# 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 'M L P Reddy' _publ_contact_author_email MLPREDDY55@GMAIL.COM _publ_contact_author_address ; Chemical Sciences and Technology Division National Institute for Interdisciplinary Science & Technology (NIIST) Thiruvananthapuram-695 019, India ; _publ_section_title ; 4,4,5,5,5-Pentafluoro-1-(9H-fluoren-2-yl)-1,3-pentanedione complex of Eu3+ with 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene oxide as a promising light-conversion molecular device ; loop_ _publ_author_name 'M L P Reddy' 'Silvanose Biju' 'D. B. Ambili Raj' # Attachment 'eudpepo.cif' data_eudpepo _database_code_depnum_ccdc_archive 'CCDC 722364' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C93 H64 Eu F15 O10 P2' _chemical_formula_weight 1840.34 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' 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' P P 0.1023 0.0942 '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 triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 15.1515(4) _cell_length_b 16.0282(4) _cell_length_c 17.9664(5) _cell_angle_alpha 82.9260(10) _cell_angle_beta 74.1250(10) _cell_angle_gamma 83.8700(10) _cell_volume 4152.58(19) _cell_formula_units_Z 2 _cell_measurement_temperature 257(2) _cell_measurement_reflns_used 8891 _cell_measurement_theta_min 2.1 _cell_measurement_theta_max 20.5 _exptl_crystal_description block _exptl_crystal_colour brown _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.472 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1860 _exptl_absorpt_coefficient_mu 0.887 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.8122 _exptl_absorpt_correction_T_max 0.8754 _exptl_absorpt_process_details 'SADABS(Bruker, 1999)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 257(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker axs kappa apex2 CCD diffractometer' _diffrn_measurement_method '\w and \f scan' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% 0 _diffrn_reflns_number 52601 _diffrn_reflns_av_R_equivalents 0.0351 _diffrn_reflns_av_sigmaI/netI 0.0245 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.18 _diffrn_reflns_theta_max 20.97 _reflns_number_total 8841 _reflns_number_gt 7451 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 (Bruker, 2004)' _computing_cell_refinement 'APEX2/SAINT (Bruker, 2004)' _computing_data_reduction 'SAINT/XPREP (Bruker, 2004)' _computing_structure_solution 'SIR92 (Altornare et al., 1993)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.1409P)^2^+9.2375P] 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 SHELXL _refine_ls_extinction_coef 0.0073(8) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 8841 _refine_ls_number_parameters 1083 _refine_ls_number_restraints 124 _refine_ls_R_factor_all 0.0848 _refine_ls_R_factor_gt 0.0679 _refine_ls_wR_factor_ref 0.2131 _refine_ls_wR_factor_gt 0.1844 _refine_ls_goodness_of_fit_ref 1.102 _refine_ls_restrained_S_all 1.121 _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 C3 C 0.3802(12) 0.1748(9) 0.1045(7) 0.138(6) Uani 1 1 d D . . C4 C 0.4517(13) 0.1521(11) 0.1403(10) 0.149(7) Uani 1 1 d . A . H4 H 0.4914 0.1054 0.1245 0.178 Uiso 1 1 calc R . . C5 C 0.4679(10) 0.1958(10) 0.1992(8) 0.116(4) Uani 1 1 d . . . C6 C 0.5473(10) 0.1687(11) 0.2367(11) 0.139(6) Uani 1 1 d . A . C7 C 0.6259(14) 0.1279(14) 0.2038(12) 0.201(11) Uani 1 1 d . . . H7 H 0.6369 0.1101 0.1545 0.241 Uiso 1 1 calc R A . C8 C 0.6947(12) 0.1118(17) 0.2475(14) 0.201(10) Uani 1 1 d . A . H8 H 0.7485 0.0790 0.2275 0.241 Uiso 1 1 calc R . . C9 C 0.6822(12) 0.1447(11) 0.3196(10) 0.148(6) Uani 1 1 d D . . C10 C 0.6023(12) 0.1831(11) 0.3544(9) 0.144(5) Uani 1 1 d D A . C11 C 0.5319(11) 0.1923(13) 0.3098(12) 0.163(8) Uani 1 1 d . . . H11 H 0.4735 0.2156 0.3333 0.196 Uiso 1 1 calc R A . C12 C 0.6001(12) 0.2052(15) 0.4337(10) 0.183(8) Uani 1 1 d D . . H12A H 0.5912 0.2657 0.4361 0.219 Uiso 1 1 calc R A . H12B H 0.5510 0.1787 0.4732 0.219 Uiso 1 1 calc R . . C13 C 0.6921(12) 0.1718(14) 0.4449(13) 0.166(7) Uani 1 1 d D A . C14 C 0.7432(12) 0.1365(12) 0.3741(12) 0.155(6) Uani 1 1 d D A . C15 C 0.8313(15) 0.101(2) 0.3655(17) 0.245(14) Uani 1 1 d . . . H15 H 0.8649 0.0773 0.3206 0.294 Uiso 1 1 calc R A . C16 C 0.8659(18) 0.103(2) 0.426(2) 0.227(13) Uani 1 1 d . A . H16 H 0.9269 0.0832 0.4219 0.272 Uiso 1 1 calc R . . C17 C 0.818(2) 0.1325(18) 0.4931(17) 0.198(10) Uani 1 1 d . . . H17 H 0.8462 0.1303 0.5332 0.238 Uiso 1 1 calc R A . C18 C 0.7254(17) 0.1668(15) 0.5057(13) 0.182(9) Uani 1 1 d . A . H18 H 0.6911 0.1844 0.5532 0.219 Uiso 1 1 calc R . . C19 C 0.0996(15) 0.0110(11) 0.3126(11) 0.235(13) Uani 1 1 d D . . C20 C 0.2017(14) 0.0185(8) 0.2911(9) 0.180(9) Uani 1 1 d D . . C21 C 0.2273(14) 0.1024(9) 0.3091(10) 0.152(7) Uani 1 1 d D . . C22 C 0.2520(13) 0.0992(12) 0.3729(11) 0.191(9) Uani 1 1 d . . . H22 H 0.2449 0.0492 0.4055 0.230 Uiso 1 1 calc RD . . C23 C 0.2912(5) 0.1693(4) 0.3988(3) 0.122(5) Uani 1 1 d . . . C24 C 0.3265(5) 0.1549(4) 0.4664(3) 0.131(5) Uani 1 1 d R . . C25 C 0.3445(5) 0.0721(4) 0.4953(3) 0.246(14) Uani 1 1 d R . . H25 H 0.3290 0.0278 0.4738 0.295 Uiso 1 1 calc RD . . C26 C 0.3858(5) 0.0558(4) 0.5563(3) 0.283(17) Uani 1 1 d R . . H26 H 0.3979 0.0004 0.5756 0.339 Uiso 1 1 calc R . . C27 C 0.4091(5) 0.1221(4) 0.5885(3) 0.129(5) Uani 1 1 d RD . . C28 C 0.3910(5) 0.2048(4) 0.5596(3) 0.188(8) Uani 1 1 d RD . . C29 C 0.3498(5) 0.2212(4) 0.4986(3) 0.174(8) Uani 1 1 d R . . H29 H 0.3377 0.2766 0.4793 0.208 Uiso 1 1 calc R . . C30 C 0.4129(3) 0.2699(4) 0.6040(3) 0.334(19) Uiso 1 1 d D . . H30A H 0.3583 0.2978 0.6360 0.401 Uiso 1 1 calc R . . H30B H 0.4520 0.3112 0.5706 0.401 Uiso 1 1 calc R . . C31 C 0.4665(3) 0.2042(4) 0.6536(3) 0.259(16) Uani 1 1 d RD . . C32 C 0.5115(3) 0.2272(4) 0.7049(3) 0.35(3) Uani 1 1 d R . . H32 H 0.5167 0.2839 0.7080 0.424 Uiso 1 1 calc R . . C33 C 0.5488(3) 0.1656(4) 0.7515(3) 0.263(17) Uani 1 1 d R . . H33 H 0.5789 0.1810 0.7859 0.316 Uiso 1 1 calc R . . C34 C 0.5410(3) 0.0809(4) 0.7469(3) 0.193(10) Uani 1 1 d R . . H34 H 0.5660 0.0396 0.7781 0.231 Uiso 1 1 calc R . . C35 C 0.4960(3) 0.0578(4) 0.6956(3) 0.191(9) Uani 1 1 d R . . H35 H 0.4909 0.0011 0.6924 0.229 Uiso 1 1 calc R . . C36 C 0.4588(3) 0.1195(4) 0.6490(3) 0.159(7) Uani 1 1 d RD . . C37 C 0.0231(3) 0.2789(4) 0.4989(3) 0.149(7) Uani 1 1 d RD . . C38 C -0.0045(3) 0.3446(4) 0.4403(3) 0.124(5) Uani 1 1 d RD . . C39 C 0.0477(3) 0.3321(4) 0.3563(3) 0.095(3) Uani 1 1 d RD . . C40 C -0.0001(3) 0.3088(4) 0.3082(3) 0.091(3) Uani 1 1 d R . . H40 H -0.0627 0.3017 0.3275 0.109 Uiso 1 1 calc R . . C41 C 0.0441(7) 0.2952(7) 0.2300(6) 0.084(3) Uani 1 1 d . . . C42 C -0.0119(8) 0.2702(7) 0.1815(7) 0.089(3) Uani 1 1 d . . . C43 C -0.1040(9) 0.2920(9) 0.1919(8) 0.118(4) Uani 1 1 d . . . H43 H -0.1352 0.3244 0.2319 0.142 Uiso 1 1 calc R . . C44 C -0.1496(13) 0.2677(13) 0.1458(11) 0.148(7) Uani 1 1 d . . . H44 H -0.2121 0.2841 0.1553 0.178 Uiso 1 1 calc R . . C45 C -0.1135(14) 0.2237(12) 0.0900(10) 0.134(6) Uani 1 1 d D . . C46 C -0.0215(14) 0.1984(9) 0.0775(8) 0.131(5) Uani 1 1 d D . . C47 C 0.0341(9) 0.2229(9) 0.1222(8) 0.109(4) Uani 1 1 d . . . H47 H 0.0970 0.2079 0.1119 0.131 Uiso 1 1 calc R . . C48 C 0.0139(13) 0.1477(13) 0.0100(11) 0.181(8) Uani 1 1 d D . . H48A H 0.0431 0.0934 0.0243 0.217 Uiso 1 1 calc R . . H48B H 0.0564 0.1775 -0.0329 0.217 Uiso 1 1 calc R . . C49 C -0.0764(17) 0.1389(17) -0.0083(14) 0.178(9) Uani 1 1 d D . . C50 C -0.1471(17) 0.1808(13) 0.0350(11) 0.143(7) Uani 1 1 d D . . C51 C -0.2375(17) 0.1931(12) 0.0317(11) 0.163(7) Uani 1 1 d . . . H51 H -0.2809 0.2285 0.0630 0.196 Uiso 1 1 calc R . . C52 C -0.261(2) 0.144(2) -0.0277(18) 0.224(16) Uani 1 1 d . . . H52 H -0.3188 0.1453 -0.0365 0.269 Uiso 1 1 calc R . . C53 C -0.182(2) 0.0955(16) -0.0673(14) 0.182(10) Uani 1 1 d . . . H53 H -0.1890 0.0603 -0.1023 0.219 Uiso 1 1 calc R . . C54 C -0.1003(19) 0.0966(14) -0.0585(13) 0.193(9) Uani 1 1 d . . . H54 H -0.0534 0.0647 -0.0903 0.232 Uiso 1 1 calc R . . C55 C 0.1916(7) 0.4530(7) 0.0195(5) 0.076(3) Uani 1 1 d . . . C56 C 0.1393(8) 0.5056(11) -0.0226(7) 0.116(4) Uani 1 1 d . . . H56 H 0.1251 0.5617 -0.0124 0.140 Uiso 1 1 calc R . . C57 C 0.1080(10) 0.4761(16) -0.0796(9) 0.140(6) Uani 1 1 d . . . H57 H 0.0734 0.5116 -0.1077 0.167 Uiso 1 1 calc R . . C58 C 0.1288(15) 0.3964(16) -0.0925(10) 0.153(8) Uani 1 1 d . . . H58 H 0.1083 0.3767 -0.1309 0.184 Uiso 1 1 calc R . . C59 C 0.1785(16) 0.3410(13) -0.0528(10) 0.171(8) Uani 1 1 d . . . H59 H 0.1903 0.2848 -0.0627 0.205 Uiso 1 1 calc R . . C60 C 0.2112(11) 0.3723(9) 0.0038(7) 0.124(5) Uani 1 1 d . . . H60 H 0.2470 0.3365 0.0306 0.149 Uiso 1 1 calc R . . C61 C 0.1511(6) 0.5557(6) 0.1475(5) 0.071(2) Uani 1 1 d . . . C62 C 0.1277(7) 0.6361(8) 0.1208(7) 0.096(3) Uani 1 1 d . . . H62 H 0.1576 0.6569 0.0705 0.115 Uiso 1 1 calc R . . C63 C 0.0619(9) 0.6866(9) 0.1656(10) 0.113(4) Uani 1 1 d . . . H63 H 0.0465 0.7408 0.1455 0.136 Uiso 1 1 calc R . . C64 C 0.0191(11) 0.6587(12) 0.2384(10) 0.137(5) Uani 1 1 d . . . H64 H -0.0250 0.6938 0.2692 0.165 Uiso 1 1 calc R . . C65 C 0.0405(10) 0.5771(11) 0.2679(8) 0.132(5) Uani 1 1 d . . . H65 H 0.0109 0.5573 0.3185 0.159 Uiso 1 1 calc R . . C66 C 0.1047(8) 0.5270(8) 0.2226(6) 0.096(3) Uani 1 1 d . . . H66 H 0.1181 0.4720 0.2420 0.116 Uiso 1 1 calc R . . C67 C 0.3313(6) 0.5484(6) 0.0393(5) 0.066(2) Uani 1 1 d . . . C68 C 0.3592(7) 0.5631(7) -0.0409(5) 0.080(3) Uani 1 1 d . . . H68 H 0.3244 0.5448 -0.0702 0.096 Uiso 1 1 calc R . . C69 C 0.4356(8) 0.6033(7) -0.0780(6) 0.094(3) Uani 1 1 d . . . H69 H 0.4520 0.6129 -0.1319 0.113 Uiso 1 1 calc R . . C70 C 0.4884(8) 0.6297(8) -0.0368(7) 0.099(3) Uani 1 1 d . . . H70 H 0.5418 0.6559 -0.0626 0.118 Uiso 1 1 calc R . . C71 C 0.4630(7) 0.6176(7) 0.0437(7) 0.093(3) Uani 1 1 d . . . H71 H 0.4980 0.6371 0.0723 0.112 Uiso 1 1 calc R . . C72 C 0.3861(6) 0.5768(6) 0.0805(5) 0.071(2) Uani 1 1 d . . . C73 C 0.3229(6) 0.6165(7) 0.2087(5) 0.073(3) Uani 1 1 d . . . C74 C 0.2957(8) 0.6964(8) 0.1842(7) 0.093(3) Uani 1 1 d . . . H74 H 0.3075 0.7131 0.1312 0.111 Uiso 1 1 calc R . . C75 C 0.2507(9) 0.7531(9) 0.2367(8) 0.113(4) Uani 1 1 d . . . H75 H 0.2318 0.8076 0.2199 0.135 Uiso 1 1 calc R . . C76 C 0.2346(9) 0.7257(10) 0.3162(8) 0.116(4) Uani 1 1 d . . . H76 H 0.2033 0.7625 0.3526 0.139 Uiso 1 1 calc R . . C77 C 0.2638(8) 0.6463(8) 0.3417(7) 0.091(3) Uani 1 1 d . . . H77 H 0.2533 0.6297 0.3947 0.109 Uiso 1 1 calc R . . C78 C 0.3099(6) 0.5899(6) 0.2870(6) 0.074(3) Uani 1 1 d . . . C79 C 0.4747(7) 0.4827(8) 0.2860(5) 0.079(3) Uani 1 1 d . . . C80 C 0.5227(8) 0.5510(9) 0.2535(8) 0.108(4) Uani 1 1 d . . . H80 H 0.4924 0.6036 0.2455 0.130 Uiso 1 1 calc R . . C81 C 0.6208(10) 0.5402(15) 0.2320(9) 0.141(6) Uani 1 1 d . . . H81 H 0.6550 0.5862 0.2100 0.169 Uiso 1 1 calc R . . C82 C 0.6641(10) 0.4639(16) 0.2435(9) 0.134(7) Uani 1 1 d . . . H82 H 0.7280 0.4573 0.2282 0.161 Uiso 1 1 calc R . . C83 C 0.6173(12) 0.3985(12) 0.2759(8) 0.126(5) Uani 1 1 d . . . H83 H 0.6473 0.3459 0.2847 0.151 Uiso 1 1 calc R . . C84 C 0.5229(9) 0.4096(10) 0.2965(7) 0.108(4) Uani 1 1 d . . . H84 H 0.4903 0.3629 0.3194 0.129 Uiso 1 1 calc R . . C85 C 0.3212(8) 0.4783(7) 0.4219(6) 0.085(3) Uani 1 1 d . . . C86 C 0.3743(9) 0.5091(9) 0.4614(7) 0.109(4) Uani 1 1 d . . . H86 H 0.4294 0.5318 0.4342 0.131 Uiso 1 1 calc R . . C87 C 0.3467(13) 0.5066(12) 0.5405(8) 0.141(6) Uani 1 1 d . . . H87 H 0.3820 0.5280 0.5676 0.170 Uiso 1 1 calc R . . C88 C 0.2662(14) 0.4720(12) 0.5790(8) 0.144(6) Uani 1 1 d . . . H88 H 0.2470 0.4709 0.6329 0.172 Uiso 1 1 calc R . . C89 C 0.2125(12) 0.4388(13) 0.5414(8) 0.154(7) Uani 1 1 d . . . H89 H 0.1589 0.4139 0.5690 0.185 Uiso 1 1 calc R . . C90 C 0.2411(10) 0.4438(9) 0.4597(6) 0.114(4) Uani 1 1 d . . . H90 H 0.2056 0.4236 0.4320 0.137 Uiso 1 1 calc R . . O1 O 0.3223(6) 0.2371(5) 0.1195(4) 0.096(2) Uani 1 1 d . A . O2 O 0.4193(5) 0.2568(6) 0.2217(5) 0.097(2) Uani 1 1 d . A . O3 O 0.2203(6) 0.1651(5) 0.2651(4) 0.105(2) Uani 1 1 d . A . O4 O 0.2909(6) 0.2393(5) 0.3643(4) 0.101(2) Uani 1 1 d . A . O5 O 0.1320(5) 0.3456(5) 0.3407(4) 0.0851(19) Uani 1 1 d . A . O6 O 0.1276(5) 0.3015(5) 0.2000(4) 0.0845(18) Uani 1 1 d . A . O7 O 0.2676(4) 0.4148(4) 0.1401(3) 0.0682(15) Uani 1 1 d . A . O8 O 0.3137(4) 0.4178(4) 0.2891(3) 0.0760(17) Uani 1 1 d . A . O9 O 0.3633(4) 0.5568(4) 0.1606(3) 0.0748(17) Uani 1 1 d . . . C1 C 0.4028(12) 0.1483(11) -0.0308(10) 0.31(4) Uani 0.606(18) 1 d PD A 1 C2 C 0.3461(12) 0.1216(9) 0.0522(10) 0.175(16) Uani 0.606(18) 1 d PD A 1 F1 F 0.4958(10) 0.1465(15) -0.0402(12) 0.170(7) Uani 0.606(18) 1 d PDU A 1 F2 F 0.3718(15) 0.2292(11) -0.0496(15) 0.191(10) Uani 0.606(18) 1 d PDU A 1 F3 F 0.3883(13) 0.0986(12) -0.0822(12) 0.189(8) Uani 0.606(18) 1 d PDU A 1 F4 F 0.2617(11) 0.1373(11) 0.0357(11) 0.132(6) Uani 0.606(18) 1 d PDU A 1 F5 F 0.3586(15) 0.0348(10) 0.0656(13) 0.162(7) Uani 0.606(18) 1 d PDU A 1 C1' C 0.3564(12) 0.0820(13) 0.0296(11) 0.088(9) Uani 0.393(18) 1 d PDU A 2 C2' C 0.4172(14) 0.1546(13) 0.0199(8) 0.108(11) Uani 0.393(18) 1 d PDU A 2 F1' F 0.3652(17) 0.0507(18) -0.0386(11) 0.162(10) Uani 0.393(18) 1 d PDU A 2 F2' F 0.2671(13) 0.1014(16) 0.0650(14) 0.125(8) Uani 0.393(18) 1 d PDU A 2 F3' F 0.3963(19) 0.0266(18) 0.0762(14) 0.152(11) Uani 0.393(18) 1 d PDU A 2 F4' F 0.4039(16) 0.2131(13) -0.0381(13) 0.110(7) Uani 0.393(18) 1 d PDU A 2 F5' F 0.4988(14) 0.1083(15) -0.0054(16) 0.138(9) Uani 0.393(18) 1 d PDU A 2 F6 F 0.0868(11) -0.0587(9) 0.2841(11) 0.273(8) Uani 1 1 d D . . F7 F 0.0784(11) 0.0154(11) 0.3895(9) 0.240(7) Uani 1 1 d D . . F8 F 0.0686(12) 0.0747(9) 0.2690(14) 0.295(11) Uani 1 1 d D . . F9 F 0.2351(9) -0.0507(7) 0.3275(9) 0.212(5) Uani 1 1 d D . . F10 F 0.2385(11) 0.0086(8) 0.2148(8) 0.228(6) Uani 1 1 d D . . F11 F 0.1094(6) 0.2821(9) 0.5025(5) 0.186(4) Uani 1 1 d D . . F12 F -0.0297(8) 0.2874(13) 0.5709(5) 0.268(8) Uani 1 1 d D . . F13 F 0.0157(10) 0.2014(6) 0.4836(7) 0.219(6) Uani 1 1 d D . . F14 F -0.0961(4) 0.3445(8) 0.4526(5) 0.175(4) Uani 1 1 d D . . F15 F 0.0118(6) 0.4201(6) 0.4587(5) 0.176(4) Uani 1 1 d D . . P1 P 0.23707(16) 0.48680(16) 0.09142(13) 0.0667(7) Uani 1 1 d . . . P2 P 0.35141(17) 0.48618(17) 0.31686(13) 0.0727(7) Uani 1 1 d . . . Eu1 Eu 0.26336(3) 0.30399(3) 0.24165(2) 0.0675(3) Uani 1 1 d . . . C91 C 0.8671(18) 0.8769(16) 0.2804(15) 0.224(10) Uiso 1 1 d D . . H91A H 0.8829 0.9338 0.2773 0.336 Uiso 1 1 calc R . . H91B H 0.9221 0.8395 0.2723 0.336 Uiso 1 1 calc R . . H91C H 0.8272 0.8619 0.3308 0.336 Uiso 1 1 calc R . . C92 C 0.820(6) 0.870(2) 0.220(3) 0.57(5) Uiso 1 1 d D . . C93 C 0.7852(17) 0.7862(16) 0.2253(14) 0.220(10) Uiso 1 1 d D . . H93A H 0.7520 0.7864 0.1868 0.330 Uiso 1 1 calc R . . H93B H 0.7449 0.7736 0.2761 0.330 Uiso 1 1 calc R . . H93C H 0.8360 0.7442 0.2163 0.330 Uiso 1 1 calc R . . O10 O 0.804(3) 0.915(2) 0.165(2) 0.46(2) Uiso 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 C3 0.205(16) 0.099(10) 0.096(9) -0.053(8) -0.024(10) 0.052(11) C4 0.164(15) 0.128(13) 0.113(12) 0.002(10) 0.000(11) 0.057(11) C5 0.110(10) 0.123(11) 0.087(9) 0.011(8) 0.002(8) 0.011(9) C6 0.101(11) 0.156(13) 0.125(12) 0.037(11) -0.005(10) 0.025(9) C7 0.123(14) 0.25(2) 0.163(16) 0.053(15) 0.023(13) 0.055(15) C8 0.097(12) 0.30(3) 0.19(2) -0.066(19) -0.001(13) 0.043(15) C9 0.149(15) 0.144(13) 0.116(12) 0.004(10) -0.003(11) 0.040(11) C10 0.124(13) 0.156(14) 0.138(14) -0.020(11) -0.012(11) -0.002(11) C11 0.088(9) 0.24(2) 0.149(15) 0.059(15) -0.038(11) -0.011(11) C12 0.155(16) 0.26(2) 0.149(16) -0.039(16) -0.065(13) 0.020(16) C13 0.151(16) 0.21(2) 0.136(15) -0.017(14) -0.042(14) 0.019(14) C14 0.114(12) 0.163(15) 0.177(18) 0.035(14) -0.044(13) -0.011(10) C15 0.115(15) 0.40(4) 0.22(3) 0.03(3) -0.073(16) -0.023(19) C16 0.142(19) 0.34(4) 0.21(3) 0.02(3) -0.08(2) -0.04(2) C17 0.21(3) 0.22(2) 0.18(2) 0.04(2) -0.09(2) -0.05(2) C18 0.19(2) 0.22(2) 0.164(18) -0.046(15) -0.100(16) 0.047(17) C19 0.23(3) 0.25(4) 0.26(4) -0.01(3) -0.12(3) -0.08(3) C20 0.31(3) 0.114(14) 0.155(17) 0.041(12) -0.12(2) -0.085(16) C21 0.230(19) 0.096(11) 0.116(12) 0.034(10) -0.029(12) -0.048(11) C22 0.32(3) 0.121(14) 0.130(15) 0.057(12) -0.062(17) -0.060(15) C23 0.129(11) 0.160(15) 0.069(8) 0.012(9) -0.023(7) -0.017(10) C24 0.135(11) 0.172(15) 0.082(9) 0.022(9) -0.036(8) -0.008(10) C25 0.42(4) 0.20(2) 0.155(17) 0.011(15) -0.19(2) 0.06(2) C26 0.44(5) 0.17(2) 0.27(3) -0.07(2) -0.14(3) 0.03(3) C27 0.150(12) 0.111(11) 0.117(11) 0.016(9) -0.033(9) -0.002(9) C28 0.21(2) 0.167(18) 0.22(2) -0.041(16) -0.077(18) -0.073(16) C29 0.205(18) 0.21(2) 0.154(15) 0.028(13) -0.123(15) -0.063(15) C31 0.33(4) 0.140(17) 0.38(4) -0.01(2) -0.24(3) 0.01(2) C32 0.53(6) 0.19(3) 0.51(6) -0.06(3) -0.39(6) -0.05(3) C33 0.33(4) 0.26(3) 0.29(3) 0.07(3) -0.23(3) -0.11(3) C34 0.140(15) 0.26(3) 0.167(18) 0.066(19) -0.065(13) -0.016(16) C35 0.26(3) 0.18(2) 0.144(16) -0.034(14) -0.068(17) -0.017(18) C36 0.119(12) 0.25(2) 0.102(11) 0.015(12) -0.023(9) -0.042(13) C37 0.120(12) 0.25(2) 0.077(10) -0.017(12) -0.002(9) -0.062(13) C38 0.090(9) 0.176(14) 0.101(10) -0.059(10) 0.014(7) -0.037(9) C39 0.083(8) 0.115(9) 0.088(8) -0.035(6) -0.011(6) -0.010(6) C40 0.072(6) 0.112(8) 0.091(8) -0.019(6) -0.016(6) -0.018(6) C41 0.075(7) 0.091(7) 0.092(8) -0.020(6) -0.023(6) -0.016(5) C42 0.091(8) 0.098(8) 0.086(7) -0.013(6) -0.030(6) -0.023(6) C43 0.097(9) 0.145(12) 0.126(10) 0.007(9) -0.051(8) -0.038(8) C44 0.145(15) 0.196(19) 0.141(14) 0.027(13) -0.095(13) -0.077(13) C45 0.137(14) 0.167(16) 0.131(14) 0.028(11) -0.081(13) -0.082(12) C46 0.198(18) 0.123(11) 0.096(9) -0.019(8) -0.056(11) -0.057(11) C47 0.106(9) 0.127(10) 0.110(9) -0.018(8) -0.043(8) -0.030(8) C48 0.21(2) 0.183(18) 0.188(19) -0.050(15) -0.091(16) -0.029(15) C49 0.23(3) 0.19(2) 0.137(17) 0.015(14) -0.070(18) -0.10(2) C50 0.164(16) 0.167(17) 0.132(14) 0.057(12) -0.092(14) -0.105(15) C51 0.19(2) 0.159(16) 0.126(13) 0.017(11) -0.019(13) -0.064(14) C52 0.21(2) 0.28(4) 0.22(3) 0.12(3) -0.14(2) -0.16(3) C53 0.24(3) 0.20(2) 0.17(2) 0.003(15) -0.12(2) -0.12(2) C54 0.26(3) 0.186(19) 0.177(19) 0.001(15) -0.095(19) -0.113(18) C55 0.081(6) 0.092(8) 0.060(6) -0.005(5) -0.020(5) -0.026(5) C56 0.094(8) 0.183(14) 0.081(8) -0.023(8) -0.032(7) -0.014(9) C57 0.109(10) 0.23(2) 0.098(11) -0.017(12) -0.050(8) -0.027(12) C58 0.185(17) 0.21(2) 0.102(11) 0.007(14) -0.063(12) -0.118(17) C59 0.28(2) 0.164(16) 0.099(11) -0.012(11) -0.075(14) -0.088(16) C60 0.186(14) 0.113(11) 0.095(9) -0.015(8) -0.054(9) -0.055(10) C61 0.064(5) 0.078(7) 0.074(6) -0.012(5) -0.019(5) -0.013(5) C62 0.077(7) 0.102(9) 0.097(8) 0.001(7) -0.009(6) -0.006(6) C63 0.088(8) 0.101(9) 0.146(13) -0.021(9) -0.023(9) 0.006(7) C64 0.115(11) 0.144(14) 0.139(14) -0.053(11) -0.015(10) 0.049(10) C65 0.128(11) 0.144(13) 0.093(9) -0.034(9) 0.021(8) 0.021(10) C66 0.095(8) 0.100(8) 0.080(7) -0.011(6) -0.002(6) 0.004(6) C67 0.066(5) 0.077(6) 0.054(6) -0.019(4) -0.007(4) -0.011(4) C68 0.080(7) 0.099(7) 0.061(6) -0.018(5) -0.010(5) -0.016(6) C69 0.106(8) 0.115(9) 0.052(6) -0.009(6) 0.003(6) -0.029(7) C70 0.084(7) 0.117(9) 0.080(8) -0.002(7) 0.007(6) -0.025(6) C71 0.081(7) 0.108(8) 0.093(8) -0.014(6) -0.015(6) -0.031(6) C72 0.077(6) 0.073(6) 0.058(6) -0.010(4) -0.004(5) -0.015(5) C73 0.072(6) 0.089(8) 0.061(6) -0.018(6) -0.013(5) -0.022(5) C74 0.099(8) 0.102(9) 0.079(7) -0.020(7) -0.020(6) -0.009(7) C75 0.132(11) 0.101(9) 0.104(10) -0.016(8) -0.033(8) 0.008(8) C76 0.115(10) 0.122(12) 0.108(11) -0.053(9) -0.012(8) 0.003(8) C77 0.093(7) 0.100(9) 0.083(7) -0.025(7) -0.018(6) -0.019(6) C78 0.068(6) 0.088(7) 0.074(7) -0.035(5) -0.017(5) -0.019(5) C79 0.075(6) 0.108(8) 0.062(6) -0.035(6) -0.019(5) -0.010(7) C80 0.089(9) 0.124(10) 0.120(10) -0.032(8) -0.028(7) -0.028(7) C81 0.083(10) 0.23(2) 0.121(11) -0.048(12) -0.011(8) -0.069(11) C82 0.078(9) 0.23(2) 0.106(11) -0.082(13) -0.033(8) 0.024(13) C83 0.109(12) 0.155(14) 0.105(10) -0.015(9) -0.015(8) -0.008(10) C84 0.079(8) 0.148(13) 0.095(8) -0.030(8) -0.011(6) -0.010(8) C85 0.096(7) 0.105(8) 0.059(6) -0.024(5) -0.016(6) -0.020(6) C86 0.113(9) 0.155(12) 0.071(8) -0.033(7) -0.029(7) -0.021(8) C87 0.152(14) 0.215(18) 0.072(9) -0.059(10) -0.039(9) 0.002(12) C88 0.167(15) 0.198(17) 0.059(8) -0.037(9) -0.017(10) 0.008(13) C89 0.150(13) 0.25(2) 0.060(8) -0.030(10) 0.009(8) -0.068(13) C90 0.123(10) 0.159(12) 0.064(7) -0.030(7) -0.013(7) -0.037(9) O1 0.124(6) 0.091(5) 0.073(4) -0.026(4) -0.019(4) -0.003(5) O2 0.078(5) 0.107(6) 0.103(6) -0.015(5) -0.019(4) 0.001(4) O3 0.147(7) 0.094(5) 0.085(5) 0.005(4) -0.040(5) -0.050(5) O4 0.122(6) 0.103(6) 0.076(5) 0.012(4) -0.029(4) -0.017(5) O5 0.074(4) 0.111(5) 0.072(4) -0.030(4) -0.007(3) -0.021(4) O6 0.072(5) 0.111(5) 0.076(4) -0.026(4) -0.015(3) -0.023(4) O7 0.076(4) 0.078(4) 0.054(3) -0.013(3) -0.017(3) -0.014(3) O8 0.086(4) 0.092(4) 0.056(3) -0.020(3) -0.018(3) -0.019(3) O9 0.094(4) 0.081(4) 0.055(4) -0.023(3) -0.016(3) -0.020(3) C1 0.47(8) 0.30(5) 0.27(5) -0.25(5) -0.29(6) 0.27(6) C2 0.27(5) 0.065(15) 0.15(3) -0.079(17) 0.02(3) 0.02(2) F1 0.165(10) 0.181(11) 0.148(10) -0.022(8) -0.019(8) -0.002(8) F2 0.192(13) 0.201(13) 0.182(12) -0.031(9) -0.049(9) -0.003(9) F3 0.215(11) 0.186(11) 0.173(11) -0.074(9) -0.033(8) -0.027(8) F4 0.140(9) 0.131(10) 0.133(9) -0.042(7) -0.034(7) -0.022(7) F5 0.181(11) 0.132(10) 0.182(11) -0.037(8) -0.052(9) -0.014(8) C1' 0.098(12) 0.097(13) 0.064(12) -0.008(9) -0.014(9) -0.002(10) C2' 0.098(13) 0.113(14) 0.106(14) -0.017(10) -0.015(9) -0.002(9) F1' 0.180(13) 0.154(13) 0.161(13) -0.037(9) -0.044(9) -0.024(9) F2' 0.118(11) 0.127(12) 0.135(12) -0.010(9) -0.033(9) -0.029(8) F3' 0.165(14) 0.135(13) 0.161(13) -0.040(9) -0.047(9) 0.000(9) F4' 0.109(10) 0.107(10) 0.106(10) -0.030(8) -0.015(8) 0.010(8) F5' 0.128(11) 0.137(12) 0.144(12) -0.028(9) -0.026(8) 0.005(8) F6 0.290(17) 0.176(11) 0.37(2) -0.063(13) -0.059(15) -0.131(11) F7 0.216(13) 0.271(17) 0.222(14) 0.022(13) -0.034(12) -0.088(12) F8 0.287(18) 0.185(12) 0.49(3) 0.088(16) -0.26(2) -0.104(12) F9 0.249(13) 0.107(7) 0.275(15) 0.000(8) -0.064(11) -0.023(7) F10 0.323(18) 0.189(11) 0.185(11) -0.083(9) -0.033(11) -0.088(11) F11 0.146(8) 0.297(14) 0.110(6) 0.007(7) -0.018(6) -0.069(8) F12 0.164(9) 0.53(3) 0.089(6) -0.058(10) 0.031(6) -0.056(12) F13 0.293(16) 0.227(13) 0.149(9) 0.029(9) -0.062(9) -0.121(12) F14 0.084(5) 0.290(12) 0.145(7) -0.101(8) 0.018(5) -0.027(6) F15 0.155(7) 0.223(10) 0.148(7) -0.118(8) 0.009(6) -0.027(7) P1 0.0642(14) 0.0825(17) 0.0555(13) -0.0161(12) -0.0124(11) -0.0137(12) P2 0.0746(15) 0.0958(19) 0.0543(14) -0.0241(12) -0.0148(11) -0.0222(13) Eu1 0.0698(4) 0.0774(4) 0.0574(4) -0.0158(2) -0.0125(2) -0.0153(2) _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 C3 O1 1.260(15) . ? C3 C4 1.40(2) . ? C3 C2' 1.531(10) . ? C3 C2 1.561(10) . ? C4 C5 1.42(2) . ? C4 H4 0.9300 . ? C5 O2 1.202(15) . ? C5 C6 1.53(2) . ? C6 C7 1.32(2) . ? C6 C11 1.36(2) . ? C7 C8 1.45(3) . ? C7 H7 0.9300 . ? C8 C9 1.42(2) . ? C8 H8 0.9300 . ? C9 C10 1.33(2) . ? C9 C14 1.506(10) . ? C10 C11 1.49(2) . ? C10 C12 1.501(10) . ? C11 H11 0.9300 . ? C12 C13 1.496(10) . ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C13 C18 1.31(2) . ? C13 C14 1.44(2) . ? C14 C15 1.37(3) . ? C15 C16 1.34(3) . ? C15 H15 0.9300 . ? C16 C17 1.33(3) . ? C16 H16 0.9300 . ? C17 C18 1.42(3) . ? C17 H17 0.9300 . ? C18 H18 0.9300 . ? C19 F8 1.333(10) . ? C19 F6 1.338(10) . ? C19 F7 1.341(10) . ? C19 C20 1.501(10) . ? C20 F9 1.340(10) . ? C20 F10 1.353(10) . ? C20 C21 1.533(10) . ? C21 O3 1.214(16) . ? C21 C22 1.29(2) . ? C22 C23 1.502(17) . ? C22 H22 0.9300 . ? C23 O4 1.212(10) . ? C23 C24 1.4406 . ? C24 C25 1.3900 . ? C24 C29 1.3900 . ? C25 C26 1.3900 . ? C25 H25 0.9300 . ? C26 C27 1.3900 . ? C26 H26 0.9300 . ? C27 C28 1.3900 . ? C27 C36 1.476(6) . ? C28 C29 1.3900 . ? C28 C30 1.501(6) . ? C29 H29 0.9300 . ? C30 C31 1.5960 . ? C30 H30A 0.9700 . ? C30 H30B 0.9700 . ? C31 C32 1.3900 . ? C31 C36 1.3900 . ? C32 C33 1.3900 . ? C32 H32 0.9300 . ? C33 C34 1.3900 . ? C33 H33 0.9300 . ? C34 C35 1.3900 . ? C34 H34 0.9300 . ? C35 C36 1.3900 . ? C35 H35 0.9300 . ? C37 F13 1.327(9) . ? C37 F11 1.333(8) . ? C37 F12 1.336(7) . ? C37 C38 1.5052 . ? C38 F14 1.345(7) . ? C38 F15 1.357(8) . ? C38 C39 1.5269 . ? C39 O5 1.267(8) . ? C39 C40 1.3762 . ? C40 C41 1.414(12) . ? C40 H40 0.9300 . ? C41 O6 1.242(12) . ? C41 C42 1.483(15) . ? C42 C43 1.369(17) . ? C42 C47 1.370(17) . ? C43 C44 1.328(19) . ? C43 H43 0.9300 . ? C44 C45 1.26(2) . ? C44 H44 0.9300 . ? C45 C46 1.37(2) . ? C45 C50 1.491(10) . ? C46 C47 1.425(19) . ? C46 C48 1.487(10) . ? C47 H47 0.9300 . ? C48 C49 1.516(10) . ? C48 H48A 0.9700 . ? C48 H48B 0.9700 . ? C49 C50 1.31(3) . ? C49 C54 1.34(3) . ? C50 C51 1.38(3) . ? C51 C52 1.54(3) . ? C51 H51 0.9300 . ? C52 C53 1.42(4) . ? C52 H52 0.9300 . ? C53 C54 1.29(3) . ? C53 H53 0.9300 . ? C54 H54 0.9300 . ? C55 C60 1.343(17) . ? C55 C56 1.392(16) . ? C55 P1 1.783(10) . ? C56 C57 1.39(2) . ? C56 H56 0.9300 . ? C57 C58 1.32(2) . ? C57 H57 0.9300 . ? C58 C59 1.36(3) . ? C58 H58 0.9300 . ? C59 C60 1.41(2) . ? C59 H59 0.9300 . ? C60 H60 0.9300 . ? C61 C62 1.365(14) . ? C61 C66 1.385(14) . ? C61 P1 1.783(10) . ? C62 C63 1.359(17) . ? C62 H62 0.9300 . ? C63 C64 1.34(2) . ? C63 H63 0.9300 . ? C64 C65 1.39(2) . ? C64 H64 0.9300 . ? C65 C66 1.348(16) . ? C65 H65 0.9300 . ? C66 H66 0.9300 . ? C67 C68 1.383(13) . ? C67 C72 1.396(13) . ? C67 P1 1.798(9) . ? C68 C69 1.353(14) . ? C68 H68 0.9300 . ? C69 C70 1.356(16) . ? C69 H69 0.9300 . ? C70 C71 1.386(16) . ? C70 H70 0.9300 . ? C71 C72 1.362(14) . ? C71 H71 0.9300 . ? C72 O9 1.390(11) . ? C73 O9 1.351(11) . ? C73 C74 1.361(15) . ? C73 C78 1.385(13) . ? C74 C75 1.380(16) . ? C74 H74 0.9300 . ? C75 C76 1.405(18) . ? C75 H75 0.9300 . ? C76 C77 1.368(17) . ? C76 H76 0.9300 . ? C77 C78 1.406(14) . ? C77 H77 0.9300 . ? C78 P2 1.786(11) . ? C79 C84 1.335(16) . ? C79 C80 1.360(16) . ? C79 P2 1.794(10) . ? C80 C81 1.426(19) . ? C80 H80 0.9300 . ? C81 C82 1.35(2) . ? C81 H81 0.9300 . ? C82 C83 1.31(2) . ? C82 H82 0.9300 . ? C83 C84 1.373(19) . ? C83 H83 0.9300 . ? C84 H84 0.9300 . ? C85 C90 1.357(16) . ? C85 C86 1.370(15) . ? C85 P2 1.808(10) . ? C86 C87 1.363(18) . ? C86 H86 0.9300 . ? C87 C88 1.36(2) . ? C87 H87 0.9300 . ? C88 C89 1.37(2) . ? C88 H88 0.9300 . ? C89 C90 1.406(17) . ? C89 H89 0.9300 . ? C90 H90 0.9300 . ? O1 Eu1 2.463(7) . ? O2 Eu1 2.346(8) . ? O3 Eu1 2.343(8) . ? O4 Eu1 2.440(7) . ? O5 Eu1 2.375(6) . ? O6 Eu1 2.378(7) . ? O7 P1 1.473(6) . ? O7 Eu1 2.377(6) . ? O8 P2 1.484(7) . ? O8 Eu1 2.381(6) . ? C1 F3 1.365(10) . ? C1 F2 1.366(10) . ? C1 F1 1.371(10) . ? C1 C2 1.538(10) . ? C2 F4 1.381(10) . ? C2 F5 1.384(10) . ? C1' F2' 1.349(10) . ? C1' F1' 1.350(10) . ? C1' F3' 1.354(10) . ? C1' C2' 1.524(10) . ? C2' F4' 1.357(10) . ? C2' F5' 1.367(10) . ? C91 C92 1.470(11) . ? C91 H91A 0.9600 . ? C91 H91B 0.9600 . ? C91 H91C 0.9600 . ? C92 O10 1.216(11) . ? C92 C93 1.473(11) . ? C93 H93A 0.9600 . ? C93 H93B 0.9600 . ? C93 H93C 0.9600 . ? 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 O1 C3 C4 124.4(12) . . ? O1 C3 C2' 118.6(14) . . ? C4 C3 C2' 106.9(15) . . ? O1 C3 C2 107.2(13) . . ? C4 C3 C2 127.5(15) . . ? C2' C3 C2 46.3(11) . . ? C3 C4 C5 124.5(13) . . ? C3 C4 H4 117.8 . . ? C5 C4 H4 117.8 . . ? O2 C5 C4 120.9(14) . . ? O2 C5 C6 116.5(16) . . ? C4 C5 C6 122.6(16) . . ? C7 C6 C11 120.2(19) . . ? C7 C6 C5 126(2) . . ? C11 C6 C5 114.0(14) . . ? C6 C7 C8 118(2) . . ? C6 C7 H7 121.2 . . ? C8 C7 H7 121.2 . . ? C9 C8 C7 121.9(17) . . ? C9 C8 H8 119.0 . . ? C7 C8 H8 119.0 . . ? C10 C9 C8 120.7(16) . . ? C10 C9 C14 107.9(15) . . ? C8 C9 C14 131.0(18) . . ? C9 C10 C11 114.8(16) . . ? C9 C10 C12 112.4(16) . . ? C11 C10 C12 132.7(16) . . ? C6 C11 C10 124.2(16) . . ? C6 C11 H11 117.9 . . ? C10 C11 H11 117.9 . . ? C13 C12 C10 104.5(15) . . ? C13 C12 H12A 110.9 . . ? C10 C12 H12A 110.9 . . ? C13 C12 H12B 110.9 . . ? C10 C12 H12B 110.9 . . ? H12A C12 H12B 108.9 . . ? C18 C13 C14 121.7(17) . . ? C18 C13 C12 131(2) . . ? C14 C13 C12 106.9(16) . . ? C15 C14 C13 121(2) . . ? C15 C14 C9 130(2) . . ? C13 C14 C9 108.3(15) . . ? C16 C15 C14 115(3) . . ? C16 C15 H15 122.4 . . ? C14 C15 H15 122.4 . . ? C17 C16 C15 124(3) . . ? C17 C16 H16 118.2 . . ? C15 C16 H16 118.2 . . ? C16 C17 C18 123(3) . . ? C16 C17 H17 118.5 . . ? C18 C17 H17 118.5 . . ? C13 C18 C17 115(2) . . ? C13 C18 H18 122.6 . . ? C17 C18 H18 122.6 . . ? F8 C19 F6 105.1(15) . . ? F8 C19 F7 118.0(19) . . ? F6 C19 F7 120.5(19) . . ? F8 C19 C20 103.9(15) . . ? F6 C19 C20 106.6(15) . . ? F7 C19 C20 100.9(14) . . ? F9 C20 F10 103.6(16) . . ? F9 C20 C19 104.6(13) . . ? F10 C20 C19 110.2(15) . . ? F9 C20 C21 115.2(13) . . ? F10 C20 C21 109.6(13) . . ? C19 C20 C21 113.0(14) . . ? O3 C21 C22 126.0(15) . . ? O3 C21 C20 118.8(15) . . ? C22 C21 C20 115.2(14) . . ? C21 C22 C23 125.6(13) . . ? C21 C22 H22 117.2 . . ? C23 C22 H22 117.2 . . ? O4 C23 C24 119.5(5) . . ? O4 C23 C22 120.2(7) . . ? C24 C23 C22 120.3(5) . . ? C25 C24 C29 120.0 . . ? C25 C24 C23 118.5 . . ? C29 C24 C23 121.3 . . ? C24 C25 C26 120.0 . . ? C24 C25 H25 120.0 . . ? C26 C25 H25 120.0 . . ? C27 C26 C25 120.0 . . ? C27 C26 H26 120.0 . . ? C25 C26 H26 120.0 . . ? C26 C27 C28 120.0 . . ? C26 C27 C36 129.1(3) . . ? C28 C27 C36 110.7(3) . . ? C27 C28 C29 120.0 . . ? C27 C28 C30 114.1(3) . . ? C29 C28 C30 125.7(3) . . ? C28 C29 C24 120.0 . . ? C28 C29 H29 120.0 . . ? C24 C29 H29 120.0 . . ? C28 C30 C31 94.9(3) . . ? C28 C30 H30A 112.8 . . ? C31 C30 H30A 112.8 . . ? C28 C30 H30B 112.8 . . ? C31 C30 H30B 112.8 . . ? H30A C30 H30B 110.2 . . ? C32 C31 C36 120.0 . . ? C32 C31 C30 123.8 . . ? C36 C31 C30 115.9 . . ? C31 C32 C33 120.0 . . ? C31 C32 H32 120.0 . . ? C33 C32 H32 120.0 . . ? C34 C33 C32 120.0 . . ? C34 C33 H33 120.0 . . ? C32 C33 H33 120.0 . . ? C35 C34 C33 120.0 . . ? C35 C34 H34 120.0 . . ? C33 C34 H34 120.0 . . ? C34 C35 C36 120.0 . . ? C34 C35 H35 120.0 . . ? C36 C35 H35 120.0 . . ? C35 C36 C31 120.0 . . ? C35 C36 C27 136.9(3) . . ? C31 C36 C27 103.1(3) . . ? F13 C37 F11 106.8(10) . . ? F13 C37 F12 106.9(10) . . ? F11 C37 F12 105.7(8) . . ? F13 C37 C38 111.7(6) . . ? F11 C37 C38 113.4(5) . . ? F12 C37 C38 111.8(8) . . ? F14 C38 F15 106.8(7) . . ? F14 C38 C37 107.0(6) . . ? F15 C38 C37 106.3(5) . . ? F14 C38 C39 112.5(4) . . ? F15 C38 C39 110.1(4) . . ? C37 C38 C39 113.6 . . ? O5 C39 C40 128.6(3) . . ? O5 C39 C38 113.2(3) . . ? C40 C39 C38 118.2 . . ? C39 C40 C41 121.2(5) . . ? C39 C40 H40 119.4 . . ? C41 C40 H40 119.4 . . ? O6 C41 C40 123.5(8) . . ? O6 C41 C42 118.2(10) . . ? C40 C41 C42 118.2(9) . . ? C43 C42 C47 119.3(11) . . ? C43 C42 C41 124.6(12) . . ? C47 C42 C41 116.1(11) . . ? C44 C43 C42 121.3(17) . . ? C44 C43 H43 119.4 . . ? C42 C43 H43 119.4 . . ? C45 C44 C43 124.2(19) . . ? C45 C44 H44 117.9 . . ? C43 C44 H44 117.9 . . ? C44 C45 C46 117.4(14) . . ? C44 C45 C50 136(2) . . ? C46 C45 C50 106.0(17) . . ? C45 C46 C47 122.8(13) . . ? C45 C46 C48 112.9(15) . . ? C47 C46 C48 124.2(18) . . ? C42 C47 C46 115.0(13) . . ? C42 C47 H47 122.5 . . ? C46 C47 H47 122.5 . . ? C46 C48 C49 98.8(15) . . ? C46 C48 H48A 112.0 . . ? C49 C48 H48A 112.0 . . ? C46 C48 H48B 112.0 . . ? C49 C48 H48B 112.0 . . ? H48A C48 H48B 109.7 . . ? C50 C49 C54 112(2) . . ? C50 C49 C48 113.7(19) . . ? C54 C49 C48 134(3) . . ? C49 C50 C51 130.5(17) . . ? C49 C50 C45 108.1(19) . . ? C51 C50 C45 121(2) . . ? C50 C51 C52 115(2) . . ? C50 C51 H51 122.7 . . ? C52 C51 H51 122.7 . . ? C53 C52 C51 110.4(19) . . ? C53 C52 H52 124.8 . . ? C51 C52 H52 124.8 . . ? C54 C53 C52 125(2) . . ? C54 C53 H53 117.5 . . ? C52 C53 H53 117.5 . . ? C53 C54 C49 127(3) . . ? C53 C54 H54 116.7 . . ? C49 C54 H54 116.7 . . ? C60 C55 C56 118.3(11) . . ? C60 C55 P1 117.6(9) . . ? C56 C55 P1 124.0(10) . . ? C57 C56 C55 121.3(16) . . ? C57 C56 H56 119.3 . . ? C55 C56 H56 119.3 . . ? C58 C57 C56 118.0(17) . . ? C58 C57 H57 121.0 . . ? C56 C57 H57 121.0 . . ? C57 C58 C59 123.9(17) . . ? C57 C58 H58 118.1 . . ? C59 C58 H58 118.1 . . ? C58 C59 C60 117.4(18) . . ? C58 C59 H59 121.3 . . ? C60 C59 H59 121.3 . . ? C55 C60 C59 121.0(16) . . ? C55 C60 H60 119.5 . . ? C59 C60 H60 119.5 . . ? C62 C61 C66 117.3(10) . . ? C62 C61 P1 123.6(8) . . ? C66 C61 P1 119.1(8) . . ? C63 C62 C61 121.7(11) . . ? C63 C62 H62 119.1 . . ? C61 C62 H62 119.1 . . ? C64 C63 C62 120.3(13) . . ? C64 C63 H63 119.9 . . ? C62 C63 H63 119.9 . . ? C63 C64 C65 119.9(12) . . ? C63 C64 H64 120.0 . . ? C65 C64 H64 120.0 . . ? C66 C65 C64 119.3(13) . . ? C66 C65 H65 120.3 . . ? C64 C65 H65 120.3 . . ? C65 C66 C61 121.4(12) . . ? C65 C66 H66 119.3 . . ? C61 C66 H66 119.3 . . ? C68 C67 C72 116.7(8) . . ? C68 C67 P1 124.1(7) . . ? C72 C67 P1 118.9(6) . . ? C69 C68 C67 122.0(10) . . ? C69 C68 H68 119.0 . . ? C67 C68 H68 119.0 . . ? C68 C69 C70 120.3(10) . . ? C68 C69 H69 119.9 . . ? C70 C69 H69 119.9 . . ? C69 C70 C71 120.1(10) . . ? C69 C70 H70 119.9 . . ? C71 C70 H70 119.9 . . ? C72 C71 C70 119.1(11) . . ? C72 C71 H71 120.5 . . ? C70 C71 H71 120.5 . . ? C71 C72 O9 120.6(9) . . ? C71 C72 C67 121.7(9) . . ? O9 C72 C67 117.5(8) . . ? O9 C73 C74 124.2(9) . . ? O9 C73 C78 114.4(9) . . ? C74 C73 C78 121.4(10) . . ? C73 C74 C75 121.2(11) . . ? C73 C74 H74 119.4 . . ? C75 C74 H74 119.4 . . ? C74 C75 C76 117.7(12) . . ? C74 C75 H75 121.1 . . ? C76 C75 H75 121.1 . . ? C77 C76 C75 121.7(11) . . ? C77 C76 H76 119.1 . . ? C75 C76 H76 119.1 . . ? C76 C77 C78 119.3(11) . . ? C76 C77 H77 120.3 . . ? C78 C77 H77 120.3 . . ? C73 C78 C77 118.6(10) . . ? C73 C78 P2 120.1(7) . . ? C77 C78 P2 121.3(8) . . ? C84 C79 C80 117.4(11) . . ? C84 C79 P2 118.7(10) . . ? C80 C79 P2 123.8(10) . . ? C79 C80 C81 118.4(15) . . ? C79 C80 H80 120.8 . . ? C81 C80 H80 120.8 . . ? C82 C81 C80 120.3(16) . . ? C82 C81 H81 119.8 . . ? C80 C81 H81 119.8 . . ? C83 C82 C81 120.9(15) . . ? C83 C82 H82 119.6 . . ? C81 C82 H82 119.6 . . ? C82 C83 C84 118.3(16) . . ? C82 C83 H83 120.9 . . ? C84 C83 H83 120.8 . . ? C79 C84 C83 124.6(14) . . ? C79 C84 H84 117.7 . . ? C83 C84 H84 117.7 . . ? C90 C85 C86 121.5(10) . . ? C90 C85 P2 116.6(8) . . ? C86 C85 P2 121.8(9) . . ? C87 C86 C85 120.2(14) . . ? C87 C86 H86 119.9 . . ? C85 C86 H86 119.9 . . ? C86 C87 C88 118.7(14) . . ? C86 C87 H87 120.7 . . ? C88 C87 H87 120.7 . . ? C87 C88 C89 122.6(12) . . ? C87 C88 H88 118.7 . . ? C89 C88 H88 118.7 . . ? C88 C89 C90 117.9(14) . . ? C88 C89 H89 121.1 . . ? C90 C89 H89 121.1 . . ? C85 C90 C89 119.1(13) . . ? C85 C90 H90 120.4 . . ? C89 C90 H90 120.4 . . ? C3 O1 Eu1 129.2(7) . . ? C5 O2 Eu1 137.1(10) . . ? C21 O3 Eu1 139.1(9) . . ? C23 O4 Eu1 137.2(6) . . ? C39 O5 Eu1 133.0(4) . . ? C41 O6 Eu1 138.0(7) . . ? P1 O7 Eu1 160.5(4) . . ? P2 O8 Eu1 176.2(4) . . ? C73 O9 C72 120.2(8) . . ? F3 C1 F2 108.3(10) . . ? F3 C1 F1 107.9(10) . . ? F2 C1 F1 108.0(11) . . ? F3 C1 C2 110.5(15) . . ? F2 C1 C2 106.9(16) . . ? F1 C1 C2 115.0(15) . . ? F4 C2 F5 105.4(10) . . ? F4 C2 C1 95.2(15) . . ? F5 C2 C1 108.2(16) . . ? F4 C2 C3 123.8(14) . . ? F5 C2 C3 116.8(15) . . ? C1 C2 C3 104.2(11) . . ? F2' C1' F1' 110.8(11) . . ? F2' C1' F3' 111.1(11) . . ? F1' C1' F3' 110.3(11) . . ? F2' C1' C2' 113.7(17) . . ? F1' C1' C2' 111.7(17) . . ? F3' C1' C2' 98.8(19) . . ? F4' C2' F5' 109.4(10) . . ? F4' C2' C1' 110.7(18) . . ? F5' C2' C1' 95.9(17) . . ? F4' C2' C3 119.5(17) . . ? F5' C2' C3 122.1(18) . . ? C1' C2' C3 94.4(13) . . ? O7 P1 C55 111.7(4) . . ? O7 P1 C61 112.1(4) . . ? C55 P1 C61 108.0(5) . . ? O7 P1 C67 111.3(4) . . ? C55 P1 C67 106.1(4) . . ? C61 P1 C67 107.4(4) . . ? O8 P2 C78 114.2(4) . . ? O8 P2 C79 112.9(4) . . ? C78 P2 C79 106.7(5) . . ? O8 P2 C85 111.0(4) . . ? C78 P2 C85 105.6(5) . . ? C79 P2 C85 105.9(5) . . ? O3 Eu1 O2 91.3(3) . . ? O3 Eu1 O5 90.1(3) . . ? O2 Eu1 O5 141.5(3) . . ? O3 Eu1 O7 135.6(2) . . ? O2 Eu1 O7 102.3(2) . . ? O5 Eu1 O7 103.3(2) . . ? O3 Eu1 O6 72.2(3) . . ? O2 Eu1 O6 145.8(3) . . ? O5 Eu1 O6 70.0(2) . . ? O7 Eu1 O6 73.3(2) . . ? O3 Eu1 O8 147.6(2) . . ? O2 Eu1 O8 81.4(3) . . ? O5 Eu1 O8 77.1(2) . . ? O7 Eu1 O8 76.7(2) . . ? O6 Eu1 O8 128.0(2) . . ? O3 Eu1 O4 70.2(3) . . ? O2 Eu1 O4 70.5(3) . . ? O5 Eu1 O4 73.9(3) . . ? O7 Eu1 O4 154.1(2) . . ? O6 Eu1 O4 126.8(3) . . ? O8 Eu1 O4 77.6(2) . . ? O3 Eu1 O1 72.0(3) . . ? O2 Eu1 O1 68.6(3) . . ? O5 Eu1 O1 146.7(3) . . ? O7 Eu1 O1 74.2(2) . . ? O6 Eu1 O1 77.8(2) . . ? O8 Eu1 O1 131.8(2) . . ? O4 Eu1 O1 122.4(3) . . ? C92 C91 H91A 109.5 . . ? C92 C91 H91B 109.3 . . ? H91A C91 H91B 109.5 . . ? C92 C91 H91C 109.6 . . ? H91A C91 H91C 109.5 . . ? H91B C91 H91C 109.5 . . ? O10 C92 C91 136(3) . . ? O10 C92 C93 111(3) . . ? C91 C92 C93 113(2) . . ? C92 C93 H93A 109.5 . . ? C92 C93 H93B 109.7 . . ? H93A C93 H93B 109.5 . . ? C92 C93 H93C 109.3 . . ? H93A C93 H93C 109.5 . . ? H93B C93 H93C 109.5 . . ? 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 O1 C3 C4 C5 1(3) . . . . ? C2' C3 C4 C5 145.5(16) . . . . ? C2 C3 C4 C5 -167.1(15) . . . . ? C3 C4 C5 O2 0(2) . . . . ? C3 C4 C5 C6 -179.9(15) . . . . ? O2 C5 C6 C7 -152.4(18) . . . . ? C4 C5 C6 C7 27(3) . . . . ? O2 C5 C6 C11 26(2) . . . . ? C4 C5 C6 C11 -154.3(16) . . . . ? C11 C6 C7 C8 -2(3) . . . . ? C5 C6 C7 C8 176.8(18) . . . . ? C6 C7 C8 C9 -6(4) . . . . ? C7 C8 C9 C10 8(3) . . . . ? C7 C8 C9 C14 -180(2) . . . . ? C8 C9 C10 C11 -3(3) . . . . ? C14 C9 C10 C11 -177.0(15) . . . . ? C8 C9 C10 C12 174(2) . . . . ? C14 C9 C10 C12 0(2) . . . . ? C7 C6 C11 C10 7(3) . . . . ? C5 C6 C11 C10 -172.0(15) . . . . ? C9 C10 C11 C6 -4(3) . . . . ? C12 C10 C11 C6 179(2) . . . . ? C9 C10 C12 C13 -2(3) . . . . ? C11 C10 C12 C13 175(2) . . . . ? C10 C12 C13 C18 -173(3) . . . . ? C10 C12 C13 C14 2(2) . . . . ? C18 C13 C14 C15 -4(4) . . . . ? C12 C13 C14 C15 179(2) . . . . ? C18 C13 C14 C9 174(2) . . . . ? C12 C13 C14 C9 -2(2) . . . . ? C10 C9 C14 C15 179(2) . . . . ? C8 C9 C14 C15 7(4) . . . . ? C10 C9 C14 C13 1(2) . . . . ? C8 C9 C14 C13 -172(2) . . . . ? C13 C14 C15 C16 -1(4) . . . . ? C9 C14 C15 C16 -179(2) . . . . ? C14 C15 C16 C17 4(5) . . . . ? C15 C16 C17 C18 -2(5) . . . . ? C14 C13 C18 C17 6(4) . . . . ? C12 C13 C18 C17 -179(2) . . . . ? C16 C17 C18 C13 -3(4) . . . . ? F8 C19 C20 F9 -173.1(15) . . . . ? F6 C19 C20 F9 -62.3(17) . . . . ? F7 C19 C20 F9 64.2(16) . . . . ? F8 C19 C20 F10 -62.2(17) . . . . ? F6 C19 C20 F10 48.5(19) . . . . ? F7 C19 C20 F10 175.1(14) . . . . ? F8 C19 C20 C21 60.9(18) . . . . ? F6 C19 C20 C21 171.6(15) . . . . ? F7 C19 C20 C21 -61.9(17) . . . . ? F9 C20 C21 O3 161.6(17) . . . . ? F10 C20 C21 O3 45(2) . . . . ? C19 C20 C21 O3 -78(2) . . . . ? F9 C20 C21 C22 -21(3) . . . . ? F10 C20 C21 C22 -137(2) . . . . ? C19 C20 C21 C22 100(2) . . . . ? O3 C21 C22 C23 -10(4) . . . . ? C20 C21 C22 C23 172.1(16) . . . . ? C21 C22 C23 O4 10(3) . . . . ? C21 C22 C23 C24 -172.5(18) . . . . ? O4 C23 C24 C25 -166.6(6) . . . . ? C22 C23 C24 C25 15.6(10) . . . . ? O4 C23 C24 C29 7.9(6) . . . . ? C22 C23 C24 C29 -169.9(10) . . . . ? C29 C24 C25 C26 0.0 . . . . ? C23 C24 C25 C26 174.6 . . . . ? C24 C25 C26 C27 0.0 . . . . ? C25 C26 C27 C28 0.0 . . . . ? C25 C26 C27 C36 -175.1(4) . . . . ? C26 C27 C28 C29 0.0 . . . . ? C36 C27 C28 C29 176.0(3) . . . . ? C26 C27 C28 C30 175.4(3) . . . . ? C36 C27 C28 C30 -8.6 . . . . ? C27 C28 C29 C24 0.0 . . . . ? C30 C28 C29 C24 -174.9(4) . . . . ? C25 C24 C29 C28 0.0 . . . . ? C23 C24 C29 C28 -174.4 . . . . ? C27 C28 C30 C31 10.90(17) . . . . ? C29 C28 C30 C31 -174.0(2) . . . . ? C28 C30 C31 C32 175.4(3) . . . . ? C28 C30 C31 C36 -10.7(3) . . . . ? C36 C31 C32 C33 0.0 . . . . ? C30 C31 C32 C33 173.7 . . . . ? C31 C32 C33 C34 0.0 . . . . ? C32 C33 C34 C35 0.0 . . . . ? C33 C34 C35 C36 0.0 . . . . ? C34 C35 C36 C31 0.0 . . . . ? C34 C35 C36 C27 178.8(5) . . . . ? C32 C31 C36 C35 0.0 . . . . ? C30 C31 C36 C35 -174.2 . . . . ? C32 C31 C36 C27 -179.2(3) . . . . ? C30 C31 C36 C27 6.7(3) . . . . ? C26 C27 C36 C35 -2.5(6) . . . . ? C28 C27 C36 C35 -178.0(2) . . . . ? C26 C27 C36 C31 176.42(18) . . . . ? C28 C27 C36 C31 0.93(19) . . . . ? F13 C37 C38 F14 70.1(8) . . . . ? F11 C37 C38 F14 -169.0(8) . . . . ? F12 C37 C38 F14 -49.6(9) . . . . ? F13 C37 C38 F15 -176.0(9) . . . . ? F11 C37 C38 F15 -55.1(7) . . . . ? F12 C37 C38 F15 64.3(9) . . . . ? F13 C37 C38 C39 -54.7(7) . . . . ? F11 C37 C38 C39 66.2(6) . . . . ? F12 C37 C38 C39 -174.4(8) . . . . ? F14 C38 C39 O5 169.3(9) . . . . ? F15 C38 C39 O5 50.2(7) . . . . ? C37 C38 C39 O5 -68.9(5) . . . . ? F14 C38 C39 C40 -10.6(6) . . . . ? F15 C38 C39 C40 -129.6(6) . . . . ? C37 C38 C39 C40 111.2 . . . . ? O5 C39 C40 C41 0.9(7) . . . . ? C38 C39 C40 C41 -179.3(6) . . . . ? C39 C40 C41 O6 1.5(13) . . . . ? C39 C40 C41 C42 -180.0(7) . . . . ? O6 C41 C42 C43 -152.5(12) . . . . ? C40 C41 C42 C43 29.0(17) . . . . ? O6 C41 C42 C47 26.7(16) . . . . ? C40 C41 C42 C47 -151.9(10) . . . . ? C47 C42 C43 C44 0(2) . . . . ? C41 C42 C43 C44 179.5(13) . . . . ? C42 C43 C44 C45 0(3) . . . . ? C43 C44 C45 C46 1(3) . . . . ? C43 C44 C45 C50 172.6(16) . . . . ? C44 C45 C46 C47 -3(3) . . . . ? C50 C45 C46 C47 -176.7(13) . . . . ? C44 C45 C46 C48 -179.5(17) . . . . ? C50 C45 C46 C48 6.7(19) . . . . ? C43 C42 C47 C46 -1.9(18) . . . . ? C41 C42 C47 C46 178.9(11) . . . . ? C45 C46 C47 C42 3(2) . . . . ? C48 C46 C47 C42 179.4(15) . . . . ? C45 C46 C48 C49 -7(2) . . . . ? C47 C46 C48 C49 176.8(15) . . . . ? C46 C48 C49 C50 4(2) . . . . ? C46 C48 C49 C54 -175(2) . . . . ? C54 C49 C50 C51 -6(4) . . . . ? C48 C49 C50 C51 174.6(17) . . . . ? C54 C49 C50 C45 178.6(16) . . . . ? C48 C49 C50 C45 -1(3) . . . . ? C44 C45 C50 C49 -176(2) . . . . ? C46 C45 C50 C49 -4(2) . . . . ? C44 C45 C50 C51 9(3) . . . . ? C46 C45 C50 C51 -179.4(14) . . . . ? C49 C50 C51 C52 6(3) . . . . ? C45 C50 C51 C52 -179.6(15) . . . . ? C50 C51 C52 C53 0(3) . . . . ? C51 C52 C53 C54 -4(4) . . . . ? C52 C53 C54 C49 4(4) . . . . ? C50 C49 C54 C53 1(4) . . . . ? C48 C49 C54 C53 -180(2) . . . . ? C60 C55 C56 C57 0.0(18) . . . . ? P1 C55 C56 C57 178.1(10) . . . . ? C55 C56 C57 C58 0(2) . . . . ? C56 C57 C58 C59 1(3) . . . . ? C57 C58 C59 C60 -2(3) . . . . ? C56 C55 C60 C59 -1(2) . . . . ? P1 C55 C60 C59 -179.4(12) . . . . ? C58 C59 C60 C55 2(3) . . . . ? C66 C61 C62 C63 0.3(17) . . . . ? P1 C61 C62 C63 -179.9(9) . . . . ? C61 C62 C63 C64 1(2) . . . . ? C62 C63 C64 C65 -1(2) . . . . ? C63 C64 C65 C66 0(3) . . . . ? C64 C65 C66 C61 1(2) . . . . ? C62 C61 C66 C65 -1.5(18) . . . . ? P1 C61 C66 C65 178.6(11) . . . . ? C72 C67 C68 C69 -0.3(15) . . . . ? P1 C67 C68 C69 -173.8(9) . . . . ? C67 C68 C69 C70 0.9(18) . . . . ? C68 C69 C70 C71 -1.7(19) . . . . ? C69 C70 C71 C72 1.9(18) . . . . ? C70 C71 C72 O9 174.1(10) . . . . ? C70 C71 C72 C67 -1.3(17) . . . . ? C68 C67 C72 C71 0.5(14) . . . . ? P1 C67 C72 C71 174.4(8) . . . . ? C68 C67 C72 O9 -175.0(8) . . . . ? P1 C67 C72 O9 -1.2(12) . . . . ? O9 C73 C74 C75 176.8(10) . . . . ? C78 C73 C74 C75 -2.6(17) . . . . ? C73 C74 C75 C76 0.4(19) . . . . ? C74 C75 C76 C77 1(2) . . . . ? C75 C76 C77 C78 -1.0(19) . . . . ? O9 C73 C78 C77 -176.5(8) . . . . ? C74 C73 C78 C77 2.8(14) . . . . ? O9 C73 C78 P2 3.6(11) . . . . ? C74 C73 C78 P2 -177.1(8) . . . . ? C76 C77 C78 C73 -1.1(15) . . . . ? C76 C77 C78 P2 178.9(9) . . . . ? C84 C79 C80 C81 0.8(16) . . . . ? P2 C79 C80 C81 179.4(9) . . . . ? C79 C80 C81 C82 0(2) . . . . ? C80 C81 C82 C83 -1(2) . . . . ? C81 C82 C83 C84 1(2) . . . . ? C80 C79 C84 C83 -1.0(18) . . . . ? P2 C79 C84 C83 -179.7(10) . . . . ? C82 C83 C84 C79 0(2) . . . . ? C90 C85 C86 C87 -1(2) . . . . ? P2 C85 C86 C87 176.1(12) . . . . ? C85 C86 C87 C88 1(2) . . . . ? C86 C87 C88 C89 1(3) . . . . ? C87 C88 C89 C90 -2(3) . . . . ? C86 C85 C90 C89 -1(2) . . . . ? P2 C85 C90 C89 -177.7(13) . . . . ? C88 C89 C90 C85 2(3) . . . . ? C4 C3 O1 Eu1 -29(2) . . . . ? C2' C3 O1 Eu1 -169.9(11) . . . . ? C2 C3 O1 Eu1 140.9(9) . . . . ? C4 C5 O2 Eu1 34.1(19) . . . . ? C6 C5 O2 Eu1 -146.3(10) . . . . ? C22 C21 O3 Eu1 14(3) . . . . ? C20 C21 O3 Eu1 -168.5(11) . . . . ? C24 C23 O4 Eu1 169.7(5) . . . . ? C22 C23 O4 Eu1 -12.5(16) . . . . ? C40 C39 O5 Eu1 -20.8(9) . . . . ? C38 C39 O5 Eu1 159.4(4) . . . . ? C40 C41 O6 Eu1 17.4(16) . . . . ? C42 C41 O6 Eu1 -161.1(7) . . . . ? C74 C73 O9 C72 5.1(14) . . . . ? C78 C73 O9 C72 -175.5(8) . . . . ? C71 C72 O9 C73 78.7(12) . . . . ? C67 C72 O9 C73 -105.8(10) . . . . ? F3 C1 C2 F4 -60.8(15) . . . . ? F2 C1 C2 F4 56.8(14) . . . . ? F1 C1 C2 F4 176.7(13) . . . . ? F3 C1 C2 F5 47.4(17) . . . . ? F2 C1 C2 F5 164.9(14) . . . . ? F1 C1 C2 F5 -75.2(16) . . . . ? F3 C1 C2 C3 172.3(13) . . . . ? F2 C1 C2 C3 -70.1(15) . . . . ? F1 C1 C2 C3 49.8(17) . . . . ? O1 C3 C2 F4 -7(2) . . . . ? C4 C3 C2 F4 162.3(17) . . . . ? C2' C3 C2 F4 -121(2) . . . . ? O1 C3 C2 F5 -141.7(16) . . . . ? C4 C3 C2 F5 28(3) . . . . ? C2' C3 C2 F5 105(2) . . . . ? O1 C3 C2 C1 99.1(14) . . . . ? C4 C3 C2 C1 -91(2) . . . . ? C2' C3 C2 C1 -14.4(15) . . . . ? F2' C1' C2' F4' -75.1(19) . . . . ? F1' C1' C2' F4' 51(2) . . . . ? F3' C1' C2' F4' 167.2(16) . . . . ? F2' C1' C2' F5' 171.6(17) . . . . ? F1' C1' C2' F5' -62.1(19) . . . . ? F3' C1' C2' F5' 53.9(16) . . . . ? F2' C1' C2' C3 48.7(19) . . . . ? F1' C1' C2' C3 175.0(15) . . . . ? F3' C1' C2' C3 -69.0(15) . . . . ? O1 C3 C2' F4' 15(3) . . . . ? C4 C3 C2' F4' -132.3(19) . . . . ? C2 C3 C2' F4' 102(2) . . . . ? O1 C3 C2' F5' 158.2(18) . . . . ? C4 C3 C2' F5' 11(3) . . . . ? C2 C3 C2' F5' -115(2) . . . . ? O1 C3 C2' C1' -102.1(17) . . . . ? C4 C3 C2' C1' 110.9(16) . . . . ? C2 C3 C2' C1' -15.2(13) . . . . ? Eu1 O7 P1 C55 -85.7(11) . . . . ? Eu1 O7 P1 C61 35.6(12) . . . . ? Eu1 O7 P1 C67 156.0(10) . . . . ? C60 C55 P1 O7 -16.9(10) . . . . ? C56 C55 P1 O7 165.0(9) . . . . ? C60 C55 P1 C61 -140.6(9) . . . . ? C56 C55 P1 C61 41.3(10) . . . . ? C60 C55 P1 C67 104.5(10) . . . . ? C56 C55 P1 C67 -73.6(10) . . . . ? C62 C61 P1 O7 163.2(8) . . . . ? C66 C61 P1 O7 -16.9(9) . . . . ? C62 C61 P1 C55 -73.3(10) . . . . ? C66 C61 P1 C55 106.5(9) . . . . ? C62 C61 P1 C67 40.7(10) . . . . ? C66 C61 P1 C67 -139.5(8) . . . . ? C68 C67 P1 O7 121.1(8) . . . . ? C72 C67 P1 O7 -52.3(8) . . . . ? C68 C67 P1 C55 -0.6(10) . . . . ? C72 C67 P1 C55 -173.9(8) . . . . ? C68 C67 P1 C61 -115.8(9) . . . . ? C72 C67 P1 C61 70.8(8) . . . . ? Eu1 O8 P2 C78 131(6) . . . . ? Eu1 O8 P2 C79 9(6) . . . . ? Eu1 O8 P2 C85 -110(6) . . . . ? C73 C78 P2 O8 -58.3(8) . . . . ? C77 C78 P2 O8 121.8(8) . . . . ? C73 C78 P2 C79 67.1(8) . . . . ? C77 C78 P2 C79 -112.8(8) . . . . ? C73 C78 P2 C85 179.5(7) . . . . ? C77 C78 P2 C85 -0.4(9) . . . . ? C84 C79 P2 O8 -49.2(10) . . . . ? C80 C79 P2 O8 132.2(9) . . . . ? C84 C79 P2 C78 -175.4(8) . . . . ? C80 C79 P2 C78 6.0(10) . . . . ? C84 C79 P2 C85 72.4(9) . . . . ? C80 C79 P2 C85 -106.2(10) . . . . ? C90 C85 P2 O8 -29.5(12) . . . . ? C86 C85 P2 O8 153.3(10) . . . . ? C90 C85 P2 C78 94.7(11) . . . . ? C86 C85 P2 C78 -82.4(11) . . . . ? C90 C85 P2 C79 -152.3(11) . . . . ? C86 C85 P2 C79 30.5(12) . . . . ? C21 O3 Eu1 O2 58.1(17) . . . . ? C21 O3 Eu1 O5 -83.4(17) . . . . ? C21 O3 Eu1 O7 167.3(15) . . . . ? C21 O3 Eu1 O6 -152.3(17) . . . . ? C21 O3 Eu1 O8 -17.8(19) . . . . ? C21 O3 Eu1 O4 -10.6(16) . . . . ? C21 O3 Eu1 O1 125.1(17) . . . . ? C5 O2 Eu1 O3 28.6(12) . . . . ? C5 O2 Eu1 O5 120.3(12) . . . . ? C5 O2 Eu1 O7 -108.9(12) . . . . ? C5 O2 Eu1 O6 -30.6(14) . . . . ? C5 O2 Eu1 O8 176.9(12) . . . . ? C5 O2 Eu1 O4 97.0(12) . . . . ? C5 O2 Eu1 O1 -41.5(12) . . . . ? C39 O5 Eu1 O3 -47.4(7) . . . . ? C39 O5 Eu1 O2 -139.6(7) . . . . ? C39 O5 Eu1 O7 89.9(7) . . . . ? C39 O5 Eu1 O6 23.6(7) . . . . ? C39 O5 Eu1 O8 162.7(8) . . . . ? C39 O5 Eu1 O4 -116.7(8) . . . . ? C39 O5 Eu1 O1 8.5(10) . . . . ? P1 O7 Eu1 O3 81.4(11) . . . . ? P1 O7 Eu1 O2 -173.9(11) . . . . ? P1 O7 Eu1 O5 -22.8(11) . . . . ? P1 O7 Eu1 O6 41.2(10) . . . . ? P1 O7 Eu1 O8 -95.9(11) . . . . ? P1 O7 Eu1 O4 -103.3(11) . . . . ? P1 O7 Eu1 O1 122.9(11) . . . . ? C41 O6 Eu1 O3 73.4(10) . . . . ? C41 O6 Eu1 O2 137.9(10) . . . . ? C41 O6 Eu1 O5 -23.4(10) . . . . ? C41 O6 Eu1 O7 -134.8(10) . . . . ? C41 O6 Eu1 O8 -77.6(11) . . . . ? C41 O6 Eu1 O4 26.7(11) . . . . ? C41 O6 Eu1 O1 148.2(10) . . . . ? P2 O8 Eu1 O3 85(6) . . . . ? P2 O8 Eu1 O2 6(6) . . . . ? P2 O8 Eu1 O5 154(6) . . . . ? P2 O8 Eu1 O7 -98(6) . . . . ? P2 O8 Eu1 O6 -154(6) . . . . ? P2 O8 Eu1 O4 78(6) . . . . ? P2 O8 Eu1 O1 -44(6) . . . . ? C23 O4 Eu1 O3 10.4(9) . . . . ? C23 O4 Eu1 O2 -88.4(9) . . . . ? C23 O4 Eu1 O5 106.4(9) . . . . ? C23 O4 Eu1 O7 -166.2(7) . . . . ? C23 O4 Eu1 O6 57.8(10) . . . . ? C23 O4 Eu1 O8 -173.6(9) . . . . ? C23 O4 Eu1 O1 -41.5(10) . . . . ? C3 O1 Eu1 O3 -62.9(12) . . . . ? C3 O1 Eu1 O2 35.9(11) . . . . ? C3 O1 Eu1 O5 -123.4(12) . . . . ? C3 O1 Eu1 O7 146.3(12) . . . . ? C3 O1 Eu1 O6 -137.9(12) . . . . ? C3 O1 Eu1 O8 91.4(12) . . . . ? C3 O1 Eu1 O4 -11.8(12) . . . . ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 20.97 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.478 _refine_diff_density_min -0.676 _refine_diff_density_rms 0.203 _vrf_THETM01_eudpepo ; PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550 RESPONSE: Crystal was poorly diffracting at higher values of Bragg angles. Situation did not improve even after recrystallising and collecting data on fresh crystals. There were no reflection with I>3sigma(I) for theta > 21 degrees. ; _vrf_PLAT023_eudpepo ; PROBLEM: Resolution (too) Low [sin(theta)/Lambda < 0.6].. 20.97 Deg. RESPONSE: Crystal was poorly diffracting at higher values of Bragg angles. Situation did not improve even after recrystallising and collecting data on fresh crystals. There were no reflection with I>3sigma(I) for theta > 21 degrees. ; _vrf_PLAT220_eudpepo ; PROBLEM: Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.45 Ratio RESPONSE: The portions of the molecle farther away from the center (libration center)has larger librational amplitudes as compared to those close to the center. ; _vrf_PLAT241_eudpepo ; PROBLEM: Check High Ueq as Compared to Neighbors for C15 RESPONSE: This is due to a minor disorder which could not be fixed. ; _vrf_PLAT242_eudpepo ; PROBLEM: Check Low Ueq as Compared to Neighbors for C27 RESPONSE:This is due to a minor disorder which could not be fixed. ; _vrf_PLAT234_eudpepo ; PROBLEM: Large Hirshfeld Difference F1 -- C1 .. 0.52 Ang. RESPONSE: This due to disorder. ; # end Validation Reply Form # Attachment 'rrlbijueuxpo.cif' data_rrlbijueuxpo _database_code_depnum_ccdc_archive 'CCDC 722365' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety '( C93 H62 Eu F15 O9 P2) . 2.5( C H Cl3)' _chemical_formula_sum 'C95.50 H64.50 Cl7.50 Eu F15 O9 P2' _chemical_formula_weight 2120.75 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' 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' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 14.3330(3) _cell_length_b 15.3440(3) _cell_length_c 23.9480(5) _cell_angle_alpha 86.1900(10) _cell_angle_beta 76.4390(10) _cell_angle_gamma 66.5010(10) _cell_volume 4693.17(17) _cell_formula_units_Z 2 _cell_measurement_temperature 257(2) _cell_measurement_reflns_used 9723 _cell_measurement_theta_min 2.5 _cell_measurement_theta_max 26.0 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.2 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.501 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2130 _exptl_absorpt_coefficient_mu 1.002 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.72 _exptl_absorpt_correction_T_max 0.86 _exptl_absorpt_process_details 'SADABS(Bruker, 1999)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 257(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker axs kappa apex2 CCD Diffractometer' _diffrn_measurement_method '\w and \f scan' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% 0 _diffrn_reflns_number 87492 _diffrn_reflns_av_R_equivalents 0.0364 _diffrn_reflns_av_sigmaI/netI 0.0362 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -29 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_theta_min 1.59 _diffrn_reflns_theta_max 26.31 _reflns_number_total 18809 _reflns_number_gt 15598 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'APEX2 (Bruker, 2004)' _computing_cell_refinement 'APEX2/SAINT (Bruker, 2004)' _computing_data_reduction 'SAINT/XPREP (Bruker, 2004)' _computing_structure_solution 'SIR92 (Altornare et al., 1993)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)' _computing_publication_material 'SHELXL-97 (Sheldrick, 1997)' _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^)+(0.1074P)^2^+7.7981P] 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 SHELXL _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 18809 _refine_ls_number_parameters 1177 _refine_ls_number_restraints 14 _refine_ls_R_factor_all 0.0729 _refine_ls_R_factor_gt 0.0586 _refine_ls_wR_factor_ref 0.1795 _refine_ls_wR_factor_gt 0.1673 _refine_ls_goodness_of_fit_ref 1.058 _refine_ls_restrained_S_all 1.061 _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 C1 C 0.9398(10) 0.2151(15) 0.1625(8) 0.188(9) Uani 1 1 d . . . C1O C 0.5430(7) 0.3918(5) -0.0461(3) 0.0743(19) Uani 1 1 d . . . C2 C 0.8876(6) 0.2310(7) 0.1186(4) 0.099(3) Uani 1 1 d . . . C3 C 0.7721(5) 0.2463(5) 0.1318(3) 0.0661(16) Uani 1 1 d . . . C4 C 0.7173(5) 0.2818(5) 0.0889(3) 0.0702(18) Uani 1 1 d . . . H4 H 0.7513 0.2983 0.0544 0.084 Uiso 1 1 calc R . . C5 C 0.6137(5) 0.2939(4) 0.0951(2) 0.0539(13) Uani 1 1 d . . . C6 C 0.5557(5) 0.3344(4) 0.0476(2) 0.0597(15) Uani 1 1 d . . . C7 C 0.4522(5) 0.3454(5) 0.0590(3) 0.0717(18) Uani 1 1 d . . . H7 H 0.4214 0.3306 0.0950 0.086 Uiso 1 1 calc R . . C8 C 0.3937(7) 0.3781(6) 0.0174(3) 0.084(2) Uani 1 1 d . . . H8 H 0.3248 0.3839 0.0248 0.101 Uiso 1 1 calc R . . C9 C 0.4402(6) 0.4013(4) -0.0342(3) 0.0694(18) Uani 1 1 d . . . C11 C 0.6010(6) 0.3592(5) -0.0042(3) 0.0713(18) Uani 1 1 d . . . H11 H 0.6695 0.3545 -0.0115 0.086 Uiso 1 1 calc R . . C12 C 0.5720(7) 0.4211(6) -0.1054(3) 0.092(2) Uani 1 1 d . . . H12A H 0.6283 0.3684 -0.1285 0.111 Uiso 1 1 calc R . . H12B H 0.5940 0.4732 -0.1056 0.111 Uiso 1 1 calc R . . C13 C 0.4749(7) 0.4515(5) -0.1277(4) 0.083(2) Uani 1 1 d . . . C14 C 0.3996(7) 0.4384(4) -0.0862(3) 0.072(2) Uani 1 1 d . . . C15 C 0.2997(8) 0.4598(5) -0.0959(3) 0.086(2) Uani 1 1 d . . . H15 H 0.2477 0.4499 -0.0681 0.104 Uiso 1 1 calc R . . C16 C 0.2827(9) 0.4962(5) -0.1488(4) 0.096(3) Uani 1 1 d . . . H16 H 0.2180 0.5118 -0.1573 0.115 Uiso 1 1 calc R . . C17 C 0.3615(10) 0.5090(6) -0.1882(4) 0.102(3) Uani 1 1 d . . . H17 H 0.3481 0.5344 -0.2233 0.123 Uiso 1 1 calc R . . C18 C 0.4543(9) 0.4879(7) -0.1797(4) 0.105(3) Uani 1 1 d . . . H18 H 0.5058 0.4971 -0.2081 0.126 Uiso 1 1 calc R . . C19 C 0.8357(8) -0.0367(9) 0.0536(3) 0.103(3) Uani 1 1 d . . . C21 C 0.7640(4) -0.0136(4) 0.1628(2) 0.0519(13) Uani 1 1 d . . . C22 C 0.8227(4) -0.0423(4) 0.2028(2) 0.0536(13) Uani 1 1 d . . . H22 H 0.8807 -0.0997 0.1963 0.064 Uiso 1 1 calc R . . C23 C 0.8000(4) 0.0109(4) 0.2540(2) 0.0432(11) Uani 1 1 d . . . C24 C 0.8687(4) -0.0278(4) 0.2959(2) 0.0439(11) Uani 1 1 d . . . C25 C 0.8809(4) 0.0353(4) 0.3291(2) 0.0486(12) Uani 1 1 d . . . H25 H 0.8492 0.1002 0.3236 0.058 Uiso 1 1 calc R . . C26 C 0.9395(4) 0.0038(4) 0.3704(3) 0.0506(12) Uani 1 1 d . . . H26 H 0.9487 0.0467 0.3920 0.061 Uiso 1 1 calc R . . C27 C 0.9839(4) -0.0928(4) 0.3788(2) 0.0446(11) Uani 1 1 d . . . C28 C 0.9701(4) -0.1563(4) 0.3463(2) 0.0486(12) Uani 1 1 d . . . C29 C 0.9152(4) -0.1245(4) 0.3039(2) 0.0488(12) Uani 1 1 d . . . H29 H 0.9093 -0.1676 0.2808 0.059 Uiso 1 1 calc R . . C30 C 1.0214(5) -0.2559(4) 0.3657(3) 0.0648(16) Uani 1 1 d . . . H30A H 0.9710 -0.2846 0.3786 0.078 Uiso 1 1 calc R . . H30B H 1.0768 -0.2955 0.3350 0.078 Uiso 1 1 calc R . . C31 C 1.0643(5) -0.2426(4) 0.4143(3) 0.0575(14) Uani 1 1 d . . . C32 C 1.0439(4) -0.1454(4) 0.4205(2) 0.0503(12) Uani 1 1 d . . . C33 C 1.0804(4) -0.1159(5) 0.4610(3) 0.0608(15) Uani 1 1 d . . . H33 H 1.0690 -0.0522 0.4644 0.073 Uiso 1 1 calc R . . C34 C 1.1329(5) -0.1805(6) 0.4958(3) 0.0748(19) Uani 1 1 d . . . H34 H 1.1572 -0.1608 0.5233 0.090 Uiso 1 1 calc R . . C35 C 1.1509(6) -0.2762(6) 0.4909(3) 0.082(2) Uani 1 1 d . . . H35 H 1.1855 -0.3197 0.5157 0.098 Uiso 1 1 calc R . . C36 C 1.1177(6) -0.3062(5) 0.4499(3) 0.0750(19) Uani 1 1 d . . . H36 H 1.1316 -0.3704 0.4460 0.090 Uiso 1 1 calc R . . C37 C 0.2246(7) 0.5021(7) 0.2508(4) 0.095(3) Uani 1 1 d . . . C38 C 0.2610(5) 0.4478(4) 0.3012(3) 0.0645(16) Uani 1 1 d . . . C39 C 0.3805(4) 0.3914(4) 0.2928(2) 0.0499(12) Uani 1 1 d . . . C40 C 0.4296(5) 0.4171(4) 0.3274(3) 0.0575(14) Uani 1 1 d . . . H40 H 0.3895 0.4630 0.3565 0.069 Uiso 1 1 calc R . . C41 C 0.5385(5) 0.3765(4) 0.3204(2) 0.0488(12) Uani 1 1 d . . . C42 C 0.5882(5) 0.4171(4) 0.3544(2) 0.0525(13) Uani 1 1 d . . . C43 C 0.5322(5) 0.4747(4) 0.4031(2) 0.0588(14) Uani 1 1 d . . . H43 H 0.4611 0.4887 0.4158 0.071 Uiso 1 1 calc R . . C44 C 0.5800(5) 0.5123(5) 0.4336(3) 0.0647(16) Uani 1 1 d . . . H44 H 0.5424 0.5505 0.4665 0.078 Uiso 1 1 calc R . . C45 C 0.6847(5) 0.4909(4) 0.4133(3) 0.0568(14) Uani 1 1 d . . . C46 C 0.7424(5) 0.4343(4) 0.3656(3) 0.0602(15) Uani 1 1 d . . . C47 C 0.6934(5) 0.3950(4) 0.3352(3) 0.0591(14) Uani 1 1 d . . . H47 H 0.7318 0.3553 0.3030 0.071 Uiso 1 1 calc R . . C48 C 0.8496(6) 0.4270(6) 0.3522(4) 0.079(2) Uani 1 1 d . . . H48A H 0.8670 0.4519 0.3147 0.095 Uiso 1 1 calc R . . H48B H 0.8983 0.3616 0.3531 0.095 Uiso 1 1 calc R . . C49 C 0.8509(6) 0.4866(6) 0.3989(4) 0.079(2) Uani 1 1 d . . . C50 C 0.7543(5) 0.5242(4) 0.4360(3) 0.0627(16) Uani 1 1 d . . . C51 C 0.7336(7) 0.5811(5) 0.4824(4) 0.085(2) Uani 1 1 d . . . H51 H 0.6679 0.6052 0.5071 0.102 Uiso 1 1 calc R . . C52 C 0.8168(10) 0.6017(7) 0.4912(5) 0.109(3) Uani 1 1 d . . . H52 H 0.8067 0.6403 0.5222 0.130 Uiso 1 1 calc R . . C53 C 0.9122(9) 0.5646(7) 0.4537(5) 0.105(3) Uani 1 1 d . . . H53 H 0.9665 0.5790 0.4595 0.126 Uiso 1 1 calc R . . C54 C 0.9296(7) 0.5078(7) 0.4087(5) 0.103(3) Uani 1 1 d . . . H54 H 0.9955 0.4829 0.3842 0.124 Uiso 1 1 calc R . . C55 C 0.5349(4) 0.1576(3) 0.4256(2) 0.0398(10) Uani 1 1 d . . . C56 C 0.4822(4) 0.1676(4) 0.4825(2) 0.0511(13) Uani 1 1 d . . . H56 H 0.4281 0.1469 0.4943 0.061 Uiso 1 1 calc R . . C57 C 0.5104(5) 0.2085(5) 0.5217(2) 0.0632(16) Uani 1 1 d . . . H57 H 0.4754 0.2143 0.5601 0.076 Uiso 1 1 calc R . . C58 C 0.5884(5) 0.2406(4) 0.5053(3) 0.0632(16) Uani 1 1 d . . . H58 H 0.6075 0.2671 0.5323 0.076 Uiso 1 1 calc R . . C59 C 0.6378(5) 0.2332(5) 0.4490(3) 0.0615(15) Uani 1 1 d . . . H59 H 0.6897 0.2568 0.4375 0.074 Uiso 1 1 calc R . . C60 C 0.6131(4) 0.1916(4) 0.4082(2) 0.0494(12) Uani 1 1 d . . . H60 H 0.6483 0.1865 0.3698 0.059 Uiso 1 1 calc R . . C61 C 0.3765(4) 0.1072(4) 0.3988(2) 0.0412(10) Uani 1 1 d . . . C62 C 0.3595(5) 0.0371(5) 0.4334(3) 0.0574(14) Uani 1 1 d . . . H62 H 0.4155 -0.0162 0.4406 0.069 Uiso 1 1 calc R . . C63 C 0.2580(7) 0.0469(7) 0.4571(3) 0.082(2) Uani 1 1 d . . . H63 H 0.2467 -0.0005 0.4804 0.098 Uiso 1 1 calc R . . C64 C 0.1747(6) 0.1230(6) 0.4476(3) 0.081(2) Uani 1 1 d . . . H64 H 0.1070 0.1290 0.4645 0.097 Uiso 1 1 calc R . . C65 C 0.1927(6) 0.1908(6) 0.4124(4) 0.093(3) Uani 1 1 d . . . H65 H 0.1362 0.2431 0.4048 0.111 Uiso 1 1 calc R . . C66 C 0.2931(5) 0.1835(5) 0.3877(3) 0.0681(17) Uani 1 1 d . . . H66 H 0.3037 0.2305 0.3636 0.082 Uiso 1 1 calc R . . C67 C 0.5943(4) -0.0178(3) 0.36379(19) 0.0395(10) Uani 1 1 d . . . C68 C 0.6547(4) -0.0540(4) 0.4043(2) 0.0483(12) Uani 1 1 d . . . H68 H 0.6517 -0.0135 0.4325 0.058 Uiso 1 1 calc R . . C69 C 0.7188(4) -0.1490(4) 0.4032(2) 0.0537(13) Uani 1 1 d . . . H69 H 0.7591 -0.1726 0.4303 0.064 Uiso 1 1 calc R . . C70 C 0.7226(4) -0.2077(4) 0.3619(2) 0.0553(14) Uani 1 1 d . . . H70 H 0.7654 -0.2719 0.3617 0.066 Uiso 1 1 calc R . . C71 C 0.6645(4) -0.1750(4) 0.3196(2) 0.0476(12) Uani 1 1 d . . . C72 C 0.6023(4) -0.0789(3) 0.3209(2) 0.0405(10) Uani 1 1 d . . . C73 C 0.5437(4) -0.0945(3) 0.2381(2) 0.0426(11) Uani 1 1 d . . . C74 C 0.5994(5) -0.1927(4) 0.2354(2) 0.0525(13) Uani 1 1 d . . . C75 C 0.6699(5) -0.2435(4) 0.2748(3) 0.0571(14) Uani 1 1 d . . . C76 C 0.6398(7) -0.3235(5) 0.3058(4) 0.086(2) Uani 1 1 d . . . H76A H 0.5680 -0.2970 0.3263 0.130 Uiso 1 1 calc R . . H76B H 0.6835 -0.3528 0.3323 0.130 Uiso 1 1 calc R . . H76C H 0.6493 -0.3703 0.2780 0.130 Uiso 1 1 calc R . . C77 C 0.7854(6) -0.2875(5) 0.2385(3) 0.084(2) Uani 1 1 d . . . H77A H 0.7907 -0.3309 0.2097 0.126 Uiso 1 1 calc R . . H77B H 0.8312 -0.3210 0.2633 0.126 Uiso 1 1 calc R . . H77C H 0.8048 -0.2377 0.2204 0.126 Uiso 1 1 calc R . . C78 C 0.5905(6) -0.2438(4) 0.1922(3) 0.0667(17) Uani 1 1 d . . . H78 H 0.6276 -0.3093 0.1889 0.080 Uiso 1 1 calc R . . C79 C 0.5281(6) -0.1996(4) 0.1544(3) 0.0715(19) Uani 1 1 d . . . H79 H 0.5199 -0.2357 0.1276 0.086 Uiso 1 1 calc R . . C80 C 0.4782(5) -0.1026(4) 0.1562(2) 0.0575(14) Uani 1 1 d . . . H80 H 0.4397 -0.0731 0.1289 0.069 Uiso 1 1 calc R . . C81 C 0.4841(4) -0.0478(4) 0.1978(2) 0.0453(11) Uani 1 1 d . . . C82 C 0.4038(4) 0.1022(4) 0.1217(2) 0.0466(12) Uani 1 1 d . . . C83 C 0.4897(5) 0.1041(5) 0.0814(2) 0.0632(15) Uani 1 1 d . . . H83 H 0.5510 0.0946 0.0925 0.076 Uiso 1 1 calc R . . C84 C 0.4842(7) 0.1202(6) 0.0247(3) 0.088(2) Uani 1 1 d . . . H84 H 0.5420 0.1202 -0.0027 0.105 Uiso 1 1 calc R . . C85 C 0.3920(9) 0.1362(6) 0.0089(3) 0.096(3) Uani 1 1 d . . . H85 H 0.3876 0.1480 -0.0292 0.116 Uiso 1 1 calc R . . C86 C 0.3092(7) 0.1347(7) 0.0481(4) 0.096(3) Uani 1 1 d . . . H86 H 0.2479 0.1449 0.0369 0.115 Uiso 1 1 calc R . . C87 C 0.3132(6) 0.1184(5) 0.1048(3) 0.0730(18) Uani 1 1 d . . . H87 H 0.2546 0.1182 0.1316 0.088 Uiso 1 1 calc R . . C88 C 0.2871(4) 0.1113(4) 0.2369(2) 0.0473(12) Uani 1 1 d . . . C89 C 0.2431(5) 0.0469(5) 0.2537(4) 0.082(2) Uani 1 1 d . . . H89 H 0.2832 -0.0177 0.2463 0.098 Uiso 1 1 calc R . . C90 C 0.1400(7) 0.0775(7) 0.2814(5) 0.115(4) Uani 1 1 d . . . H90 H 0.1105 0.0330 0.2921 0.139 Uiso 1 1 calc R . . C91 C 0.0808(6) 0.1696(7) 0.2932(5) 0.105(3) Uani 1 1 d . . . H91 H 0.0111 0.1888 0.3125 0.126 Uiso 1 1 calc R . . C92 C 0.1229(6) 0.2355(6) 0.2769(5) 0.107(3) Uani 1 1 d . . . H92 H 0.0819 0.2998 0.2851 0.128 Uiso 1 1 calc R . . C93 C 0.2276(5) 0.2063(5) 0.2478(4) 0.080(2) Uani 1 1 d . . . H93 H 0.2565 0.2509 0.2360 0.096 Uiso 1 1 calc R . . C94 C 0.3442(11) 0.7715(5) 0.3092(6) 0.225(10) Uani 1 1 d D . . H94 H 0.4062 0.7623 0.2784 0.270 Uiso 1 1 calc R . . C96 C 1.0234(18) 0.5081(13) 0.1004(8) 0.27(2) Uiso 0.50 1 d PD . . H96 H 0.9560 0.5183 0.0922 0.329 Uiso 0.50 1 calc PR . . 20 C 0.7972(5) -0.0781(5) 0.1091(3) 0.0675(17) Uani 1 1 d . . . O1 O 0.7411(3) 0.2204(3) 0.17956(18) 0.0636(11) Uani 1 1 d . . . O2 O 0.5616(3) 0.2739(3) 0.14026(15) 0.0524(9) Uani 1 1 d . . . O3 O 0.6834(3) 0.0590(3) 0.16296(16) 0.0575(10) Uani 1 1 d . . . O4 O 0.7253(3) 0.0888(2) 0.26725(14) 0.0454(8) Uani 1 1 d . . . O5 O 0.4173(3) 0.3301(2) 0.25419(16) 0.0486(8) Uani 1 1 d . . . O6 O 0.5998(3) 0.3092(3) 0.28506(16) 0.0508(9) Uani 1 1 d . . . O7 O 0.5092(3) 0.1609(2) 0.31766(13) 0.0420(7) Uani 1 1 d . . . O8 O 0.4703(3) 0.1356(2) 0.21145(14) 0.0434(8) Uani 1 1 d . . . O9 O 0.5429(3) -0.0383(2) 0.28114(14) 0.0437(8) Uani 1 1 d . . . F1 F 1.0391(5) 0.2035(7) 0.1418(4) 0.194(4) Uani 1 1 d . . . F1O F 0.7168(4) -0.0972(4) 0.1018(2) 0.1029(16) Uani 1 1 d . . . F2 F 0.8825(5) 0.3063(6) 0.1909(4) 0.158(3) Uani 1 1 d . . . F3 F 0.9408(5) 0.1462(7) 0.1952(4) 0.178(4) Uani 1 1 d . . . F4 F 0.9063(4) 0.2967(5) 0.0826(3) 0.148(3) Uani 1 1 d . . . F5 F 0.9482(5) 0.1349(7) 0.0894(4) 0.205(5) Uani 1 1 d . . . F6 F 0.7588(7) 0.0375(6) 0.0420(2) 0.170(3) Uani 1 1 d . . . F7 F 0.8706(4) -0.0993(5) 0.0112(2) 0.136(2) Uani 1 1 d . . . F8 F 0.9106(7) -0.0162(7) 0.0586(3) 0.187(4) Uani 1 1 d . . . F9 F 0.8733(4) -0.1634(4) 0.1140(2) 0.121(2) Uani 1 1 d . . . F11 F 0.1228(4) 0.5520(4) 0.2634(3) 0.131(2) Uani 1 1 d . . . F12 F 0.2701(6) 0.5598(5) 0.2355(4) 0.171(3) Uani 1 1 d . . . F13 F 0.2464(5) 0.4451(5) 0.2072(3) 0.167(3) Uani 1 1 d . . . F14 F 0.2113(3) 0.3878(3) 0.3147(3) 0.1008(16) Uani 1 1 d . . . F15 F 0.2200(3) 0.5117(3) 0.3464(2) 0.0968(14) Uani 1 1 d . . . P1 P 0.50448(9) 0.10565(9) 0.37053(5) 0.0360(3) Uani 1 1 d . . . P2 P 0.41708(10) 0.07960(9) 0.19470(5) 0.0375(3) Uani 1 1 d . . . Eu1 Eu 0.587243(17) 0.197269(16) 0.225858(9) 0.03466(10) Uani 1 1 d . . . Cl1 Cl 0.3773(4) 0.6635(2) 0.3415(3) 0.199(2) Uani 1 1 d D . . Cl2 Cl 0.3396(3) 0.8588(2) 0.35210(12) 0.1223(9) Uani 1 1 d D . . Cl3 Cl 0.2484(4) 0.8016(3) 0.27356(18) 0.1616(14) Uani 1 1 d D . . C95 C 0.1417(11) 0.8788(10) 0.1221(6) 0.273(11) Uiso 1 1 d D A 1 H95 H 0.0886 0.9412 0.1369 0.328 Uiso 1 1 calc R A 1 Cl4 Cl 0.2686(7) 0.8709(7) 0.0999(5) 0.274(2) Uani 0.771(8) 1 d PD A 1 Cl5 Cl 0.1189(8) 0.9530(8) 0.1786(5) 0.274(2) Uani 0.639(8) 1 d PD B 2 Cl6 Cl 0.1285(5) 0.7793(6) 0.1588(4) 0.274(2) Uani 0.967(8) 1 d PD . . Cl7 Cl 0.1383(8) 0.8420(8) 0.0570(5) 0.274(2) Uani 0.621(8) 1 d PD . . Cl8 Cl 1.0041(12) 0.5225(17) 0.1739(8) 0.67(3) Uani 0.50 1 d PD . . Cl9 Cl 1.1083(15) 0.3926(10) 0.0791(9) 0.53(2) Uani 0.50 1 d PD . . Cl10 Cl 1.066(3) 0.5912(11) 0.0628(11) 0.63(3) Uani 0.50 1 d PD . . 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 C1 0.083(8) 0.28(2) 0.239(18) 0.162(18) -0.084(10) -0.106(11) C1O 0.110(6) 0.056(4) 0.048(3) 0.007(3) -0.015(4) -0.027(4) C2 0.067(5) 0.139(8) 0.097(6) 0.045(6) -0.011(4) -0.058(5) C3 0.051(3) 0.074(4) 0.069(4) 0.014(3) -0.002(3) -0.028(3) C4 0.073(4) 0.090(5) 0.044(3) 0.027(3) -0.007(3) -0.036(4) C5 0.067(4) 0.051(3) 0.042(3) 0.009(2) -0.012(3) -0.022(3) C6 0.081(4) 0.049(3) 0.040(3) 0.007(2) -0.012(3) -0.018(3) C7 0.070(4) 0.082(5) 0.057(4) 0.022(3) -0.021(3) -0.024(4) C8 0.092(5) 0.088(5) 0.072(5) 0.019(4) -0.036(4) -0.028(4) C9 0.099(5) 0.051(3) 0.056(4) 0.007(3) -0.030(4) -0.021(3) C11 0.085(5) 0.067(4) 0.054(4) 0.010(3) -0.013(3) -0.024(4) C12 0.118(7) 0.092(6) 0.059(4) 0.022(4) -0.021(4) -0.037(5) C13 0.114(6) 0.069(4) 0.072(5) 0.009(4) -0.034(5) -0.035(4) C14 0.125(6) 0.038(3) 0.053(4) 0.008(3) -0.045(4) -0.019(3) C15 0.126(7) 0.064(4) 0.066(4) 0.007(3) -0.028(4) -0.032(4) C16 0.142(8) 0.052(4) 0.103(6) 0.012(4) -0.076(6) -0.024(5) C17 0.179(11) 0.077(5) 0.070(5) 0.023(4) -0.047(6) -0.062(6) C18 0.144(9) 0.102(7) 0.086(6) 0.035(5) -0.053(6) -0.057(6) C19 0.097(6) 0.155(9) 0.044(4) -0.026(5) -0.001(4) -0.040(6) C21 0.044(3) 0.062(3) 0.041(3) -0.007(2) -0.008(2) -0.012(3) C22 0.046(3) 0.052(3) 0.046(3) -0.004(2) -0.009(2) -0.003(2) C23 0.040(3) 0.048(3) 0.040(3) 0.011(2) -0.012(2) -0.015(2) C24 0.037(2) 0.046(3) 0.045(3) 0.003(2) -0.007(2) -0.014(2) C25 0.046(3) 0.045(3) 0.056(3) 0.006(2) -0.017(2) -0.018(2) C26 0.048(3) 0.047(3) 0.060(3) -0.001(2) -0.019(2) -0.018(2) C27 0.037(2) 0.048(3) 0.048(3) 0.003(2) -0.013(2) -0.015(2) C28 0.046(3) 0.046(3) 0.053(3) 0.003(2) -0.015(2) -0.015(2) C29 0.049(3) 0.042(3) 0.054(3) 0.001(2) -0.018(2) -0.013(2) C30 0.072(4) 0.051(3) 0.080(4) 0.013(3) -0.040(3) -0.021(3) C31 0.056(3) 0.055(3) 0.061(4) 0.005(3) -0.026(3) -0.014(3) C32 0.039(3) 0.059(3) 0.052(3) 0.006(2) -0.014(2) -0.017(2) C33 0.050(3) 0.071(4) 0.064(4) -0.005(3) -0.021(3) -0.020(3) C34 0.065(4) 0.095(5) 0.066(4) -0.003(4) -0.033(3) -0.022(4) C35 0.075(5) 0.096(6) 0.078(5) 0.019(4) -0.045(4) -0.024(4) C36 0.075(4) 0.067(4) 0.090(5) 0.023(4) -0.043(4) -0.024(3) C37 0.073(5) 0.092(6) 0.092(6) -0.003(5) -0.035(4) 0.005(4) C38 0.059(4) 0.046(3) 0.082(4) -0.011(3) -0.016(3) -0.013(3) C39 0.053(3) 0.040(3) 0.056(3) -0.001(2) -0.016(2) -0.016(2) C40 0.059(3) 0.055(3) 0.056(3) -0.008(3) -0.017(3) -0.015(3) C41 0.063(3) 0.046(3) 0.044(3) 0.006(2) -0.017(2) -0.026(3) C42 0.069(4) 0.046(3) 0.046(3) 0.010(2) -0.023(3) -0.022(3) C43 0.062(4) 0.069(4) 0.049(3) -0.003(3) -0.012(3) -0.029(3) C44 0.071(4) 0.068(4) 0.057(4) -0.008(3) -0.017(3) -0.026(3) C45 0.071(4) 0.046(3) 0.053(3) 0.011(2) -0.023(3) -0.020(3) C46 0.055(3) 0.060(3) 0.061(4) 0.013(3) -0.014(3) -0.020(3) C47 0.077(4) 0.055(3) 0.057(3) 0.016(3) -0.029(3) -0.033(3) C48 0.073(4) 0.084(5) 0.091(5) -0.003(4) -0.023(4) -0.038(4) C49 0.082(5) 0.079(5) 0.092(5) 0.021(4) -0.041(4) -0.039(4) C50 0.076(4) 0.057(3) 0.074(4) 0.022(3) -0.041(4) -0.034(3) C51 0.109(6) 0.074(5) 0.092(5) 0.007(4) -0.052(5) -0.040(4) C52 0.160(10) 0.095(6) 0.108(7) 0.012(5) -0.079(7) -0.063(7) C53 0.110(7) 0.115(7) 0.137(9) 0.021(6) -0.076(7) -0.069(6) C54 0.085(6) 0.128(8) 0.119(8) 0.019(6) -0.040(5) -0.057(6) C55 0.044(3) 0.042(3) 0.034(2) 0.0064(19) -0.013(2) -0.017(2) C56 0.060(3) 0.065(3) 0.033(2) -0.004(2) -0.006(2) -0.031(3) C57 0.077(4) 0.080(4) 0.036(3) -0.008(3) -0.011(3) -0.034(3) C58 0.084(4) 0.061(4) 0.058(4) 0.008(3) -0.042(3) -0.031(3) C59 0.064(4) 0.079(4) 0.064(4) 0.024(3) -0.037(3) -0.042(3) C60 0.051(3) 0.069(3) 0.040(3) 0.019(2) -0.022(2) -0.031(3) C61 0.046(3) 0.048(3) 0.033(2) -0.003(2) -0.006(2) -0.023(2) C62 0.058(3) 0.070(4) 0.054(3) 0.013(3) -0.013(3) -0.037(3) C63 0.094(6) 0.122(7) 0.062(4) 0.021(4) -0.014(4) -0.081(6) C64 0.058(4) 0.112(6) 0.080(5) -0.008(4) 0.000(4) -0.048(4) C65 0.049(4) 0.089(5) 0.130(7) -0.001(5) -0.020(4) -0.017(4) C66 0.050(3) 0.061(4) 0.089(5) 0.007(3) -0.012(3) -0.019(3) C67 0.041(2) 0.046(3) 0.028(2) 0.0072(19) -0.0051(18) -0.015(2) C68 0.047(3) 0.057(3) 0.033(2) 0.010(2) -0.008(2) -0.015(2) C69 0.054(3) 0.057(3) 0.041(3) 0.013(2) -0.014(2) -0.012(3) C70 0.055(3) 0.042(3) 0.051(3) 0.009(2) -0.008(3) -0.004(2) C71 0.049(3) 0.042(3) 0.042(3) 0.006(2) -0.006(2) -0.011(2) C72 0.044(3) 0.042(3) 0.033(2) 0.0078(19) -0.0055(19) -0.016(2) C73 0.052(3) 0.041(3) 0.032(2) 0.0002(19) -0.004(2) -0.019(2) C74 0.068(4) 0.040(3) 0.042(3) 0.002(2) -0.007(2) -0.017(3) C75 0.071(4) 0.039(3) 0.052(3) 0.001(2) -0.011(3) -0.014(3) C76 0.133(7) 0.049(4) 0.093(5) 0.029(4) -0.052(5) -0.043(4) C77 0.076(5) 0.073(4) 0.073(5) -0.015(4) -0.010(4) 0.001(4) C78 0.095(5) 0.039(3) 0.059(4) -0.003(3) -0.015(3) -0.019(3) C79 0.113(6) 0.049(3) 0.059(4) -0.010(3) -0.029(4) -0.031(4) C80 0.081(4) 0.053(3) 0.046(3) -0.001(2) -0.022(3) -0.030(3) C81 0.052(3) 0.043(3) 0.043(3) 0.001(2) -0.010(2) -0.020(2) C82 0.059(3) 0.044(3) 0.041(3) 0.003(2) -0.020(2) -0.020(2) C83 0.074(4) 0.078(4) 0.041(3) 0.007(3) -0.013(3) -0.034(3) C84 0.114(6) 0.102(6) 0.044(4) 0.006(4) -0.010(4) -0.045(5) C85 0.145(8) 0.103(6) 0.052(4) 0.007(4) -0.050(5) -0.045(6) C86 0.100(6) 0.124(7) 0.078(5) 0.002(5) -0.055(5) -0.038(5) C87 0.072(4) 0.096(5) 0.062(4) 0.003(4) -0.036(3) -0.034(4) C88 0.042(3) 0.052(3) 0.049(3) -0.003(2) -0.005(2) -0.021(2) C89 0.060(4) 0.060(4) 0.110(6) -0.002(4) 0.012(4) -0.026(3) C90 0.071(5) 0.093(6) 0.169(10) -0.009(6) 0.032(6) -0.050(5) C91 0.051(4) 0.095(6) 0.157(9) -0.028(6) 0.009(5) -0.030(4) C92 0.056(4) 0.083(5) 0.161(9) -0.038(6) 0.010(5) -0.020(4) C93 0.058(4) 0.061(4) 0.109(6) -0.018(4) 0.009(4) -0.025(3) C94 0.214(16) 0.084(8) 0.45(3) 0.070(13) -0.21(2) -0.066(9) 20 0.055(3) 0.080(4) 0.054(4) -0.015(3) -0.011(3) -0.011(3) O1 0.048(2) 0.093(3) 0.054(2) 0.028(2) -0.0130(18) -0.035(2) O2 0.061(2) 0.063(2) 0.0360(18) 0.0179(16) -0.0182(16) -0.0258(19) O3 0.049(2) 0.066(2) 0.046(2) -0.0114(18) -0.0180(17) -0.0061(19) O4 0.0419(18) 0.0458(19) 0.0390(18) 0.0026(15) -0.0115(14) -0.0067(16) O5 0.052(2) 0.0437(19) 0.048(2) -0.0050(16) -0.0145(16) -0.0141(16) O6 0.062(2) 0.051(2) 0.048(2) 0.0054(17) -0.0218(18) -0.0269(18) O7 0.0496(19) 0.0465(19) 0.0281(16) 0.0075(13) -0.0092(14) -0.0180(15) O8 0.0510(19) 0.0475(19) 0.0403(18) 0.0049(15) -0.0157(15) -0.0258(16) O9 0.053(2) 0.0369(17) 0.0354(17) 0.0013(14) -0.0129(15) -0.0098(15) F1 0.083(4) 0.294(10) 0.229(8) 0.129(8) -0.067(5) -0.101(5) F1O 0.085(3) 0.141(4) 0.090(3) -0.052(3) -0.002(2) -0.055(3) F2 0.096(4) 0.135(5) 0.244(9) -0.019(6) -0.032(5) -0.047(4) F3 0.092(4) 0.246(9) 0.207(8) 0.145(7) -0.071(5) -0.078(5) F4 0.099(4) 0.222(7) 0.146(5) 0.098(5) -0.027(3) -0.101(4) F5 0.077(4) 0.239(9) 0.274(10) -0.144(8) 0.044(5) -0.060(5) F6 0.200(8) 0.165(6) 0.066(3) 0.016(4) -0.010(4) -0.005(6) F7 0.116(4) 0.209(6) 0.064(3) -0.062(4) 0.011(3) -0.051(4) F8 0.201(7) 0.341(12) 0.088(4) -0.056(5) 0.033(4) -0.205(8) F9 0.124(4) 0.094(3) 0.093(3) -0.045(3) -0.025(3) 0.018(3) F11 0.078(3) 0.111(4) 0.170(6) -0.014(4) -0.055(3) 0.013(3) F12 0.142(6) 0.143(6) 0.223(9) 0.107(6) -0.073(6) -0.051(5) F13 0.135(5) 0.183(6) 0.107(4) -0.047(4) -0.075(4) 0.049(5) F14 0.057(2) 0.071(3) 0.165(5) -0.008(3) -0.006(3) -0.025(2) F15 0.078(3) 0.092(3) 0.098(3) -0.036(3) -0.021(2) -0.005(2) P1 0.0408(6) 0.0416(6) 0.0248(5) 0.0033(5) -0.0059(5) -0.0167(5) P2 0.0420(6) 0.0405(6) 0.0331(6) 0.0008(5) -0.0108(5) -0.0181(5) Eu1 0.03669(14) 0.04129(15) 0.02687(13) 0.00522(9) -0.00870(9) -0.01610(10) Cl1 0.212(4) 0.108(2) 0.318(6) 0.077(3) -0.107(4) -0.091(3) Cl2 0.161(3) 0.1137(19) 0.1015(18) -0.0014(14) -0.0341(17) -0.0609(18) Cl3 0.209(4) 0.154(3) 0.183(3) 0.037(2) -0.092(3) -0.112(3) Cl4 0.217(4) 0.263(5) 0.335(6) 0.026(4) -0.057(4) -0.095(4) Cl5 0.217(4) 0.263(5) 0.335(6) 0.026(4) -0.057(4) -0.095(4) Cl6 0.217(4) 0.263(5) 0.335(6) 0.026(4) -0.057(4) -0.095(4) Cl7 0.217(4) 0.263(5) 0.335(6) 0.026(4) -0.057(4) -0.095(4) Cl8 0.272(18) 0.86(6) 0.58(4) -0.47(4) -0.26(2) 0.25(3) Cl9 0.46(3) 0.40(2) 0.71(4) -0.20(3) 0.28(3) -0.35(2) Cl10 1.02(8) 0.208(16) 0.59(5) -0.12(2) 0.04(5) -0.28(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 C1 F3 1.272(14) . ? C1 F1 1.334(12) . ? C1 C2 1.382(17) . ? C1 F2 1.43(2) . ? C1O C9 1.382(11) . ? C1O C11 1.393(10) . ? C1O C12 1.475(10) . ? C2 F4 1.350(9) . ? C2 F5 1.501(13) . ? C2 C3 1.534(9) . ? C3 O1 1.228(7) . ? C3 C4 1.390(9) . ? C4 C5 1.393(9) . ? C4 H4 0.9300 . ? C5 O2 1.259(6) . ? C5 C6 1.520(8) . ? C6 C11 1.364(9) . ? C6 C7 1.387(9) . ? C7 C8 1.391(9) . ? C7 H7 0.9300 . ? C8 C9 1.358(10) . ? C8 H8 0.9300 . ? C9 C14 1.482(8) . ? C11 H11 0.9300 . ? C12 C13 1.496(12) . ? C12 H12A 0.9700 . ? C12 H12B 0.9700 . ? C13 C14 1.354(12) . ? C13 C18 1.377(11) . ? C14 C15 1.407(12) . ? C15 C16 1.385(11) . ? C15 H15 0.9300 . ? C16 C17 1.364(14) . ? C16 H16 0.9300 . ? C17 C18 1.300(14) . ? C17 H17 0.9300 . ? C18 H18 0.9300 . ? C19 F8 1.265(11) . ? C19 F6 1.300(12) . ? C19 F7 1.309(10) . ? C19 20 1.515(12) . ? C21 O3 1.244(6) . ? C21 C22 1.360(8) . ? C21 20 1.538(8) . ? C22 C23 1.416(7) . ? C22 H22 0.9300 . ? C23 O4 1.243(6) . ? C23 C24 1.499(7) . ? C24 C25 1.379(7) . ? C24 C29 1.384(7) . ? C25 C26 1.385(8) . ? C25 H25 0.9300 . ? C26 C27 1.382(7) . ? C26 H26 0.9300 . ? C27 C28 1.387(7) . ? C27 C32 1.459(7) . ? C28 C29 1.376(7) . ? C28 C30 1.504(8) . ? C29 H29 0.9300 . ? C30 C31 1.499(8) . ? C30 H30A 0.9700 . ? C30 H30B 0.9700 . ? C31 C36 1.364(9) . ? C31 C32 1.411(8) . ? C32 C33 1.380(8) . ? C33 C34 1.354(9) . ? C33 H33 0.9300 . ? C34 C35 1.394(11) . ? C34 H34 0.9300 . ? C35 C36 1.362(10) . ? C35 H35 0.9300 . ? C36 H36 0.9300 . ? C37 F12 1.284(12) . ? C37 F13 1.305(10) . ? C37 F11 1.318(9) . ? C37 C38 1.495(11) . ? C38 F14 1.355(8) . ? C38 F15 1.364(7) . ? C38 C39 1.549(8) . ? C39 O5 1.228(6) . ? C39 C40 1.371(8) . ? C40 C41 1.403(8) . ? C40 H40 0.9300 . ? C41 O6 1.265(7) . ? C41 C42 1.500(8) . ? C42 C47 1.374(9) . ? C42 C43 1.385(8) . ? C43 C44 1.393(8) . ? C43 H43 0.9300 . ? C44 C45 1.371(9) . ? C44 H44 0.9300 . ? C45 C46 1.363(9) . ? C45 C50 1.501(8) . ? C46 C47 1.422(9) . ? C46 C48 1.453(9) . ? C47 H47 0.9300 . ? C48 C49 1.498(11) . ? C48 H48A 0.9700 . ? C48 H48B 0.9700 . ? C49 C54 1.364(11) . ? C49 C50 1.375(11) . ? C50 C51 1.360(10) . ? C51 C52 1.411(13) . ? C51 H51 0.9300 . ? C52 C53 1.368(14) . ? C52 H52 0.9300 . ? C53 C54 1.345(14) . ? C53 H53 0.9300 . ? C54 H54 0.9300 . ? C55 C56 1.381(7) . ? C55 C60 1.386(7) . ? C55 P1 1.802(5) . ? C56 C57 1.376(8) . ? C56 H56 0.9300 . ? C57 C58 1.362(9) . ? C57 H57 0.9300 . ? C58 C59 1.358(9) . ? C58 H58 0.9300 . ? C59 C60 1.384(8) . ? C59 H59 0.9300 . ? C60 H60 0.9300 . ? C61 C66 1.365(8) . ? C61 C62 1.377(7) . ? C61 P1 1.792(5) . ? C62 C63 1.382(9) . ? C62 H62 0.9300 . ? C63 C64 1.350(11) . ? C63 H63 0.9300 . ? C64 C65 1.361(12) . ? C64 H64 0.9300 . ? C65 C66 1.385(10) . ? C65 H65 0.9300 . ? C66 H66 0.9300 . ? C67 C72 1.390(7) . ? C67 C68 1.391(7) . ? C67 P1 1.809(5) . ? C68 C69 1.377(8) . ? C68 H68 0.9300 . ? C69 C70 1.358(8) . ? C69 H69 0.9300 . ? C70 C71 1.403(8) . ? C70 H70 0.9300 . ? C71 C72 1.384(7) . ? C71 C75 1.519(8) . ? C72 O9 1.378(6) . ? C73 O9 1.382(6) . ? C73 C74 1.394(7) . ? C73 C81 1.408(7) . ? C74 C78 1.397(8) . ? C74 C75 1.496(8) . ? C75 C76 1.547(9) . ? C75 C77 1.570(9) . ? C76 H76A 0.9600 . ? C76 H76B 0.9600 . ? C76 H76C 0.9600 . ? C77 H77A 0.9600 . ? C77 H77B 0.9600 . ? C77 H77C 0.9600 . ? C78 C79 1.376(9) . ? C78 H78 0.9300 . ? C79 C80 1.369(9) . ? C79 H79 0.9300 . ? C80 C81 1.385(7) . ? C80 H80 0.9300 . ? C81 P2 1.807(5) . ? C82 C87 1.376(8) . ? C82 C83 1.384(8) . ? C82 P2 1.798(5) . ? C83 C84 1.377(9) . ? C83 H83 0.9300 . ? C84 C85 1.383(12) . ? C84 H84 0.9300 . ? C85 C86 1.337(13) . ? C85 H85 0.9300 . ? C86 C87 1.373(10) . ? C86 H86 0.9300 . ? C87 H87 0.9300 . ? C88 C89 1.363(8) . ? C88 C93 1.370(9) . ? C88 P2 1.786(5) . ? C89 C90 1.368(10) . ? C89 H89 0.9300 . ? C90 C91 1.336(12) . ? C90 H90 0.9300 . ? C91 C92 1.365(12) . ? C91 H91 0.9300 . ? C92 C93 1.397(10) . ? C92 H92 0.9300 . ? C93 H93 0.9300 . ? C94 Cl3 1.679(8) . ? C94 Cl2 1.713(9) . ? C94 Cl1 1.715(8) . ? C94 H94 0.9800 . ? C96 Cl9 1.729(10) . ? C96 Cl8 1.731(10) . ? C96 Cl10 1.736(10) . ? C96 H96 0.9800 . ? 20 F9 1.348(8) . ? 20 F1O 1.348(8) . ? O1 Eu1 2.376(4) . ? O2 Eu1 2.325(3) . ? O3 Eu1 2.406(4) . ? O4 Eu1 2.397(3) . ? O5 Eu1 2.448(3) . ? O6 Eu1 2.383(4) . ? O7 P1 1.479(3) . ? O7 Eu1 2.362(3) . ? O8 P2 1.480(3) . ? O8 Eu1 2.325(3) . ? C95 Cl7 1.712(9) . ? C95 Cl4 1.727(10) . ? C95 Cl6 1.765(10) . ? C95 H95 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 F3 C1 F1 107.0(11) . . ? F3 C1 C2 118.2(15) . . ? F1 C1 C2 110.8(13) . . ? F3 C1 F2 113.6(16) . . ? F1 C1 F2 109.4(15) . . ? C2 C1 F2 97.5(11) . . ? C9 C1O C11 119.9(6) . . ? C9 C1O C12 109.5(7) . . ? C11 C1O C12 130.6(8) . . ? F4 C2 C1 111.3(9) . . ? F4 C2 F5 108.5(8) . . ? C1 C2 F5 97.0(12) . . ? F4 C2 C3 111.4(7) . . ? C1 C2 C3 120.5(9) . . ? F5 C2 C3 106.5(7) . . ? O1 C3 C4 128.0(6) . . ? O1 C3 C2 113.7(6) . . ? C4 C3 C2 118.2(6) . . ? C3 C4 C5 123.1(5) . . ? C3 C4 H4 118.5 . . ? C5 C4 H4 118.5 . . ? O2 C5 C4 122.7(5) . . ? O2 C5 C6 115.7(5) . . ? C4 C5 C6 121.6(5) . . ? C11 C6 C7 120.2(6) . . ? C11 C6 C5 123.1(6) . . ? C7 C6 C5 116.6(5) . . ? C6 C7 C8 121.0(7) . . ? C6 C7 H7 119.5 . . ? C8 C7 H7 119.5 . . ? C9 C8 C7 118.0(8) . . ? C9 C8 H8 121.0 . . ? C7 C8 H8 121.0 . . ? C8 C9 C1O 121.7(7) . . ? C8 C9 C14 131.1(8) . . ? C1O C9 C14 107.2(7) . . ? C6 C11 C1O 119.0(7) . . ? C6 C11 H11 120.5 . . ? C1O C11 H11 120.5 . . ? C1O C12 C13 104.9(8) . . ? C1O C12 H12A 110.8 . . ? C13 C12 H12A 110.8 . . ? C1O C12 H12B 110.8 . . ? C13 C12 H12B 110.8 . . ? H12A C12 H12B 108.8 . . ? C14 C13 C18 120.5(9) . . ? C14 C13 C12 108.3(7) . . ? C18 C13 C12 131.2(9) . . ? C13 C14 C15 120.7(6) . . ? C13 C14 C9 110.1(8) . . ? C15 C14 C9 129.3(8) . . ? C16 C15 C14 116.7(9) . . ? C16 C15 H15 121.6 . . ? C14 C15 H15 121.6 . . ? C17 C16 C15 119.5(9) . . ? C17 C16 H16 120.2 . . ? C15 C16 H16 120.2 . . ? C18 C17 C16 123.8(9) . . ? C18 C17 H17 118.1 . . ? C16 C17 H17 118.1 . . ? C17 C18 C13 118.8(10) . . ? C17 C18 H18 120.6 . . ? C13 C18 H18 120.6 . . ? F8 C19 F6 111.6(12) . . ? F8 C19 F7 107.8(8) . . ? F6 C19 F7 108.5(8) . . ? F8 C19 20 109.3(8) . . ? F6 C19 20 109.3(7) . . ? F7 C19 20 110.2(9) . . ? O3 C21 C22 129.2(5) . . ? O3 C21 20 112.7(5) . . ? C22 C21 20 118.1(5) . . ? C21 C22 C23 123.3(5) . . ? C21 C22 H22 118.3 . . ? C23 C22 H22 118.3 . . ? O4 C23 C22 124.3(5) . . ? O4 C23 C24 116.5(4) . . ? C22 C23 C24 119.2(4) . . ? C25 C24 C29 119.8(5) . . ? C25 C24 C23 118.7(5) . . ? C29 C24 C23 121.4(5) . . ? C24 C25 C26 121.2(5) . . ? C24 C25 H25 119.4 . . ? C26 C25 H25 119.4 . . ? C27 C26 C25 118.6(5) . . ? C27 C26 H26 120.7 . . ? C25 C26 H26 120.7 . . ? C26 C27 C28 120.4(5) . . ? C26 C27 C32 130.6(5) . . ? C28 C27 C32 108.9(5) . . ? C29 C28 C27 120.5(5) . . ? C29 C28 C30 129.5(5) . . ? C27 C28 C30 109.9(5) . . ? C28 C29 C24 119.4(5) . . ? C28 C29 H29 120.3 . . ? C24 C29 H29 120.3 . . ? C31 C30 C28 103.4(5) . . ? C31 C30 H30A 111.1 . . ? C28 C30 H30A 111.1 . . ? C31 C30 H30B 111.1 . . ? C28 C30 H30B 111.1 . . ? H30A C30 H30B 109.1 . . ? C36 C31 C32 119.3(6) . . ? C36 C31 C30 131.4(6) . . ? C32 C31 C30 109.3(5) . . ? C33 C32 C31 120.0(5) . . ? C33 C32 C27 131.6(6) . . ? C31 C32 C27 108.4(5) . . ? C34 C33 C32 119.4(6) . . ? C34 C33 H33 120.3 . . ? C32 C33 H33 120.3 . . ? C33 C34 C35 120.8(6) . . ? C33 C34 H34 119.6 . . ? C35 C34 H34 119.6 . . ? C36 C35 C34 120.1(7) . . ? C36 C35 H35 120.0 . . ? C34 C35 H35 120.0 . . ? C35 C36 C31 120.4(7) . . ? C35 C36 H36 119.8 . . ? C31 C36 H36 119.8 . . ? F12 C37 F13 108.4(10) . . ? F12 C37 F11 108.3(8) . . ? F13 C37 F11 107.9(8) . . ? F12 C37 C38 109.5(8) . . ? F13 C37 C38 111.2(7) . . ? F11 C37 C38 111.5(8) . . ? F14 C38 F15 104.6(6) . . ? F14 C38 C37 106.5(7) . . ? F15 C38 C37 106.1(6) . . ? F14 C38 C39 109.8(5) . . ? F15 C38 C39 112.7(5) . . ? C37 C38 C39 116.2(6) . . ? O5 C39 C40 129.6(5) . . ? O5 C39 C38 113.2(5) . . ? C40 C39 C38 117.2(5) . . ? C39 C40 C41 122.1(5) . . ? C39 C40 H40 118.9 . . ? C41 C40 H40 118.9 . . ? O6 C41 C40 124.2(5) . . ? O6 C41 C42 116.5(5) . . ? C40 C41 C42 119.2(5) . . ? C47 C42 C43 120.3(6) . . ? C47 C42 C41 117.1(5) . . ? C43 C42 C41 122.5(6) . . ? C42 C43 C44 121.3(6) . . ? C42 C43 H43 119.3 . . ? C44 C43 H43 119.3 . . ? C45 C44 C43 117.6(6) . . ? C45 C44 H44 121.2 . . ? C43 C44 H44 121.2 . . ? C46 C45 C44 122.7(6) . . ? C46 C45 C50 108.5(6) . . ? C44 C45 C50 128.8(6) . . ? C45 C46 C47 119.4(6) . . ? C45 C46 C48 111.3(6) . . ? C47 C46 C48 129.2(6) . . ? C42 C47 C46 118.6(6) . . ? C42 C47 H47 120.7 . . ? C46 C47 H47 120.7 . . ? C46 C48 C49 103.3(6) . . ? C46 C48 H48A 111.1 . . ? C49 C48 H48A 111.1 . . ? C46 C48 H48B 111.1 . . ? C49 C48 H48B 111.1 . . ? H48A C48 H48B 109.1 . . ? C54 C49 C50 118.5(8) . . ? C54 C49 C48 130.6(9) . . ? C50 C49 C48 110.9(6) . . ? C51 C50 C49 123.2(7) . . ? C51 C50 C45 130.7(7) . . ? C49 C50 C45 106.1(6) . . ? C50 C51 C52 116.8(9) . . ? C50 C51 H51 121.6 . . ? C52 C51 H51 121.6 . . ? C53 C52 C51 119.6(9) . . ? C53 C52 H52 120.2 . . ? C51 C52 H52 120.2 . . ? C54 C53 C52 121.7(8) . . ? C54 C53 H53 119.2 . . ? C52 C53 H53 119.2 . . ? C53 C54 C49 120.2(10) . . ? C53 C54 H54 119.9 . . ? C49 C54 H54 119.9 . . ? C56 C55 C60 119.7(5) . . ? C56 C55 P1 123.4(4) . . ? C60 C55 P1 116.9(4) . . ? C57 C56 C55 119.5(5) . . ? C57 C56 H56 120.2 . . ? C55 C56 H56 120.2 . . ? C58 C57 C56 121.4(6) . . ? C58 C57 H57 119.3 . . ? C56 C57 H57 119.3 . . ? C59 C58 C57 118.9(5) . . ? C59 C58 H58 120.6 . . ? C57 C58 H58 120.6 . . ? C58 C59 C60 121.8(6) . . ? C58 C59 H59 119.1 . . ? C60 C59 H59 119.1 . . ? C59 C60 C55 118.7(5) . . ? C59 C60 H60 120.7 . . ? C55 C60 H60 120.7 . . ? C66 C61 C62 119.4(5) . . ? C66 C61 P1 118.0(4) . . ? C62 C61 P1 122.5(4) . . ? C61 C62 C63 119.1(6) . . ? C61 C62 H62 120.5 . . ? C63 C62 H62 120.5 . . ? C64 C63 C62 122.2(7) . . ? C64 C63 H63 118.9 . . ? C62 C63 H63 118.9 . . ? C63 C64 C65 118.1(6) . . ? C63 C64 H64 121.0 . . ? C65 C64 H64 121.0 . . ? C64 C65 C66 121.5(7) . . ? C64 C65 H65 119.2 . . ? C66 C65 H65 119.2 . . ? C61 C66 C65 119.6(7) . . ? C61 C66 H66 120.2 . . ? C65 C66 H66 120.2 . . ? C72 C67 C68 118.8(5) . . ? C72 C67 P1 122.3(4) . . ? C68 C67 P1 118.9(4) . . ? C69 C68 C67 120.9(5) . . ? C69 C68 H68 119.6 . . ? C67 C68 H68 119.6 . . ? C70 C69 C68 119.2(5) . . ? C70 C69 H69 120.4 . . ? C68 C69 H69 120.4 . . ? C69 C70 C71 122.5(5) . . ? C69 C70 H70 118.8 . . ? C71 C70 H70 118.8 . . ? C72 C71 C70 117.2(5) . . ? C72 C71 C75 122.1(5) . . ? C70 C71 C75 120.7(5) . . ? O9 C72 C71 122.5(4) . . ? O9 C72 C67 116.1(4) . . ? C71 C72 C67 121.4(5) . . ? O9 C73 C74 121.5(5) . . ? O9 C73 C81 116.7(4) . . ? C74 C73 C81 121.8(5) . . ? C73 C74 C78 117.1(5) . . ? C73 C74 C75 123.0(5) . . ? C78 C74 C75 119.8(5) . . ? C74 C75 C71 110.9(4) . . ? C74 C75 C76 110.9(6) . . ? C71 C75 C76 108.9(5) . . ? C74 C75 C77 108.8(5) . . ? C71 C75 C77 107.9(5) . . ? C76 C75 C77 109.5(6) . . ? C75 C76 H76A 109.5 . . ? C75 C76 H76B 109.5 . . ? H76A C76 H76B 109.5 . . ? C75 C76 H76C 109.5 . . ? H76A C76 H76C 109.5 . . ? H76B C76 H76C 109.5 . . ? C75 C77 H77A 109.5 . . ? C75 C77 H77B 109.5 . . ? H77A C77 H77B 109.5 . . ? C75 C77 H77C 109.5 . . ? H77A C77 H77C 109.5 . . ? H77B C77 H77C 109.5 . . ? C79 C78 C74 121.7(5) . . ? C79 C78 H78 119.2 . . ? C74 C78 H78 119.2 . . ? C80 C79 C78 120.0(6) . . ? C80 C79 H79 120.0 . . ? C78 C79 H79 120.0 . . ? C79 C80 C81 121.0(6) . . ? C79 C80 H80 119.5 . . ? C81 C80 H80 119.5 . . ? C80 C81 C73 118.2(5) . . ? C80 C81 P2 116.9(4) . . ? C73 C81 P2 124.9(4) . . ? C87 C82 C83 119.3(5) . . ? C87 C82 P2 123.2(5) . . ? C83 C82 P2 117.4(4) . . ? C84 C83 C82 119.8(7) . . ? C84 C83 H83 120.1 . . ? C82 C83 H83 120.1 . . ? C83 C84 C85 119.6(8) . . ? C83 C84 H84 120.2 . . ? C85 C84 H84 120.2 . . ? C86 C85 C84 120.2(7) . . ? C86 C85 H85 119.9 . . ? C84 C85 H85 119.9 . . ? C85 C86 C87 121.2(8) . . ? C85 C86 H86 119.4 . . ? C87 C86 H86 119.4 . . ? C86 C87 C82 119.8(7) . . ? C86 C87 H87 120.1 . . ? C82 C87 H87 120.1 . . ? C89 C88 C93 119.7(6) . . ? C89 C88 P2 123.2(5) . . ? C93 C88 P2 116.8(4) . . ? C88 C89 C90 120.0(7) . . ? C88 C89 H89 120.0 . . ? C90 C89 H89 120.0 . . ? C91 C90 C89 121.4(8) . . ? C91 C90 H90 119.3 . . ? C89 C90 H90 119.3 . . ? C90 C91 C92 119.8(7) . . ? C90 C91 H91 120.1 . . ? C92 C91 H91 120.1 . . ? C91 C92 C93 119.9(8) . . ? C91 C92 H92 120.0 . . ? C93 C92 H92 120.0 . . ? C88 C93 C92 119.2(7) . . ? C88 C93 H93 120.4 . . ? C92 C93 H93 120.4 . . ? Cl3 C94 Cl2 116.3(6) . . ? Cl3 C94 Cl1 117.0(6) . . ? Cl2 C94 Cl1 112.1(6) . . ? Cl3 C94 H94 102.9 . . ? Cl2 C94 H94 102.9 . . ? Cl1 C94 H94 102.9 . . ? Cl9 C96 Cl8 109.6(9) . . ? Cl9 C96 Cl10 112.3(9) . . ? Cl8 C96 Cl10 111.7(9) . . ? Cl9 C96 H96 107.7 . . ? Cl8 C96 H96 107.7 . . ? Cl10 C96 H96 107.7 . . ? F9 20 F1O 105.4(6) . . ? F9 20 C19 107.1(6) . . ? F1O 20 C19 106.9(6) . . ? F9 20 C21 112.0(5) . . ? F1O 20 C21 110.6(5) . . ? C19 20 C21 114.4(7) . . ? C3 O1 Eu1 134.3(4) . . ? C5 O2 Eu1 139.3(4) . . ? C21 O3 Eu1 133.9(3) . . ? C23 O4 Eu1 137.5(3) . . ? C39 O5 Eu1 132.8(4) . . ? C41 O6 Eu1 137.6(4) . . ? P1 O7 Eu1 155.8(2) . . ? P2 O8 Eu1 167.1(2) . . ? C72 O9 C73 119.8(4) . . ? O7 P1 C61 111.9(2) . . ? O7 P1 C55 109.7(2) . . ? C61 P1 C55 106.7(2) . . ? O7 P1 C67 115.8(2) . . ? C61 P1 C67 106.7(2) . . ? C55 P1 C67 105.6(2) . . ? O8 P2 C88 112.5(2) . . ? O8 P2 C82 110.4(2) . . ? C88 P2 C82 105.4(3) . . ? O8 P2 C81 114.9(2) . . ? C88 P2 C81 107.3(2) . . ? C82 P2 C81 105.7(2) . . ? O8 Eu1 O2 84.67(12) . . ? O8 Eu1 O7 73.69(12) . . ? O2 Eu1 O7 146.83(13) . . ? O8 Eu1 O1 142.82(14) . . ? O2 Eu1 O1 71.42(13) . . ? O7 Eu1 O1 138.95(13) . . ? O8 Eu1 O6 141.42(13) . . ? O2 Eu1 O6 105.20(13) . . ? O7 Eu1 O6 79.04(12) . . ? O1 Eu1 O6 73.99(15) . . ? O8 Eu1 O4 114.30(12) . . ? O2 Eu1 O4 140.13(12) . . ? O7 Eu1 O4 72.78(12) . . ? O1 Eu1 O4 73.31(13) . . ? O6 Eu1 O4 82.01(12) . . ? O8 Eu1 O3 71.90(13) . . ? O2 Eu1 O3 82.99(14) . . ? O7 Eu1 O3 112.55(13) . . ? O1 Eu1 O3 77.15(16) . . ? O6 Eu1 O3 145.33(13) . . ? O4 Eu1 O3 71.54(12) . . ? O8 Eu1 O5 76.60(12) . . ? O2 Eu1 O5 76.31(13) . . ? O7 Eu1 O5 74.44(12) . . ? O1 Eu1 O5 122.25(14) . . ? O6 Eu1 O5 70.06(12) . . ? O4 Eu1 O5 140.18(12) . . ? O3 Eu1 O5 143.61(12) . . ? Cl7 C95 Cl4 94.3(8) . . ? Cl7 C95 Cl6 94.6(8) . . ? Cl4 C95 Cl6 114.8(10) . . ? Cl7 C95 H95 116.3 . . ? Cl4 C95 H95 116.3 . . ? Cl6 C95 H95 116.3 . . ? 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 F3 C1 C2 F4 -170.9(14) . . . . ? F1 C1 C2 F4 -47(2) . . . . ? F2 C1 C2 F4 67.2(11) . . . . ? F3 C1 C2 F5 -57.9(17) . . . . ? F1 C1 C2 F5 66.0(16) . . . . ? F2 C1 C2 F5 -179.8(7) . . . . ? F3 C1 C2 C3 56(2) . . . . ? F1 C1 C2 C3 179.9(11) . . . . ? F2 C1 C2 C3 -66.0(13) . . . . ? F4 C2 C3 O1 -149.9(8) . . . . ? C1 C2 C3 O1 -16.8(16) . . . . ? F5 C2 C3 O1 92.0(9) . . . . ? F4 C2 C3 C4 33.3(12) . . . . ? C1 C2 C3 C4 166.4(13) . . . . ? F5 C2 C3 C4 -84.8(9) . . . . ? O1 C3 C4 C5 0.4(13) . . . . ? C2 C3 C4 C5 176.6(7) . . . . ? C3 C4 C5 O2 0.4(11) . . . . ? C3 C4 C5 C6 179.0(6) . . . . ? O2 C5 C6 C11 -179.5(6) . . . . ? C4 C5 C6 C11 1.7(10) . . . . ? O2 C5 C6 C7 0.2(8) . . . . ? C4 C5 C6 C7 -178.5(6) . . . . ? C11 C6 C7 C8 2.5(11) . . . . ? C5 C6 C7 C8 -177.2(6) . . . . ? C6 C7 C8 C9 -1.6(12) . . . . ? C7 C8 C9 C1O 0.9(11) . . . . ? C7 C8 C9 C14 -179.3(7) . . . . ? C11 C1O C9 C8 -1.1(11) . . . . ? C12 C1O C9 C8 179.3(7) . . . . ? C11 C1O C9 C14 179.1(6) . . . . ? C12 C1O C9 C14 -0.5(8) . . . . ? C7 C6 C11 C1O -2.7(10) . . . . ? C5 C6 C11 C1O 177.1(6) . . . . ? C9 C1O C11 C6 2.0(10) . . . . ? C12 C1O C11 C6 -178.5(7) . . . . ? C9 C1O C12 C13 1.3(9) . . . . ? C11 C1O C12 C13 -178.3(7) . . . . ? C1O C12 C13 C14 -1.6(9) . . . . ? C1O C12 C13 C18 178.1(9) . . . . ? C18 C13 C14 C15 1.3(11) . . . . ? C12 C13 C14 C15 -178.9(7) . . . . ? C18 C13 C14 C9 -178.4(7) . . . . ? C12 C13 C14 C9 1.3(8) . . . . ? C8 C9 C14 C13 179.7(8) . . . . ? C1O C9 C14 C13 -0.5(8) . . . . ? C8 C9 C14 C15 0.0(12) . . . . ? C1O C9 C14 C15 179.8(7) . . . . ? C13 C14 C15 C16 -1.3(10) . . . . ? C9 C14 C15 C16 178.4(6) . . . . ? C14 C15 C16 C17 0.3(11) . . . . ? C15 C16 C17 C18 0.9(14) . . . . ? C16 C17 C18 C13 -0.9(15) . . . . ? C14 C13 C18 C17 -0.2(14) . . . . ? C12 C13 C18 C17 -179.9(9) . . . . ? O3 C21 C22 C23 -1.1(11) . . . . ? 20 C21 C22 C23 -179.9(6) . . . . ? C21 C22 C23 O4 -0.6(9) . . . . ? C21 C22 C23 C24 179.0(5) . . . . ? O4 C23 C24 C25 -30.7(7) . . . . ? C22 C23 C24 C25 149.7(5) . . . . ? O4 C23 C24 C29 146.0(5) . . . . ? C22 C23 C24 C29 -33.6(7) . . . . ? C29 C24 C25 C26 0.2(8) . . . . ? C23 C24 C25 C26 177.0(5) . . . . ? C24 C25 C26 C27 -1.5(8) . . . . ? C25 C26 C27 C28 0.2(8) . . . . ? C25 C26 C27 C32 -176.4(5) . . . . ? C26 C27 C28 C29 2.3(8) . . . . ? C32 C27 C28 C29 179.6(5) . . . . ? C26 C27 C28 C30 -177.2(5) . . . . ? C32 C27 C28 C30 0.1(6) . . . . ? C27 C28 C29 C24 -3.6(8) . . . . ? C30 C28 C29 C24 175.9(6) . . . . ? C25 C24 C29 C28 2.3(8) . . . . ? C23 C24 C29 C28 -174.4(5) . . . . ? C29 C28 C30 C31 -178.1(6) . . . . ? C27 C28 C30 C31 1.5(7) . . . . ? C28 C30 C31 C36 178.9(7) . . . . ? C28 C30 C31 C32 -2.5(7) . . . . ? C36 C31 C32 C33 1.8(9) . . . . ? C30 C31 C32 C33 -177.0(6) . . . . ? C36 C31 C32 C27 -178.5(6) . . . . ? C30 C31 C32 C27 2.7(7) . . . . ? C26 C27 C32 C33 -5.2(10) . . . . ? C28 C27 C32 C33 177.9(6) . . . . ? C26 C27 C32 C31 175.2(6) . . . . ? C28 C27 C32 C31 -1.7(6) . . . . ? C31 C32 C33 C34 -2.0(9) . . . . ? C27 C32 C33 C34 178.4(6) . . . . ? C32 C33 C34 C35 0.4(11) . . . . ? C33 C34 C35 C36 1.6(12) . . . . ? C34 C35 C36 C31 -1.8(12) . . . . ? C32 C31 C36 C35 0.1(11) . . . . ? C30 C31 C36 C35 178.6(7) . . . . ? F12 C37 C38 F14 -179.2(7) . . . . ? F13 C37 C38 F14 -59.4(10) . . . . ? F11 C37 C38 F14 61.0(9) . . . . ? F12 C37 C38 F15 69.7(9) . . . . ? F13 C37 C38 F15 -170.5(8) . . . . ? F11 C37 C38 F15 -50.1(10) . . . . ? F12 C37 C38 C39 -56.5(9) . . . . ? F13 C37 C38 C39 63.3(10) . . . . ? F11 C37 C38 C39 -176.3(7) . . . . ? F14 C38 C39 O5 60.0(7) . . . . ? F15 C38 C39 O5 176.2(5) . . . . ? C37 C38 C39 O5 -61.0(8) . . . . ? F14 C38 C39 C40 -121.3(6) . . . . ? F15 C38 C39 C40 -5.1(8) . . . . ? C37 C38 C39 C40 117.7(7) . . . . ? O5 C39 C40 C41 3.9(10) . . . . ? C38 C39 C40 C41 -174.6(6) . . . . ? C39 C40 C41 O6 -5.1(9) . . . . ? C39 C40 C41 C42 171.8(5) . . . . ? O6 C41 C42 C47 15.4(7) . . . . ? C40 C41 C42 C47 -161.8(5) . . . . ? O6 C41 C42 C43 -164.8(5) . . . . ? C40 C41 C42 C43 18.0(8) . . . . ? C47 C42 C43 C44 0.5(9) . . . . ? C41 C42 C43 C44 -179.3(6) . . . . ? C42 C43 C44 C45 0.6(10) . . . . ? C43 C44 C45 C46 -0.8(10) . . . . ? C43 C44 C45 C50 177.5(6) . . . . ? C44 C45 C46 C47 -0.1(9) . . . . ? C50 C45 C46 C47 -178.7(5) . . . . ? C44 C45 C46 C48 177.3(6) . . . . ? C50 C45 C46 C48 -1.4(7) . . . . ? C43 C42 C47 C46 -1.4(8) . . . . ? C41 C42 C47 C46 178.4(5) . . . . ? C45 C46 C47 C42 1.2(8) . . . . ? C48 C46 C47 C42 -175.7(7) . . . . ? C45 C46 C48 C49 0.7(8) . . . . ? C47 C46 C48 C49 177.7(6) . . . . ? C46 C48 C49 C54 -179.1(8) . . . . ? C46 C48 C49 C50 0.3(8) . . . . ? C54 C49 C50 C51 -0.5(11) . . . . ? C48 C49 C50 C51 180.0(7) . . . . ? C54 C49 C50 C45 178.4(7) . . . . ? C48 C49 C50 C45 -1.1(8) . . . . ? C46 C45 C50 C51 -179.7(7) . . . . ? C44 C45 C50 C51 1.8(11) . . . . ? C46 C45 C50 C49 1.5(7) . . . . ? C44 C45 C50 C49 -177.0(7) . . . . ? C49 C50 C51 C52 0.6(11) . . . . ? C45 C50 C51 C52 -178.0(7) . . . . ? C50 C51 C52 C53 0.0(13) . . . . ? C51 C52 C53 C54 -0.7(15) . . . . ? C52 C53 C54 C49 0.8(16) . . . . ? C50 C49 C54 C53 -0.2(13) . . . . ? C48 C49 C54 C53 179.2(9) . . . . ? C60 C55 C56 C57 -2.1(8) . . . . ? P1 C55 C56 C57 -179.7(5) . . . . ? C55 C56 C57 C58 0.9(10) . . . . ? C56 C57 C58 C59 1.1(10) . . . . ? C57 C58 C59 C60 -1.9(10) . . . . ? C58 C59 C60 C55 0.7(9) . . . . ? C56 C55 C60 C59 1.3(8) . . . . ? P1 C55 C60 C59 179.1(4) . . . . ? C66 C61 C62 C63 -1.6(9) . . . . ? P1 C61 C62 C63 175.1(5) . . . . ? C61 C62 C63 C64 0.1(11) . . . . ? C62 C63 C64 C65 1.3(12) . . . . ? C63 C64 C65 C66 -1.2(13) . . . . ? C62 C61 C66 C65 1.7(10) . . . . ? P1 C61 C66 C65 -175.1(6) . . . . ? C64 C65 C66 C61 -0.3(13) . . . . ? C72 C67 C68 C69 -1.9(7) . . . . ? P1 C67 C68 C69 175.5(4) . . . . ? C67 C68 C69 C70 -0.1(8) . . . . ? C68 C69 C70 C71 0.9(9) . . . . ? C69 C70 C71 C72 0.4(8) . . . . ? C69 C70 C71 C75 -179.0(5) . . . . ? C70 C71 C72 O9 179.0(5) . . . . ? C75 C71 C72 O9 -1.6(8) . . . . ? C70 C71 C72 C67 -2.5(8) . . . . ? C75 C71 C72 C67 176.9(5) . . . . ? C68 C67 C72 O9 -178.2(4) . . . . ? P1 C67 C72 O9 4.5(6) . . . . ? C68 C67 C72 C71 3.3(7) . . . . ? P1 C67 C72 C71 -174.1(4) . . . . ? O9 C73 C74 C78 176.5(5) . . . . ? C81 C73 C74 C78 -2.4(8) . . . . ? O9 C73 C74 C75 -6.0(8) . . . . ? C81 C73 C74 C75 175.1(5) . . . . ? C73 C74 C75 C71 4.5(8) . . . . ? C78 C74 C75 C71 -178.0(5) . . . . ? C73 C74 C75 C76 125.7(6) . . . . ? C78 C74 C75 C76 -56.9(8) . . . . ? C73 C74 C75 C77 -113.9(6) . . . . ? C78 C74 C75 C77 63.6(8) . . . . ? C72 C71 C75 C74 -0.9(8) . . . . ? C70 C71 C75 C74 178.5(5) . . . . ? C72 C71 C75 C76 -123.1(6) . . . . ? C70 C71 C75 C76 56.3(7) . . . . ? C72 C71 C75 C77 118.1(6) . . . . ? C70 C71 C75 C77 -62.5(7) . . . . ? C73 C74 C78 C79 -1.1(10) . . . . ? C75 C74 C78 C79 -178.7(6) . . . . ? C74 C78 C79 C80 4.2(11) . . . . ? C78 C79 C80 C81 -3.9(11) . . . . ? C79 C80 C81 C73 0.5(9) . . . . ? C79 C80 C81 P2 178.7(5) . . . . ? O9 C73 C81 C80 -176.2(5) . . . . ? C74 C73 C81 C80 2.7(8) . . . . ? O9 C73 C81 P2 5.7(7) . . . . ? C74 C73 C81 P2 -175.4(4) . . . . ? C87 C82 C83 C84 -1.4(10) . . . . ? P2 C82 C83 C84 179.4(6) . . . . ? C82 C83 C84 C85 1.3(12) . . . . ? C83 C84 C85 C86 -1.0(14) . . . . ? C84 C85 C86 C87 0.7(15) . . . . ? C85 C86 C87 C82 -0.7(13) . . . . ? C83 C82 C87 C86 1.0(10) . . . . ? P2 C82 C87 C86 -179.7(6) . . . . ? C93 C88 C89 C90 0.0(13) . . . . ? P2 C88 C89 C90 -173.9(8) . . . . ? C88 C89 C90 C91 -0.9(17) . . . . ? C89 C90 C91 C92 0.9(19) . . . . ? C90 C91 C92 C93 0.1(18) . . . . ? C89 C88 C93 C92 1.0(12) . . . . ? P2 C88 C93 C92 175.2(7) . . . . ? C91 C92 C93 C88 -1.0(16) . . . . ? F8 C19 20 F9 -68.4(10) . . . . ? F6 C19 20 F9 169.1(8) . . . . ? F7 C19 20 F9 49.9(10) . . . . ? F8 C19 20 F1O 179.0(8) . . . . ? F6 C19 20 F1O 56.5(10) . . . . ? F7 C19 20 F1O -62.7(9) . . . . ? F8 C19 20 C21 56.3(11) . . . . ? F6 C19 20 C21 -66.2(10) . . . . ? F7 C19 20 C21 174.6(7) . . . . ? O3 C21 20 F9 -169.4(6) . . . . ? C22 C21 20 F9 9.6(9) . . . . ? O3 C21 20 F1O -52.2(8) . . . . ? C22 C21 20 F1O 126.8(6) . . . . ? O3 C21 20 C19 68.5(8) . . . . ? C22 C21 20 C19 -112.5(8) . . . . ? C4 C3 O1 Eu1 7.7(12) . . . . ? C2 C3 O1 Eu1 -168.7(6) . . . . ? C4 C5 O2 Eu1 -10.3(10) . . . . ? C6 C5 O2 Eu1 171.0(4) . . . . ? C22 C21 O3 Eu1 5.3(10) . . . . ? 20 C21 O3 Eu1 -175.8(4) . . . . ? C22 C23 O4 Eu1 -2.3(8) . . . . ? C24 C23 O4 Eu1 178.2(3) . . . . ? C40 C39 O5 Eu1 13.6(10) . . . . ? C38 C39 O5 Eu1 -167.9(4) . . . . ? C40 C41 O6 Eu1 -12.4(9) . . . . ? C42 C41 O6 Eu1 170.6(3) . . . . ? C71 C72 O9 C73 0.5(7) . . . . ? C67 C72 O9 C73 -178.0(4) . . . . ? C74 C73 O9 C72 3.3(7) . . . . ? C81 C73 O9 C72 -177.8(4) . . . . ? Eu1 O7 P1 C61 -146.5(5) . . . . ? Eu1 O7 P1 C55 95.4(5) . . . . ? Eu1 O7 P1 C67 -23.9(6) . . . . ? C66 C61 P1 O7 -27.4(5) . . . . ? C62 C61 P1 O7 155.9(4) . . . . ? C66 C61 P1 C55 92.5(5) . . . . ? C62 C61 P1 C55 -84.2(5) . . . . ? C66 C61 P1 C67 -155.0(5) . . . . ? C62 C61 P1 C67 28.2(5) . . . . ? C56 C55 P1 O7 138.9(4) . . . . ? C60 C55 P1 O7 -38.8(5) . . . . ? C56 C55 P1 C61 17.5(5) . . . . ? C60 C55 P1 C61 -160.2(4) . . . . ? C56 C55 P1 C67 -95.7(5) . . . . ? C60 C55 P1 C67 86.6(4) . . . . ? C72 C67 P1 O7 -51.4(5) . . . . ? C68 C67 P1 O7 131.2(4) . . . . ? C72 C67 P1 C61 73.9(4) . . . . ? C68 C67 P1 C61 -103.5(4) . . . . ? C72 C67 P1 C55 -172.9(4) . . . . ? C68 C67 P1 C55 9.7(5) . . . . ? Eu1 O8 P2 C88 164.7(9) . . . . ? Eu1 O8 P2 C82 -77.8(10) . . . . ? Eu1 O8 P2 C81 41.5(10) . . . . ? C89 C88 P2 O8 -143.3(6) . . . . ? C93 C88 P2 O8 42.7(6) . . . . ? C89 C88 P2 C82 96.3(6) . . . . ? C93 C88 P2 C82 -77.7(6) . . . . ? C89 C88 P2 C81 -16.0(7) . . . . ? C93 C88 P2 C81 170.0(5) . . . . ? C87 C82 P2 O8 -135.2(5) . . . . ? C83 C82 P2 O8 44.1(5) . . . . ? C87 C82 P2 C88 -13.4(6) . . . . ? C83 C82 P2 C88 165.9(5) . . . . ? C87 C82 P2 C81 100.0(6) . . . . ? C83 C82 P2 C81 -80.7(5) . . . . ? C80 C81 P2 O8 -144.3(4) . . . . ? C73 C81 P2 O8 33.7(5) . . . . ? C80 C81 P2 C88 89.7(5) . . . . ? C73 C81 P2 C88 -92.2(5) . . . . ? C80 C81 P2 C82 -22.3(5) . . . . ? C73 C81 P2 C82 155.7(5) . . . . ? P2 O8 Eu1 O2 87.3(10) . . . . ? P2 O8 Eu1 O7 -118.1(10) . . . . ? P2 O8 Eu1 O1 38.0(11) . . . . ? P2 O8 Eu1 O6 -164.9(9) . . . . ? P2 O8 Eu1 O4 -56.2(10) . . . . ? P2 O8 Eu1 O3 2.9(9) . . . . ? P2 O8 Eu1 O5 164.5(10) . . . . ? C5 O2 Eu1 O8 -139.1(6) . . . . ? C5 O2 Eu1 O7 172.1(5) . . . . ? C5 O2 Eu1 O1 12.0(6) . . . . ? C5 O2 Eu1 O6 78.9(6) . . . . ? C5 O2 Eu1 O4 -16.9(7) . . . . ? C5 O2 Eu1 O3 -66.8(6) . . . . ? C5 O2 Eu1 O5 143.4(6) . . . . ? P1 O7 Eu1 O8 105.6(5) . . . . ? P1 O7 Eu1 O2 156.9(4) . . . . ? P1 O7 Eu1 O1 -52.6(6) . . . . ? P1 O7 Eu1 O6 -102.0(5) . . . . ? P1 O7 Eu1 O4 -17.1(5) . . . . ? P1 O7 Eu1 O3 43.7(5) . . . . ? P1 O7 Eu1 O5 -174.2(5) . . . . ? C3 O1 Eu1 O8 42.6(7) . . . . ? C3 O1 Eu1 O2 -10.1(6) . . . . ? C3 O1 Eu1 O7 -173.6(6) . . . . ? C3 O1 Eu1 O6 -122.7(7) . . . . ? C3 O1 Eu1 O4 151.0(7) . . . . ? C3 O1 Eu1 O3 76.7(6) . . . . ? C3 O1 Eu1 O5 -69.6(7) . . . . ? C41 O6 Eu1 O8 -13.2(6) . . . . ? C41 O6 Eu1 O2 87.5(5) . . . . ? C41 O6 Eu1 O7 -58.7(5) . . . . ? C41 O6 Eu1 O1 152.6(5) . . . . ? C41 O6 Eu1 O4 -132.6(5) . . . . ? C41 O6 Eu1 O3 -172.7(4) . . . . ? C41 O6 Eu1 O5 18.6(5) . . . . ? C23 O4 Eu1 O8 63.1(5) . . . . ? C23 O4 Eu1 O2 -49.3(6) . . . . ? C23 O4 Eu1 O7 125.6(5) . . . . ? C23 O4 Eu1 O1 -77.9(5) . . . . ? C23 O4 Eu1 O6 -153.5(5) . . . . ? C23 O4 Eu1 O3 3.8(5) . . . . ? C23 O4 Eu1 O5 161.4(4) . . . . ? C21 O3 Eu1 O8 -129.6(6) . . . . ? C21 O3 Eu1 O2 143.8(6) . . . . ? C21 O3 Eu1 O7 -66.7(6) . . . . ? C21 O3 Eu1 O1 71.3(5) . . . . ? C21 O3 Eu1 O6 37.1(7) . . . . ? C21 O3 Eu1 O4 -5.1(5) . . . . ? C21 O3 Eu1 O5 -160.9(5) . . . . ? C39 O5 Eu1 O8 141.9(5) . . . . ? C39 O5 Eu1 O2 -130.4(5) . . . . ? C39 O5 Eu1 O7 65.4(5) . . . . ? C39 O5 Eu1 O1 -73.2(5) . . . . ? C39 O5 Eu1 O6 -18.4(5) . . . . ? C39 O5 Eu1 O4 29.9(6) . . . . ? C39 O5 Eu1 O3 172.4(5) . . . . ? _diffrn_measured_fraction_theta_max 0.987 _diffrn_reflns_theta_full 26.31 _diffrn_measured_fraction_theta_full 0.987 _refine_diff_density_max 1.563 _refine_diff_density_min -0.984 _refine_diff_density_rms 0.121 _vrf_PLAT220_rrlbijueuxpo ; PROBLEM: Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.78 Ratio RESPONSE: This is because of the larger libration amplitude of the peripheral atoms as compared to those close to libration center. ; _vrf_PLAT242_rrlbijueuxpo ; PROBLEM: Check Low Ueq as Compared to Neighbors for C57 RESPONSE: The terminal CF3 group has higher libration as compared to its neighbour in the pentafluoroethyl group. ; # end Validation Reply Form