 0.029(2) F6 0.088(2) 0.173(3) 0.154(3) -0.087(2) -0.028(2) 0.029(2) F4' 0.088(2) 0.173(3) 0.154(3) -0.087(2) -0.028(2) 0.029(2) F5' 0.088(2) 0.173(3) 0.154(3) -0.087(2) -0.028(2) 0.029(2) F6' 0.088(2) 0.173(3) 0.154(3) -0.087(2) -0.028(2) 0.029(2) F7 0.144(2) 0.0842(16) 0.165(3) -0.0354(17) -0.062(2) -0.0268(18) F8 0.144(2) 0.0842(16) 0.165(3) -0.0354(17) -0.062(2) -0.0268(18) F9 0.144(2) 0.0842(16) 0.165(3) -0.0354(17) -0.062(2) -0.0268(18) F8' 0.144(2) 0.0842(16) 0.165(3) -0.0354(17) -0.062(2) -0.0268(18) F9' 0.144(2) 0.0842(16) 0.165(3) -0.0354(17) -0.062(2) -0.0268(18) F7' 0.144(2) 0.0842(16) 0.165(3) -0.0354(17) -0.062(2) -0.0268(18) O1 0.063(2) 0.064(2) 0.064(2) -0.0201(17) -0.0148(18) -0.0012(17) O2 0.0555(19) 0.078(2) 0.063(2) -0.0070(18) -0.0293(17) -0.0058(17) O3 0.058(2) 0.0490(19) 0.087(3) -0.0111(18) -0.0225(19) 0.0001(16) O4 0.057(2) 0.0534(19) 0.108(3) -0.0205(19) -0.023(2) -0.0029(16) O5 0.061(2) 0.070(2) 0.066(2) -0.0263(17) -0.0267(17) 0.0046(17) O6 0.059(2) 0.092(2) 0.069(2) -0.0304(19) -0.0172(18) -0.0025(19) O7 0.098(3) 0.0528(19) 0.065(2) -0.0136(16) -0.028(2) -0.0116(18) O8 0.087(2) 0.068(2) 0.063(2) -0.0106(18) -0.025(2) -0.0129(19) N1 0.096(3) 0.085(3) 0.062(3) -0.021(2) -0.017(3) -0.010(3) N2 0.089(4) 0.164(5) 0.067(3) -0.036(3) -0.030(2) 0.004(4) C1 0.072(4) 0.055(3) 0.081(4) -0.023(3) -0.002(3) -0.008(3) C2 0.069(4) 0.077(4) 0.117(5) -0.019(4) -0.013(4) -0.008(3) C3 0.065(4) 0.125(6) 0.170(8) -0.030(6) -0.017(5) 0.007(4) C4 0.059(4) 0.133(6) 0.171(8) -0.031(6) 0.018(5) -0.008(4) C5 0.072(4) 0.100(5) 0.111(5) -0.028(4) 0.025(4) -0.010(4) C6 0.071(4) 0.056(3) 0.089(4) -0.018(3) 0.002(3) -0.013(3) C7 0.103(5) 0.071(4) 0.078(4) -0.024(3) 0.006(4) -0.016(3) C8 0.117(4) 0.196(8) 0.079(4) -0.050(5) -0.021(4) -0.003(5) C9 0.113(5) 0.163(11) 0.059(4) -0.039(5) -0.051(4) 0.006(6) C9' 0.113(5) 0.163(11) 0.059(4) -0.039(5) -0.051(4) 0.006(6) C10 0.163(8) 0.162(7) 0.088(5) -0.027(5) -0.028(5) -0.035(6) C11 0.091(4) 0.170(7) 0.072(4) -0.030(4) -0.041(4) -0.002(5) C12 0.069(3) 0.083(4) 0.098(4) -0.017(3) -0.038(3) -0.001(3) C13 0.072(4) 0.145(6) 0.124(6) -0.032(5) -0.042(4) -0.003(4) C14 0.049(3) 0.113(5) 0.149(7) -0.010(5) -0.036(4) -0.004(3) C15 0.069(4) 0.097(5) 0.114(6) 0.007(4) 0.002(4) -0.025(3) C16 0.051(3) 0.096(4) 0.083(4) 0.000(3) -0.016(3) -0.016(3) C17 0.063(3) 0.055(3) 0.073(4) -0.004(3) -0.022(3) -0.015(2) S1 0.0642(12) 0.0764(12) 0.0877(14) -0.0334(10) -0.0202(11) 0.0033(10) C18 0.075(6) 0.082(7) 0.249(15) -0.024(8) -0.071(8) 0.013(5) C19 0.097(5) 0.057(4) 0.132(8) 0.011(5) -0.040(5) 0.010(4) C20 0.045(4) 0.102(5) 0.096(5) -0.046(4) -0.013(4) 0.020(4) C18' 0.075(6) 0.082(7) 0.249(15) -0.024(8) -0.071(8) 0.013(5) S1' 0.0642(12) 0.0764(12) 0.0877(14) -0.0334(10) -0.0202(11) 0.0033(10) C20' 0.045(4) 0.102(5) 0.096(5) -0.046(4) -0.013(4) 0.020(4) C19' 0.097(5) 0.057(4) 0.132(8) 0.011(5) -0.040(5) 0.010(4) C21 0.062(3) 0.052(3) 0.063(3) -0.017(2) -0.016(3) -0.001(2) C22 0.053(3) 0.058(3) 0.052(3) -0.023(2) -0.014(2) 0.004(2) C23 0.064(3) 0.055(3) 0.081(3) -0.026(2) -0.026(3) -0.004(2) C24 0.054(3) 0.072(3) 0.065(3) -0.027(2) -0.014(2) -0.013(2) C25 0.078(4) 0.064(4) 0.135(6) -0.040(4) -0.032(4) 0.008(3) C26 0.044(4) 0.115(5) 0.107(5) -0.026(4) -0.028(4) -0.018(3) C27 0.092(4) 0.134(5) 0.068(4) -0.024(4) -0.020(3) -0.050(4) C28 0.063(4) 0.067(4) 0.054(4) -0.017(3) 0.000(3) -0.010(3) S2 0.0633(11) 0.0750(12) 0.1051(16) -0.0230(10) -0.0285(10) -0.0063(9) S2' 0.0633(11) 0.0750(12) 0.1051(16) -0.0230(10) -0.0285(10) -0.0063(9) C27' 0.092(4) 0.134(5) 0.068(4) -0.024(4) -0.020(3) -0.050(4) C26' 0.044(4) 0.115(5) 0.107(5) -0.026(4) -0.028(4) -0.018(3) C28' 0.063(4) 0.067(4) 0.054(4) -0.017(3) 0.000(3) -0.010(3) C29 0.049(3) 0.063(3) 0.056(3) -0.009(2) -0.005(2) -0.014(2) C30 0.057(3) 0.054(3) 0.056(3) -0.006(2) -0.009(2) -0.014(2) C31 0.064(3) 0.083(3) 0.060(3) -0.029(3) -0.013(3) 0.001(3) C32 0.057(3) 0.081(3) 0.056(3) -0.023(3) -0.011(3) 0.003(3) C33 0.085(5) 0.212(9) 0.089(5) -0.040(6) -0.017(4) -0.019(6) C34 0.061(3) 0.050(3) 0.082(4) -0.021(3) -0.015(3) -0.007(2) C35 0.091(4) 0.090(5) 0.102(5) -0.008(4) -0.037(4) -0.015(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 Zn1 3.3354(13) . ? Eu1 O1 2.346(4) . ? Eu1 O2 2.354(3) . ? Eu1 O3 2.334(3) . ? Eu1 O4 2.330(4) . ? Eu1 O5 2.341(4) . ? Eu1 O6 2.299(4) . ? Eu1 O7 2.436(3) . ? Eu1 C32 3.258(6) . ? Zn1 O1 2.069(3) . ? Zn1 O2 2.011(4) . ? Zn1 O8 2.029(4) . ? Zn1 N1 2.039(5) . ? Zn1 N2 2.023(6) . ? F1 C25 1.362(8) . ? F2 C25 1.305(7) . ? F3 C25 1.332(7) . ? F1' C25 1.318(10) . ? F2' C25 1.363(10) . ? F3' C25 1.333(9) . ? F4 C33 1.359(9) . ? F5 C33 1.339(10) . ? F6 C33 1.332(9) . ? F4' C33 1.329(10) . ? F5' C33 1.345(9) . ? F6' C33 1.361(9) . ? F7 C35 1.370(7) . ? F8 C35 1.332(8) . ? F9 C35 1.317(7) . ? F8' C35 1.381(11) . ? F9' C35 1.327(10) . ? F7' C35 1.313(11) . ? O1 C1 1.340(6) . ? O2 C17 1.343(6) . ? O3 C22 1.252(6) . ? O4 C24 1.258(6) . ? O5 C30 1.249(6) . ? O6 C32 1.264(7) . ? O7 C34 1.227(6) . ? O8 C34 1.246(7) . ? N1 C7 1.253(7) . ? N1 C8 1.457(8) . ? N2 C9 1.515(11) . ? N2 C9' 1.518(10) . ? N2 C11 1.254(8) . ? C1 C2 1.394(9) . ? C1 C6 1.433(8) . ? C2 H2 0.9300 . ? C2 C3 1.376(9) . ? C3 H3 0.9300 . ? C3 C4 1.394(12) . ? C4 H4 0.9300 . ? C4 C5 1.353(11) . ? C5 H5 0.9300 . ? C5 C6 1.381(8) . ? C6 C7 1.437(9) . ? C7 H7 0.9300 . ? C8 H8AB 0.9700 . ? C8 H8AA 0.9700 . ? C8 H8BD 0.9700 . ? C8 H8BC 0.9700 . ? C8 C9 1.412(12) . ? C8 C9' 1.425(13) . ? C9 H9 0.9800 . ? C9 C10 1.541(12) . ? C9' H9' 0.9800 . ? C9' C10 1.567(12) . ? C10 H10A 0.9600 . ? C10 H10B 0.9600 . ? C10 H10C 0.9600 . ? C10 H10D 0.9600 . ? C10 H10F 0.9600 . ? C10 H10E 0.9600 . ? C11 H11 0.9300 . ? C11 C12 1.438(9) . ? C12 C13 1.393(9) . ? C12 C17 1.423(8) . ? C13 H13 0.9300 . ? C13 C14 1.335(10) . ? C14 H14 0.9300 . ? C14 C15 1.394(10) . ? C15 H15 0.9300 . ? C15 C16 1.383(8) . ? C16 H16 0.9300 . ? C16 C17 1.386(8) . ? S1 C20 1.668(7) . ? S1 C21 1.670(5) . ? C18 H18 0.9300 . ? C18 C19 1.352(11) . ? C18 C21 1.479(9) . ? C19 H19 0.9300 . ? C19 C20 1.351(11) . ? C20 H20 0.9300 . ? C18' H18A 0.9300 . ? C18' C20' 1.324(13) . ? C18' C21 1.460(13) . ? S1' C19' 1.693(12) . ? S1' C21 1.681(7) . ? C20' H20A 0.9300 . ? C20' C19' 1.366(16) . ? C19' H19A 0.9300 . ? C21 C22 1.461(6) . ? C22 C23 1.436(7) . ? C23 H23 0.9300 . ? C23 C24 1.354(7) . ? C24 C25 1.529(8) . ? C26 H26 0.9300 . ? C26 C27 1.372(17) . ? C26 C28 1.333(16) . ? C27 H27 0.9300 . ? C27 S2 1.682(13) . ? C28 H28 0.9300 . ? C28 C29 1.463(12) . ? S2 C29 1.647(10) . ? S2' C26' 1.694(7) . ? S2' C29 1.668(5) . ? C27' H27A 0.9300 . ? C27' C26' 1.347(10) . ? C27' C28' 1.325(9) . ? C26' H26A 0.9300 . ? C28' H28A 0.9300 . ? C28' C29 1.465(8) . ? C29 C30 1.472(7) . ? C30 C31 1.429(7) . ? C31 H31 0.9300 . ? C31 C32 1.347(8) . ? C32 C33 1.526(9) . ? C34 C35 1.506(9) . ? 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 Zn1 O1 Eu1 97.93(13) . . ? Zn1 O2 Eu1 99.35(13) . . ? F1 C25 F2' 134.4(7) . . ? F1 C25 C24 109.0(5) . . ? F2 C25 F1 104.1(6) . . ? F2 C25 F3 108.0(6) . . ? F2 C25 F1' 74.1(6) . . ? F2 C25 F2' 30.7(5) . . ? F2 C25 F3' 118.5(8) . . ? F2 C25 C24 116.2(5) . . ? F3 C25 F1 105.8(6) . . ? F3 C25 F2' 91.1(6) . . ? F3 C25 F3' 23.7(7) . . ? F3 C25 C24 113.0(5) . . ? F1' C25 F1 32.5(5) . . ? F1' C25 F3 127.4(8) . . ? F1' C25 F2' 104.7(7) . . ? F1' C25 F3' 107.5(9) . . ? F1' C25 C24 111.9(6) . . ? F2' C25 C24 102.2(7) . . ? F3' C25 F1 82.3(7) . . ? F3' C25 F2' 110.8(8) . . ? F3' C25 C24 118.8(7) . . ? F4 C33 F6' 130.8(7) . . ? F4 C33 C32 106.5(6) . . ? F5 C33 F4 109.3(8) . . ? F5 C33 F5' 125.3(8) . . ? F5 C33 F6' 84.8(8) . . ? F5 C33 C32 116.3(6) . . ? F6 C33 F4 100.2(7) . . ? F6 C33 F5 106.4(8) . . ? F6 C33 F5' 69.8(6) . . ? F6 C33 F6' 32.2(6) . . ? F6 C33 C32 116.9(7) . . ? F4' C33 F4 74.6(7) . . ? F4' C33 F5 37.1(6) . . ? F4' C33 F6 126.2(8) . . ? F4' C33 F5' 99.3(8) . . ? F4' C33 F6' 117.6(9) . . ? F4' C33 C32 115.8(6) . . ? F5' C33 F4 31.5(6) . . ? F5' C33 F6' 101.7(7) . . ? F5' C33 C32 112.8(7) . . ? F6' C33 C32 108.4(6) . . ? F7 C35 F8' 143.5(9) . . ? F7 C35 C34 109.7(6) . . ? F8 C35 F7 102.1(6) . . ? F8 C35 F8' 51.3(6) . . ? F8 C35 C34 115.7(5) . . ? F9 C35 F7 105.2(5) . . ? F9 C35 F8 108.0(6) . . ? F9 C35 F8' 68.7(6) . . ? F9 C35 F9' 38.1(7) . . ? F9 C35 C34 114.8(6) . . ? F8' C35 C34 105.1(7) . . ? F9' C35 F7 68.2(7) . . ? F9' C35 F8 124.2(9) . . ? F9' C35 F8' 103.9(9) . . ? F9' C35 C34 119.2(8) . . ? F7' C35 F7 63.1(7) . . ? F7' C35 F8 39.7(7) . . ? F7' C35 F9 123.0(9) . . ? F7' C35 F8' 89.5(9) . . ? F7' C35 F9' 110.8(10) . . ? F7' C35 C34 121.6(7) . . ? O1 Eu1 Zn1 37.90(8) . . ? O1 Eu1 O2 72.09(12) . . ? O1 Eu1 O7 75.78(13) . . ? O1 Eu1 C32 143.48(14) . . ? O1 Zn1 Eu1 44.17(10) . . ? O1 C1 C2 118.3(5) . . ? O1 C1 C6 123.6(5) . . ? O2 Eu1 Zn1 36.51(9) . . ? O2 Eu1 O7 77.98(13) . . ? O2 Eu1 C32 103.64(13) . . ? O2 Zn1 Eu1 44.14(9) . . ? O2 Zn1 O1 85.35(13) . . ? O2 Zn1 O8 97.83(16) . . ? O2 Zn1 N1 153.98(19) . . ? O2 Zn1 N2 92.27(18) . . ? O2 C17 C12 122.8(5) . . ? O2 C17 C16 119.4(5) . . ? O3 Eu1 Zn1 119.67(10) . . ? O3 Eu1 O1 85.57(12) . . ? O3 Eu1 O2 133.74(14) . . ? O3 Eu1 O5 72.98(13) . . ? O3 Eu1 O7 135.59(13) . . ? O3 Eu1 C32 117.44(14) . . ? O3 C22 C21 117.9(5) . . ? O3 C22 C23 121.6(4) . . ? O4 Eu1 Zn1 102.91(10) . . ? O4 Eu1 O1 109.06(14) . . ? O4 Eu1 O2 78.34(13) . . ? O4 Eu1 O3 71.41(12) . . ? O4 Eu1 O5 124.15(13) . . ? O4 Eu1 O7 152.83(12) . . ? O4 Eu1 C32 105.27(15) . . ? O4 C24 C23 129.2(5) . . ? O4 C24 C25 113.0(4) . . ? O5 Eu1 Zn1 132.05(9) . . ? O5 Eu1 O1 109.48(12) . . ? O5 Eu1 O2 152.40(13) . . ? O5 Eu1 O7 75.92(12) . . ? O5 Eu1 C32 57.91(13) . . ? O5 C30 C29 116.5(4) . . ? O5 C30 C31 123.7(5) . . ? O6 Eu1 Zn1 119.82(9) . . ? O6 Eu1 O1 152.53(12) . . ? O6 Eu1 O2 93.27(13) . . ? O6 Eu1 O3 120.14(13) . . ? O6 Eu1 O4 89.76(14) . . ? O6 Eu1 O5 72.93(13) . . ? O6 Eu1 O7 78.51(13) . . ? O6 Eu1 C32 17.30(14) . . ? O6 C32 Eu1 32.8(2) . . ? O6 C32 C31 130.1(5) . . ? O6 C32 C33 112.8(5) . . ? O7 Eu1 Zn1 63.82(9) . . ? O7 Eu1 C32 67.97(13) . . ? O7 C34 O8 131.6(5) . . ? O7 C34 C35 115.3(5) . . ? O8 Zn1 Eu1 89.57(10) . . ? O8 Zn1 O1 100.01(15) . . ? O8 Zn1 N1 108.18(19) . . ? O8 C34 C35 113.0(5) . . ? N1 Zn1 Eu1 133.35(13) . . ? N1 Zn1 O1 89.63(17) . . ? N1 C7 C6 128.9(6) . . ? N1 C7 H7 115.5 . . ? N1 C8 H8AB 109.1 . . ? N1 C8 H8AA 109.1 . . ? N1 C8 H8BD 108.4 . . ? N1 C8 H8BC 108.4 . . ? N2 Zn1 Eu1 135.26(16) . . ? N2 Zn1 O1 150.2(2) . . ? N2 Zn1 O8 109.7(2) . . ? N2 Zn1 N1 79.6(2) . . ? N2 C9 H9 110.3 . . ? N2 C9 C10 111.0(8) . . ? N2 C9' H9' 111.7 . . ? N2 C9' C10 109.5(8) . . ? N2 C11 H11 115.1 . . ? N2 C11 C12 129.8(7) . . ? C1 O1 Eu1 134.6(3) . . ? C1 O1 Zn1 122.7(3) . . ? C1 C2 H2 119.7 . . ? C1 C6 C7 122.6(5) . . ? C2 C1 C6 118.2(6) . . ? C2 C3 H3 119.7 . . ? C2 C3 C4 120.7(8) . . ? C3 C2 C1 120.6(7) . . ? C3 C2 H2 119.7 . . ? C3 C4 H4 120.3 . . ? C4 C3 H3 119.7 . . ? C4 C5 H5 118.9 . . ? C4 C5 C6 122.1(7) . . ? C5 C4 C3 119.4(7) . . ? C5 C4 H4 120.3 . . ? C5 C6 C1 118.8(6) . . ? C5 C6 C7 118.6(6) . . ? C6 C5 H5 118.9 . . ? C6 C7 H7 115.5 . . ? C7 N1 Zn1 125.0(5) . . ? C7 N1 C8 123.7(6) . . ? C8 N1 Zn1 111.3(4) . . ? C8 C9 N2 105.4(8) . . ? C8 C9 H9 110.3 . . ? C8 C9 C10 109.4(9) . . ? C8 C9' N2 104.6(8) . . ? C8 C9' H9' 111.7 . . ? C8 C9' C10 107.3(8) . . ? H8AB C8 H8AA 107.8 . . ? H8AB C8 H8BD 46.6 . . ? H8AB C8 H8BC 140.0 . . ? H8AA C8 H8BD 64.1 . . ? H8AA C8 H8BC 45.5 . . ? H8BD C8 H8BC 107.4 . . ? C9 N2 Zn1 105.3(5) . . ? C9 N2 C9' 41.4(8) . . ? C9 C8 N1 112.6(7) . . ? C9 C8 H8AB 109.1 . . ? C9 C8 H8AA 109.1 . . ? C9 C8 H8BD 138.0 . . ? C9 C8 H8BC 67.9 . . ? C9 C8 C9' 44.4(8) . . ? C9 C10 C9' 40.3(8) . . ? C9 C10 H10A 109.5 . . ? C9 C10 H10B 109.5 . . ? C9 C10 H10C 109.5 . . ? C9 C10 H10D 69.1 . . ? C9 C10 H10F 124.8 . . ? C9 C10 H10E 123.2 . . ? C9' N2 Zn1 117.0(5) . . ? C9' C8 N1 115.6(6) . . ? C9' C8 H8AB 66.5 . . ? C9' C8 H8AA 134.3 . . ? C9' C8 H8BD 108.4 . . ? C9' C8 H8BC 108.4 . . ? C9' C10 H10A 123.2 . . ? C9' C10 H10B 124.8 . . ? C9' C10 H10C 69.1 . . ? C9' C10 H10D 109.5 . . ? C9' C10 H10F 109.5 . . ? C9' C10 H10E 109.5 . . ? C10 C9 H9 110.3 . . ? C10 C9' H9' 111.7 . . ? H10A C10 H10B 109.5 . . ? H10A C10 H10C 109.5 . . ? H10A C10 H10D 73.3 . . ? H10A C10 H10F 123.2 . . ? H10A C10 H10E 36.2 . . ? H10B C10 H10C 109.5 . . ? H10B C10 H10D 69.2 . . ? H10B C10 H10F 40.3 . . ? H10B C10 H10E 123.2 . . ? H10C C10 H10D 177.3 . . ? H10C C10 H10F 69.2 . . ? H10C C10 H10E 73.3 . . ? H10D C10 H10F 109.5 . . ? H10D C10 H10E 109.5 . . ? H10F C10 H10E 109.5 . . ? C11 N2 Zn1 123.3(5) . . ? C11 N2 C9 128.7(6) . . ? C11 N2 C9' 115.1(7) . . ? C12 C11 H11 115.1 . . ? C12 C13 H13 119.0 . . ? C13 C12 C11 117.2(6) . . ? C13 C12 C17 118.8(6) . . ? C13 C14 H14 119.6 . . ? C13 C14 C15 120.7(6) . . ? C14 C13 C12 121.9(7) . . ? C14 C13 H13 119.0 . . ? C14 C15 H15 120.7 . . ? C15 C14 H14 119.6 . . ? C15 C16 H16 119.0 . . ? C15 C16 C17 122.0(6) . . ? C16 C15 C14 118.7(7) . . ? C16 C15 H15 120.7 . . ? C16 C17 C12 117.8(5) . . ? C17 O2 Eu1 134.9(3) . . ? C17 O2 Zn1 125.5(3) . . ? C17 C12 C11 123.9(6) . . ? C17 C16 H16 119.0 . . ? S1 C20 H20 124.7 . . ? S1 C21 S1' 118.1(3) . . ? C18 C19 H19 121.4 . . ? C18 C21 S1 109.9(5) . . ? C18 C21 S1' 8.7(4) . . ? C19 C18 H18 125.9 . . ? C19 C18 C21 108.2(8) . . ? C19 C20 S1 110.5(6) . . ? C19 C20 H20 124.7 . . ? C20 S1 C21 94.0(4) . . ? C20 C19 C18 117.3(8) . . ? C20 C19 H19 121.4 . . ? C18' C20' H20A 119.0 . . ? C18' C20' C19' 122.0(15) . . ? C18' C21 S1 10.4(6) . . ? C18' C21 C18 100.6(7) . . ? C18' C21 S1' 108.5(6) . . ? C18' C21 C22 127.4(6) . . ? S1' C19' H19A 127.6 . . ? C20' C18' H18A 125.9 . . ? C20' C18' C21 108.2(12) . . ? C20' C19' S1' 104.8(11) . . ? C20' C19' H19A 127.6 . . ? C19' C20' H20A 119.0 . . ? C21 C18 H18 125.9 . . ? C21 C18' H18A 125.9 . . ? C21 S1' C19' 96.5(6) . . ? C22 O3 Eu1 139.6(3) . . ? C22 C21 S1 118.4(4) . . ? C22 C21 C18 131.7(6) . . ? C22 C21 S1' 123.4(4) . . ? C22 C23 H23 119.2 . . ? C23 C22 C21 120.5(4) . . ? C23 C24 C25 117.8(5) . . ? C24 O4 Eu1 134.9(3) . . ? C24 C23 C22 121.6(5) . . ? C24 C23 H23 119.2 . . ? C26 C27 H27 128.9 . . ? C26 C27 S2 102.3(12) . . ? C26 C28 H28 130.2 . . ? C26 C28 C29 99.6(12) . . ? C27 C26 H26 116.3 . . ? C28 C26 H26 116.3 . . ? C28 C26 C27 127.4(14) . . ? C28 C29 S2 113.8(9) . . ? C28 C29 S2' 16.4(8) . . ? C28 C29 C28' 99.3(9) . . ? C28 C29 C30 124.3(8) . . ? S2 C27 H27 128.8 . . ? S2 C29 S2' 120.3(4) . . ? S2' C26' H26A 125.5 . . ? C27' C26' S2' 109.1(5) . . ? C27' C26' H26A 125.5 . . ? C27' C28' H28A 124.4 . . ? C27' C28' C29 111.2(6) . . ? C26' C27' H27A 121.6 . . ? C28' C27' H27A 121.6 . . ? C28' C27' C26' 116.8(8) . . ? C28' C29 S2 15.4(4) . . ? C28' C29 S2' 107.8(4) . . ? C28' C29 C30 133.4(5) . . ? C29 C28 H28 130.2 . . ? C29 S2 C27 94.4(8) . . ? C29 S2' C26' 94.6(3) . . ? C29 C28' H28A 124.4 . . ? C30 O5 Eu1 135.1(3) . . ? C30 C29 S2 120.9(4) . . ? C30 C29 S2' 118.6(4) . . ? C30 C31 H31 119.4 . . ? C31 C30 C29 119.7(5) . . ? C31 C32 Eu1 99.9(4) . . ? C31 C32 C33 117.0(6) . . ? C32 Eu1 Zn1 121.65(9) . . ? C32 O6 Eu1 129.9(3) . . ? C32 C31 C30 121.1(6) . . ? C32 C31 H31 119.4 . . ? C33 C32 Eu1 140.3(4) . . ? C34 O7 Eu1 136.3(4) . . ? C34 O8 Zn1 118.2(3) . . ? 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 Eu1 Zn1 O1 C1 158.9(5) . . . . ? Eu1 Zn1 O2 C17 -175.4(5) . . . . ? Eu1 Zn1 O8 C34 -4.8(4) . . . . ? Eu1 Zn1 N1 C7 18.8(7) . . . . ? Eu1 Zn1 N1 C8 -159.7(4) . . . . ? Eu1 Zn1 N2 C9 -179.2(6) . . . . ? Eu1 Zn1 N2 C9' 138.0(6) . . . . ? Eu1 Zn1 N2 C11 -16.7(8) . . . . ? Eu1 O1 C1 C2 -0.5(8) . . . . ? Eu1 O1 C1 C6 178.8(4) . . . . ? Eu1 O2 C17 C12 169.0(4) . . . . ? Eu1 O2 C17 C16 -10.9(8) . . . . ? Eu1 O3 C22 C21 164.3(4) . . . . ? Eu1 O3 C22 C23 -16.5(8) . . . . ? Eu1 O4 C24 C23 -10.5(9) . . . . ? Eu1 O4 C24 C25 169.3(4) . . . . ? Eu1 O5 C30 C29 172.8(3) . . . . ? Eu1 O5 C30 C31 -7.8(8) . . . . ? Eu1 O6 C32 C31 26.8(8) . . . . ? Eu1 O6 C32 C33 -152.8(4) . . . . ? Eu1 O7 C34 O8 5.9(10) . . . . ? Eu1 O7 C34 C35 -173.3(3) . . . . ? Eu1 C32 C33 F4 -98.9(7) . . . . ? Eu1 C32 C33 F5 139.1(6) . . . . ? Eu1 C32 C33 F6 12.0(11) . . . . ? Eu1 C32 C33 F4' -179.5(6) . . . . ? Eu1 C32 C33 F5' -66.0(9) . . . . ? Eu1 C32 C33 F6' 45.8(10) . . . . ? Zn1 Eu1 O1 C1 -154.8(5) . . . . ? Zn1 Eu1 O2 C17 174.7(6) . . . . ? Zn1 Eu1 O3 C22 104.2(5) . . . . ? Zn1 Eu1 O4 C24 -113.0(5) . . . . ? Zn1 Eu1 O5 C30 -94.8(4) . . . . ? Zn1 Eu1 O6 C32 101.2(4) . . . . ? Zn1 Eu1 O7 C34 -6.7(5) . . . . ? Zn1 Eu1 C32 O6 -89.2(4) . . . . ? Zn1 Eu1 C32 C31 111.3(3) . . . . ? Zn1 Eu1 C32 C33 -47.8(6) . . . . ? Zn1 O1 C1 C2 -150.5(4) . . . . ? Zn1 O1 C1 C6 28.9(7) . . . . ? Zn1 O2 C17 C12 -17.4(8) . . . . ? Zn1 O2 C17 C16 162.7(4) . . . . ? Zn1 O8 C34 O7 1.8(8) . . . . ? Zn1 O8 C34 C35 -179.0(3) . . . . ? Zn1 N1 C7 C6 6.4(10) . . . . ? Zn1 N1 C8 C9 -13.5(10) . . . . ? Zn1 N1 C8 C9' 35.3(10) . . . . ? Zn1 N2 C9 C8 -54.4(10) . . . . ? Zn1 N2 C9 C10 -172.8(7) . . . . ? Zn1 N2 C9' C8 24.4(10) . . . . ? Zn1 N2 C9' C10 139.1(7) . . . . ? Zn1 N2 C11 C12 -4.9(13) . . . . ? O1 Eu1 Zn1 O2 -153.4(2) . . . . ? O1 Eu1 Zn1 O8 104.90(19) . . . . ? O1 Eu1 Zn1 N1 -10.1(3) . . . . ? O1 Eu1 Zn1 N2 -136.9(3) . . . . ? O1 Eu1 O2 Zn1 16.82(14) . . . . ? O1 Eu1 O2 C17 -168.5(5) . . . . ? O1 Eu1 O3 C22 121.4(5) . . . . ? O1 Eu1 O4 C24 -74.0(5) . . . . ? O1 Eu1 O5 C30 -130.9(4) . . . . ? O1 Eu1 O6 C32 71.5(5) . . . . ? O1 Eu1 O7 C34 -45.2(5) . . . . ? O1 Eu1 C32 O6 -132.7(4) . . . . ? O1 Eu1 C32 C31 67.8(4) . . . . ? O1 Eu1 C32 C33 -91.3(7) . . . . ? O1 Zn1 O2 Eu1 -18.26(15) . . . . ? O1 Zn1 O2 C17 166.3(4) . . . . ? O1 Zn1 O8 C34 38.3(4) . . . . ? O1 Zn1 N1 C7 11.8(6) . . . . ? O1 Zn1 N1 C8 -166.7(5) . . . . ? O1 Zn1 N2 C9 107.6(7) . . . . ? O1 Zn1 N2 C9' 64.8(8) . . . . ? O1 Zn1 N2 C11 -89.9(8) . . . . ? O1 C1 C2 C3 -178.2(6) . . . . ? O1 C1 C6 C5 174.9(6) . . . . ? O1 C1 C6 C7 -4.7(9) . . . . ? O2 Eu1 Zn1 O1 153.4(2) . . . . ? O2 Eu1 Zn1 O8 -101.73(19) . . . . ? O2 Eu1 Zn1 N1 143.3(3) . . . . ? O2 Eu1 Zn1 N2 16.5(3) . . . . ? O2 Eu1 O1 Zn1 -16.28(13) . . . . ? O2 Eu1 O1 C1 -171.1(5) . . . . ? O2 Eu1 O3 C22 61.5(6) . . . . ? O2 Eu1 O4 C24 -140.2(5) . . . . ? O2 Eu1 O5 C30 -42.5(6) . . . . ? O2 Eu1 O6 C32 127.6(4) . . . . ? O2 Eu1 O7 C34 29.1(5) . . . . ? O2 Eu1 C32 O6 -54.4(4) . . . . ? O2 Eu1 C32 C31 146.0(3) . . . . ? O2 Eu1 C32 C33 -13.1(6) . . . . ? O2 Zn1 O1 Eu1 18.25(15) . . . . ? O2 Zn1 O1 C1 177.2(4) . . . . ? O2 Zn1 O8 C34 -48.3(4) . . . . ? O2 Zn1 N1 C7 90.4(7) . . . . ? O2 Zn1 N1 C8 -88.1(6) . . . . ? O2 Zn1 N2 C9 -167.8(6) . . . . ? O2 Zn1 N2 C9' 149.4(7) . . . . ? O2 Zn1 N2 C11 -5.3(7) . . . . ? O3 Eu1 Zn1 O1 28.77(19) . . . . ? O3 Eu1 Zn1 O2 -124.60(19) . . . . ? O3 Eu1 Zn1 O8 133.67(15) . . . . ? O3 Eu1 Zn1 N1 18.7(2) . . . . ? O3 Eu1 Zn1 N2 -108.1(3) . . . . ? O3 Eu1 O1 Zn1 -155.20(16) . . . . ? O3 Eu1 O1 C1 50.0(5) . . . . ? O3 Eu1 O2 Zn1 81.9(2) . . . . ? O3 Eu1 O2 C17 -103.4(5) . . . . ? O3 Eu1 O4 C24 4.3(5) . . . . ? O3 Eu1 O5 C30 150.3(5) . . . . ? O3 Eu1 O6 C32 -85.8(4) . . . . ? O3 Eu1 O7 C34 -113.3(5) . . . . ? O3 Eu1 C32 O6 103.6(4) . . . . ? O3 Eu1 C32 C31 -55.9(4) . . . . ? O3 Eu1 C32 C33 145.0(6) . . . . ? O3 C22 C23 C24 8.4(8) . . . . ? O4 Eu1 Zn1 O1 104.53(17) . . . . ? O4 Eu1 Zn1 O2 -48.84(18) . . . . ? O4 Eu1 Zn1 O8 -150.57(14) . . . . ? O4 Eu1 Zn1 N1 94.5(2) . . . . ? O4 Eu1 Zn1 N2 -32.4(3) . . . . ? O4 Eu1 O1 Zn1 -86.62(15) . . . . ? O4 Eu1 O1 C1 118.6(5) . . . . ? O4 Eu1 O2 Zn1 131.47(18) . . . . ? O4 Eu1 O2 C17 -53.8(5) . . . . ? O4 Eu1 O3 C22 9.6(5) . . . . ? O4 Eu1 O5 C30 97.9(5) . . . . ? O4 Eu1 O6 C32 -154.1(4) . . . . ? O4 Eu1 O7 C34 59.0(6) . . . . ? O4 Eu1 C32 O6 27.0(4) . . . . ? O4 Eu1 C32 C31 -132.6(3) . . . . ? O4 Eu1 C32 C33 68.3(6) . . . . ? O4 C24 C25 F1 -80.1(6) . . . . ? O4 C24 C25 F2 37.0(7) . . . . ? O4 C24 C25 F3 162.6(5) . . . . ? O4 C24 C25 F1' -45.5(8) . . . . ? O4 C24 C25 F2' 66.1(7) . . . . ? O4 C24 C25 F3' -171.7(8) . . . . ? O5 Eu1 Zn1 O1 -64.69(19) . . . . ? O5 Eu1 Zn1 O2 141.9(2) . . . . ? O5 Eu1 Zn1 O8 40.21(16) . . . . ? O5 Eu1 Zn1 N1 -74.8(2) . . . . ? O5 Eu1 Zn1 N2 158.4(3) . . . . ? O5 Eu1 O1 Zn1 134.60(14) . . . . ? O5 Eu1 O1 C1 -20.2(5) . . . . ? O5 Eu1 O2 Zn1 -81.1(3) . . . . ? O5 Eu1 O2 C17 93.6(5) . . . . ? O5 Eu1 O3 C22 -126.7(6) . . . . ? O5 Eu1 O4 C24 57.3(6) . . . . ? O5 Eu1 O6 C32 -28.0(4) . . . . ? O5 Eu1 O7 C34 -159.9(5) . . . . ? O5 Eu1 C32 O6 148.0(5) . . . . ? O5 Eu1 C32 C31 -11.5(3) . . . . ? O5 Eu1 C32 C33 -170.6(7) . . . . ? O5 C30 C31 C32 -9.4(8) . . . . ? O6 Eu1 Zn1 O1 -158.21(19) . . . . ? O6 Eu1 Zn1 O2 48.4(2) . . . . ? O6 Eu1 Zn1 O8 -53.31(16) . . . . ? O6 Eu1 Zn1 N1 -168.3(2) . . . . ? O6 Eu1 Zn1 N2 64.9(3) . . . . ? O6 Eu1 O1 Zn1 44.3(3) . . . . ? O6 Eu1 O1 C1 -110.5(5) . . . . ? O6 Eu1 O2 Zn1 -139.45(16) . . . . ? O6 Eu1 O2 C17 35.3(5) . . . . ? O6 Eu1 O3 C22 -68.8(6) . . . . ? O6 Eu1 O4 C24 126.4(5) . . . . ? O6 Eu1 O5 C30 20.2(4) . . . . ? O6 Eu1 O7 C34 125.0(5) . . . . ? O6 Eu1 C32 C31 -159.5(7) . . . . ? O6 Eu1 C32 C33 41.4(6) . . . . ? O6 C32 C33 F4 -76.1(7) . . . . ? O6 C32 C33 F5 161.9(6) . . . . ? O6 C32 C33 F6 34.9(9) . . . . ? O6 C32 C33 F4' -156.6(7) . . . . ? O6 C32 C33 F5' -43.2(8) . . . . ? O6 C32 C33 F6' 68.6(8) . . . . ? O7 Eu1 Zn1 O1 -100.72(18) . . . . ? O7 Eu1 Zn1 O2 105.91(19) . . . . ? O7 Eu1 Zn1 O8 4.17(14) . . . . ? O7 Eu1 Zn1 N1 -110.8(2) . . . . ? O7 Eu1 Zn1 N2 122.4(3) . . . . ? O7 Eu1 O1 Zn1 65.45(14) . . . . ? O7 Eu1 O1 C1 -89.4(5) . . . . ? O7 Eu1 O2 Zn1 -61.93(15) . . . . ? O7 Eu1 O2 C17 112.8(5) . . . . ? O7 Eu1 O3 C22 -174.1(5) . . . . ? O7 Eu1 O4 C24 -170.0(4) . . . . ? O7 Eu1 O5 C30 -61.8(4) . . . . ? O7 Eu1 O6 C32 50.6(4) . . . . ? O7 Eu1 C32 O6 -125.2(4) . . . . ? O7 Eu1 C32 C31 75.2(4) . . . . ? O7 Eu1 C32 C33 -83.9(6) . . . . ? O7 C34 C35 F7 -121.0(6) . . . . ? O7 C34 C35 F8 -6.1(8) . . . . ? O7 C34 C35 F9 120.9(6) . . . . ? O7 C34 C35 F8' 47.8(8) . . . . ? O7 C34 C35 F9' 163.6(8) . . . . ? O7 C34 C35 F7' -51.1(10) . . . . ? O8 Zn1 O1 Eu1 -78.90(16) . . . . ? O8 Zn1 O1 C1 80.0(4) . . . . ? O8 Zn1 O2 Eu1 81.22(16) . . . . ? O8 Zn1 O2 C17 -94.2(4) . . . . ? O8 Zn1 N1 C7 -88.6(6) . . . . ? O8 Zn1 N1 C8 92.9(5) . . . . ? O8 Zn1 N2 C9 -68.6(7) . . . . ? O8 Zn1 N2 C9' -111.4(7) . . . . ? O8 Zn1 N2 C11 93.9(7) . . . . ? O8 C34 C35 F7 59.7(6) . . . . ? O8 C34 C35 F8 174.6(5) . . . . ? O8 C34 C35 F9 -58.4(7) . . . . ? O8 C34 C35 F8' -131.5(7) . . . . ? O8 C34 C35 F9' -15.7(10) . . . . ? O8 C34 C35 F7' 129.5(9) . . . . ? N1 Zn1 O1 Eu1 172.70(18) . . . . ? N1 Zn1 O1 C1 -28.4(4) . . . . ? N1 Zn1 O2 Eu1 -97.8(4) . . . . ? N1 Zn1 O2 C17 86.8(6) . . . . ? N1 Zn1 O8 C34 131.3(4) . . . . ? N1 Zn1 N2 C9 37.1(6) . . . . ? N1 Zn1 N2 C9' -5.7(7) . . . . ? N1 Zn1 N2 C11 -160.4(7) . . . . ? N1 C8 C9 N2 44.1(11) . . . . ? N1 C8 C9 C10 163.5(8) . . . . ? N1 C8 C9' N2 -37.5(11) . . . . ? N1 C8 C9' C10 -153.7(7) . . . . ? N2 Zn1 O1 Eu1 104.7(4) . . . . ? N2 Zn1 O1 C1 -96.4(5) . . . . ? N2 Zn1 O2 Eu1 -168.5(2) . . . . ? N2 Zn1 O2 C17 16.1(5) . . . . ? N2 Zn1 O8 C34 -143.6(4) . . . . ? N2 Zn1 N1 C7 163.9(6) . . . . ? N2 Zn1 N1 C8 -14.6(5) . . . . ? N2 C9 C10 C9' 58.1(10) . . . . ? N2 C9' C10 C9 -57.0(9) . . . . ? N2 C11 C12 C13 -170.4(9) . . . . ? N2 C11 C12 C17 8.3(14) . . . . ? C1 C2 C3 C4 1.6(12) . . . . ? C1 C6 C7 N1 -15.5(11) . . . . ? C2 C1 C6 C5 -5.8(9) . . . . ? C2 C1 C6 C7 174.7(6) . . . . ? C2 C3 C4 C5 -2.5(13) . . . . ? C3 C4 C5 C6 -1.0(12) . . . . ? C4 C5 C6 C1 5.1(10) . . . . ? C4 C5 C6 C7 -175.3(7) . . . . ? C5 C6 C7 N1 164.9(7) . . . . ? C6 C1 C2 C3 2.5(9) . . . . ? C7 N1 C8 C9 168.0(9) . . . . ? C7 N1 C8 C9' -143.2(9) . . . . ? C8 N1 C7 C6 -175.2(7) . . . . ? C8 C9 C10 C9' -57.9(9) . . . . ? C8 C9' C10 C9 55.9(9) . . . . ? C9 N2 C9' C8 -58.1(8) . . . . ? C9 N2 C9' C10 56.6(9) . . . . ? C9 N2 C11 C12 153.3(10) . . . . ? C9 C8 C9' N2 59.4(9) . . . . ? C9 C8 C9' C10 -56.8(8) . . . . ? C9' N2 C9 C8 59.4(9) . . . . ? C9' N2 C9 C10 -59.0(9) . . . . ? C9' N2 C11 C12 -160.0(9) . . . . ? C9' C8 C9 N2 -60.0(9) . . . . ? C9' C8 C9 C10 59.5(9) . . . . ? C11 N2 C9 C8 144.4(9) . . . . ? C11 N2 C9 C10 26.0(15) . . . . ? C11 N2 C9' C8 -178.9(8) . . . . ? C11 N2 C9' C10 -64.2(11) . . . . ? C11 C12 C13 C14 175.8(8) . . . . ? C11 C12 C17 O2 4.2(10) . . . . ? C11 C12 C17 C16 -176.0(7) . . . . ? C12 C13 C14 C15 0.9(13) . . . . ? C13 C12 C17 O2 -177.1(6) . . . . ? C13 C12 C17 C16 2.7(9) . . . . ? C13 C14 C15 C16 1.5(12) . . . . ? C14 C15 C16 C17 -1.7(10) . . . . ? C15 C16 C17 O2 179.4(6) . . . . ? C15 C16 C17 C12 -0.4(9) . . . . ? C17 C12 C13 C14 -3.0(12) . . . . ? S1 C21 C22 O3 -6.1(7) . . . . ? S1 C21 C22 C23 174.6(4) . . . . ? C18 C19 C20 S1 -1.6(12) . . . . ? C18 C21 C22 O3 175.1(9) . . . . ? C18 C21 C22 C23 -4.1(11) . . . . ? C19 C18 C21 S1 1.5(11) . . . . ? C19 C18 C21 C18' 6.4(12) . . . . ? C19 C18 C21 S1' 162(5) . . . . ? C19 C18 C21 C22 -179.7(7) . . . . ? C20 S1 C21 C18 -2.0(8) . . . . ? C20 S1 C21 C18' -30(4) . . . . ? C20 S1 C21 S1' -5.4(5) . . . . ? C20 S1 C21 C22 179.0(5) . . . . ? C18' C20' C19' S1' -0.3(15) . . . . ? C18' C21 C22 O3 -12.5(11) . . . . ? C18' C21 C22 C23 168.3(9) . . . . ? S1' C21 C22 O3 178.5(5) . . . . ? S1' C21 C22 C23 -0.8(8) . . . . ? C20' C18' C21 S1 158(5) . . . . ? C20' C18' C21 C18 4.8(13) . . . . ? C20' C18' C21 S1' 0.9(13) . . . . ? C20' C18' C21 C22 -169.5(8) . . . . ? C19' S1' C21 S1 -5.6(8) . . . . ? C19' S1' C21 C18 -27(4) . . . . ? C19' S1' C21 C18' -1.0(11) . . . . ? C19' S1' C21 C22 169.8(8) . . . . ? C21 S1 C20 C19 2.1(7) . . . . ? C21 C18 C19 C20 0.1(14) . . . . ? C21 C18' C20' C19' -0.4(15) . . . . ? C21 S1' C19' C20' 0.8(11) . . . . ? C21 C22 C23 C24 -172.4(5) . . . . ? C22 C23 C24 O4 4.1(9) . . . . ? C22 C23 C24 C25 -175.7(5) . . . . ? C23 C24 C25 F1 99.7(6) . . . . ? C23 C24 C25 F2 -143.2(6) . . . . ? C23 C24 C25 F3 -17.5(8) . . . . ? C23 C24 C25 F1' 134.4(7) . . . . ? C23 C24 C25 F2' -114.1(7) . . . . ? C23 C24 C25 F3' 8.1(10) . . . . ? C26 C27 S2 C29 9.6(11) . . . . ? C26 C28 C29 S2 15.6(14) . . . . ? C26 C28 C29 S2' -101(3) . . . . ? C26 C28 C29 C28' 21.2(12) . . . . ? C26 C28 C29 C30 -176.4(8) . . . . ? C27 C26 C28 C29 -8.9(18) . . . . ? C27 S2 C29 C28 -15.9(12) . . . . ? C27 S2 C29 S2' 1.0(8) . . . . ? C27 S2 C29 C28' -37.0(16) . . . . ? C27 S2 C29 C30 175.6(7) . . . . ? C28 C26 C27 S2 -1.3(17) . . . . ? C28 C29 C30 O5 23.1(11) . . . . ? C28 C29 C30 C31 -156.4(10) . . . . ? S2 C29 C30 O5 -169.7(5) . . . . ? S2 C29 C30 C31 10.8(7) . . . . ? S2' C29 C30 O5 5.0(6) . . . . ? S2' C29 C30 C31 -174.4(4) . . . . ? C27' C28' C29 C28 -21.6(9) . . . . ? C27' C28' C29 S2 139.0(19) . . . . ? C27' C28' C29 S2' -7.2(6) . . . . ? C27' C28' C29 C30 178.4(5) . . . . ? C26' S2' C29 C28 66(3) . . . . ? C26' S2' C29 S2 -4.1(5) . . . . ? C26' S2' C29 C28' 5.7(5) . . . . ? C26' S2' C29 C30 -178.9(4) . . . . ? C26' C27' C28' C29 5.3(8) . . . . ? C28' C27' C26' S2' -0.9(8) . . . . ? C28' C29 C30 O5 178.9(5) . . . . ? C28' C29 C30 C31 -0.5(8) . . . . ? C29 S2' C26' C27' -3.1(6) . . . . ? C29 C30 C31 C32 169.9(5) . . . . ? C30 C31 C32 Eu1 13.9(6) . . . . ? C30 C31 C32 O6 -0.5(9) . . . . ? C30 C31 C32 C33 179.0(5) . . . . ? C31 C32 C33 F4 104.3(7) . . . . ? C31 C32 C33 F5 -17.7(9) . . . . ? C31 C32 C33 F6 -144.7(7) . . . . ? C31 C32 C33 F4' 23.8(9) . . . . ? C31 C32 C33 F5' 137.2(7) . . . . ? C31 C32 C33 F6' -111.0(7) . . . . ? C32 Eu1 Zn1 O1 -138.2(2) . . . . ? C32 Eu1 Zn1 O2 68.5(2) . . . . ? C32 Eu1 Zn1 O8 -33.27(16) . . . . ? C32 Eu1 Zn1 N1 -148.2(2) . . . . ? C32 Eu1 Zn1 N2 84.9(3) . . . . ? C32 Eu1 O1 Zn1 72.6(3) . . . . ? C32 Eu1 O1 C1 -82.2(5) . . . . ? C32 Eu1 O2 Zn1 -125.43(16) . . . . ? C32 Eu1 O2 C17 49.3(5) . . . . ? C32 Eu1 O3 C22 -88.4(6) . . . . ? C32 Eu1 O4 C24 118.6(5) . . . . ? C32 Eu1 O5 C30 10.8(4) . . . . ? C32 Eu1 O7 C34 139.4(5) . . . . ?