# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2011 data_global_1 _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 loop_ _publ_author_name N.Yoshinari A.Igashira-Kamiyama T.Konno #==END data_3 _database_code_depnum_ccdc_archive 'CCDC 779325' #TrackingRef '1319_web_deposit_cif_file_0_NobutoYoshinari_1275398352.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C60 H211 Cl2 Cu8 La2 N12 O75.50 Pd6 S12' _chemical_formula_weight 4189.57 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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M 'P 63' _symmetry_space_group_name_Hall 'P 6c' _symmetry_Int_Tables_number 173 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x-y, x, z+1/2' '-y, x-y, z' '-x, -y, z+1/2' '-x+y, -x, z' 'y, -x+y, z+1/2' _cell_length_a 18.1980(12) _cell_length_b 18.1980(12) _cell_length_c 25.236(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 120.00 _cell_volume 7237.5(9) _cell_formula_units_Z 2 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 47510 _cell_measurement_theta_min 3.0 _cell_measurement_theta_max 27.5 _exptl_crystal_description block _exptl_crystal_colour brown _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.22 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.922 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4214 _exptl_absorpt_coefficient_mu 2.754 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.4055 _exptl_absorpt_correction_T_max 0.5825 _exptl_absorpt_process_details ; Higashi, T. (1995). Program for Absorption Correction. Rigaku Corporation, Tokyo, Japan. ; _exptl_special_details ; ? ; _chemical_absolute_configuration rmad _diffrn_ambient_temperature 200(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 70946 _diffrn_reflns_av_R_equivalents 0.0525 _diffrn_reflns_av_sigmaI/netI 0.0357 _diffrn_reflns_limit_h_min -23 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -32 _diffrn_reflns_limit_l_max 32 _diffrn_reflns_theta_min 3.05 _diffrn_reflns_theta_max 27.48 _reflns_number_total 11091 _reflns_number_gt 10139 _reflns_threshold_expression >2sigma(I) _computing_data_collection PROCESS-AUTO _computing_cell_refinement PROCESS-AUTO _computing_data_reduction CrystalStructure _computing_structure_solution SIR92 _computing_structure_refinement SHELXL _computing_publication_material 'CrystalStructure 3.7.0' _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^)+(0.0599P)^2^+20.0140P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.022(15) _refine_ls_number_reflns 11091 _refine_ls_number_parameters 530 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0497 _refine_ls_R_factor_gt 0.0446 _refine_ls_wR_factor_ref 0.1166 _refine_ls_wR_factor_gt 0.1129 _refine_ls_goodness_of_fit_ref 1.030 _refine_ls_restrained_S_all 1.030 _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 La1 La 0.3333 0.6667 0.33670(2) 0.02599(12) Uani 1 3 d S . . La2 La 0.0000 0.0000 0.15641(5) 0.0635(3) Uani 1 3 d S . . Pd1 Pd 0.63654(3) 0.52890(3) 0.342606(18) 0.03060(11) Uani 1 1 d . . . Pd2 Pd 0.44101(3) 0.30233(4) 0.12765(2) 0.03966(14) Uani 1 1 d . . . Cu1 Cu 0.6667 0.3333 0.34301(6) 0.0343(3) Uani 1 3 d S . . Cu2 Cu 0.49584(7) 0.31250(6) 0.27690(3) 0.0451(2) Uani 1 1 d . . . Cu3 Cu 0.6667 0.3333 0.11633(5) 0.0317(3) Uani 1 3 d S . . Cu4 Cu 0.53408(5) 0.18086(5) 0.19920(3) 0.03380(18) Uani 1 1 d . . . Cl1 Cl 0.6667 0.3333 0.23448(9) 0.0283(4) Uani 1 3 d S . . S1 S 0.72928(10) 0.47845(9) 0.34633(6) 0.0293(3) Uani 1 1 d . . . S2 S 0.56235(10) 0.45496(9) 0.26982(5) 0.0284(3) Uani 1 1 d . . . S3 S 0.44257(10) 0.23360(11) 0.20260(6) 0.0320(3) Uani 1 1 d . . . S4 S 0.58301(9) 0.39230(9) 0.12274(5) 0.0271(3) Uani 1 1 d . . . O1 O 0.7883(4) 0.6726(5) 0.4959(3) 0.076(2) Uani 1 1 d . . . O2 O 0.9147(5) 0.6951(6) 0.4666(4) 0.097(3) Uani 1 1 d . . . O3 O 0.4618(3) 0.6463(3) 0.3282(2) 0.0442(12) Uani 1 1 d . . . O4 O 0.3466(3) 0.5334(4) 0.2993(3) 0.0560(15) Uani 1 1 d . . . O5A O 0.1311(10) 0.0883(10) 0.2138(6) 0.077(4) Uiso 0.50 1 d P A 1 O6A O 0.1547(12) 0.1152(12) 0.1323(8) 0.095(5) Uiso 0.50 1 d P A 1 O5B O 0.142(2) 0.149(2) 0.1859(13) 0.153(10) Uiso 0.50 1 d P A 2 O6B O 0.1519(12) 0.0541(13) 0.1399(8) 0.098(5) Uiso 0.50 1 d P A 2 O7 O 0.4439(4) 0.4528(5) -0.0238(3) 0.0653(18) Uani 1 1 d . . . O8 O 0.5667(4) 0.4722(4) -0.05642(19) 0.0474(12) Uani 1 1 d . . . O9 O 0.3333 0.6667 0.2356(5) 0.080(3) Uani 1 3 d S . . O10 O 0.2542(3) 0.6923(3) 0.4124(2) 0.0462(12) Uani 1 1 d . . . O11 O 0.013(3) 0.066(2) 0.2575(16) 0.142(12) Uiso 0.33 1 d P . . O12A O 0.0520(19) 0.1548(19) 0.1096(13) 0.181(11) Uiso 0.50 1 d P B 1 O12B O 0.033(3) 0.075(2) 0.076(2) 0.221(17) Uiso 0.50 1 d P A 2 N1 N 0.7081(4) 0.6097(4) 0.4030(2) 0.0363(12) Uani 1 1 d . . . H1 H 0.7167 0.6630 0.3958 0.044 Uiso 1 1 calc R . . H2 H 0.6777 0.5915 0.4340 0.044 Uiso 1 1 calc R . . N2 N 0.5473(4) 0.5664(4) 0.3483(2) 0.0367(12) Uani 1 1 d . . . H3 H 0.5308 0.5615 0.3832 0.044 Uiso 1 1 calc R . . H4 H 0.5731 0.6230 0.3395 0.044 Uiso 1 1 calc R . . N3 N 0.3107(4) 0.2317(7) 0.1338(3) 0.083(3) Uani 1 1 d . . . H5 H 0.2891 0.2671 0.1278 0.099 Uiso 1 1 calc R . . H6 H 0.2910 0.1917 0.1072 0.099 Uiso 1 1 calc R . . N4 N 0.4356(4) 0.3526(5) 0.0546(3) 0.0507(16) Uani 1 1 d . . . H7 H 0.3978 0.3090 0.0333 0.061 Uiso 1 1 calc R . . H8 H 0.4148 0.3889 0.0597 0.061 Uiso 1 1 calc R . . C1 C 0.7825(4) 0.5275(4) 0.4109(3) 0.0358(14) Uani 1 1 d . . . C2 C 0.7929(4) 0.6160(4) 0.4113(3) 0.0386(14) Uani 1 1 d . . . H9 H 0.8302 0.6483 0.3808 0.046 Uiso 1 1 calc R . . C3 C 0.8356(6) 0.6659(6) 0.4626(3) 0.056(2) Uani 1 1 d . . . C4 C 0.7230(5) 0.4720(5) 0.4568(3) 0.0446(17) Uani 1 1 d . . . H10 H 0.6696 0.4728 0.4553 0.067 Uiso 1 1 calc R . . H11 H 0.7508 0.4949 0.4910 0.067 Uiso 1 1 calc R . . H12 H 0.7113 0.4135 0.4530 0.067 Uiso 1 1 calc R . . C5 C 0.8663(5) 0.5275(6) 0.4112(4) 0.0516(19) Uani 1 1 d . . . H13 H 0.8550 0.4689 0.4111 0.077 Uiso 1 1 calc R . . H14 H 0.8985 0.5565 0.4431 0.077 Uiso 1 1 calc R . . H15 H 0.8994 0.5572 0.3797 0.077 Uiso 1 1 calc R . . C6 C 0.4939(4) 0.5045(4) 0.2592(2) 0.0343(13) Uani 1 1 d . . . C7 C 0.4696(4) 0.5197(4) 0.3152(3) 0.0364(14) Uani 1 1 d . . . H16 H 0.4317 0.4633 0.3321 0.044 Uiso 1 1 calc R . . C8 C 0.4230(4) 0.5696(4) 0.3139(3) 0.0356(14) Uani 1 1 d . . . C9 C 0.5445(6) 0.5889(5) 0.2300(3) 0.0503(19) Uani 1 1 d . . . H17 H 0.5944 0.6274 0.2510 0.075 Uiso 1 1 calc R . . H18 H 0.5087 0.6144 0.2247 0.075 Uiso 1 1 calc R . . H19 H 0.5628 0.5791 0.1955 0.075 Uiso 1 1 calc R . . C10 C 0.4161(6) 0.4420(6) 0.2288(3) 0.056(2) Uani 1 1 d . . . H20 H 0.3869 0.3883 0.2483 0.085 Uiso 1 1 calc R . . H21 H 0.4331 0.4321 0.1939 0.085 Uiso 1 1 calc R . . H22 H 0.3779 0.4649 0.2245 0.085 Uiso 1 1 calc R . . C11 C 0.3269(5) 0.1478(5) 0.2053(3) 0.0438(17) Uani 1 1 d . . . C12 C 0.2771(5) 0.1883(7) 0.1838(4) 0.068(3) Uani 1 1 d . A . H23 H 0.2806 0.2309 0.2102 0.082 Uiso 1 1 calc R . . C13 C 0.1802(7) 0.1198(8) 0.1756(4) 0.077(3) Uani 1 1 d . . . C14 C 0.3068(6) 0.1195(7) 0.2612(4) 0.073(3) Uani 1 1 d . . . H24 H 0.3140 0.1671 0.2833 0.110 Uiso 1 1 calc R . . H25 H 0.3451 0.1000 0.2737 0.110 Uiso 1 1 calc R . . H26 H 0.2480 0.0730 0.2637 0.110 Uiso 1 1 calc R . . C15 C 0.3153(6) 0.0780(6) 0.1689(4) 0.075(3) Uani 1 1 d . . . H27 H 0.3484 0.0527 0.1820 0.112 Uiso 1 1 calc R . . H28 H 0.3349 0.1011 0.1333 0.112 Uiso 1 1 calc R . . H29 H 0.2551 0.0346 0.1675 0.112 Uiso 1 1 calc R . . C16 C 0.5869(4) 0.4583(4) 0.0641(2) 0.0300(12) Uani 1 1 d . . . C17 C 0.5183(4) 0.3993(4) 0.0262(2) 0.0336(13) Uani 1 1 d . . . H30 H 0.5335 0.3568 0.0131 0.040 Uiso 1 1 calc R . . C18 C 0.5079(5) 0.4447(4) -0.0222(3) 0.0396(15) Uani 1 1 d . . . C19 C 0.5724(6) 0.5289(5) 0.0822(3) 0.051(2) Uani 1 1 d . . . H31 H 0.5163 0.5047 0.0988 0.076 Uiso 1 1 calc R . . H32 H 0.5753 0.5635 0.0517 0.076 Uiso 1 1 calc R . . H33 H 0.6161 0.5644 0.1080 0.076 Uiso 1 1 calc R . . C20 C 0.6742(5) 0.4957(6) 0.0410(3) 0.0485(18) Uani 1 1 d . . . H34 H 0.6840 0.4500 0.0292 0.073 Uiso 1 1 calc R . . H35 H 0.7164 0.5299 0.0679 0.073 Uiso 1 1 calc R . . H36 H 0.6795 0.5318 0.0107 0.073 Uiso 1 1 calc R . . O13 O 0.6844(5) 0.7518(4) 0.3493(4) 0.144(3) Uani 0.67 1 d P C 1 Cl2 Cl 0.6844(5) 0.7518(4) 0.3493(4) 0.144(3) Uani 0.33 1 d P D 2 O14 O 0.6083(5) 0.7802(5) 0.4363(4) 0.095(3) Uani 1 1 d . . . O15 O 0.6217(5) 0.8271(6) 0.2745(4) 0.104(3) Uani 1 1 d . . . O16 O 0.1358(8) 0.1250(7) 0.3274(6) 0.140(4) Uani 1 1 d . . . O17 O 0.3039(5) 0.3595(5) 0.4246(4) 0.083(2) Uani 1 1 d . . . O18 O 0.0014(10) 0.1527(9) 0.3767(8) 0.199(8) Uani 1 1 d . . . O19 O 0.6667 0.3333 0.5632(9) 0.171(10) Uani 1 3 d S . . O20 O 0.2826(10) 0.2857(6) 0.3220(4) 0.165(6) Uani 1 1 d . . . O21 O 0.3076(11) 0.4033(13) 0.0869(4) 0.184(8) Uani 1 1 d . . . O22 O 0.2685(15) 0.5115(15) 0.1806(9) 0.275(12) Uani 1 1 d . . . O23 O 0.1841(13) 0.3123(15) 0.1725(8) 0.240(9) Uani 1 1 d . . . O24 O 0.4126(15) 0.569(2) 0.0637(12) 0.337(16) Uani 1 1 d . . . O25 O 0.597(3) 0.720(2) 0.0983(9) 0.53(4) Uani 1 1 d . . . O25A O 0.2843(13) 0.2192(13) 0.0050(9) 0.109(6) Uiso 0.50 1 d P E 1 O26A O 0.224(2) 0.046(2) 0.0384(17) 0.202(15) Uiso 0.50 1 d P F 1 O25B O 0.2937(15) 0.1590(15) 0.0282(10) 0.125(7) Uiso 0.50 1 d P G 2 O26B O 0.2323(14) -0.0151(15) 0.0585(10) 0.121(7) Uiso 0.50 1 d P H 2 O27B O 0.1433(17) 0.1455(16) -0.0010(12) 0.144(8) Uiso 0.50 1 d P I 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 La1 0.02624(16) 0.02624(16) 0.0255(3) 0.000 0.000 0.01312(8) La2 0.0404(3) 0.0404(3) 0.1096(8) 0.000 0.000 0.02019(13) Pd1 0.0401(2) 0.0360(2) 0.0213(2) -0.00323(19) 0.0030(2) 0.0232(2) Pd2 0.0296(2) 0.0559(3) 0.0316(3) 0.0152(2) 0.0005(2) 0.0198(2) Cu1 0.0364(4) 0.0364(4) 0.0300(6) 0.000 0.000 0.0182(2) Cu2 0.0652(6) 0.0410(5) 0.0298(4) 0.0039(3) -0.0045(4) 0.0272(4) Cu3 0.0333(4) 0.0333(4) 0.0285(7) 0.000 0.000 0.0166(2) Cu4 0.0415(4) 0.0396(4) 0.0212(3) 0.0049(3) 0.0033(3) 0.0209(4) Cl1 0.0320(7) 0.0320(7) 0.0211(10) 0.000 0.000 0.0160(3) S1 0.0352(7) 0.0350(7) 0.0209(7) -0.0049(6) 0.0008(6) 0.0200(6) S2 0.0384(8) 0.0346(7) 0.0196(6) -0.0031(5) 0.0020(5) 0.0238(6) S3 0.0321(8) 0.0391(8) 0.0234(7) 0.0050(6) 0.0012(6) 0.0167(7) S4 0.0318(7) 0.0348(7) 0.0164(6) 0.0020(5) -0.0025(5) 0.0180(6) O1 0.072(4) 0.105(5) 0.052(4) -0.048(4) -0.014(3) 0.044(4) O2 0.057(4) 0.111(6) 0.122(7) -0.073(6) -0.031(4) 0.042(4) O3 0.041(3) 0.041(3) 0.058(3) -0.002(2) 0.007(2) 0.026(2) O4 0.044(3) 0.058(3) 0.074(4) -0.022(3) -0.003(3) 0.032(3) O7 0.049(3) 0.097(5) 0.058(4) 0.032(4) 0.001(3) 0.043(3) O8 0.065(3) 0.068(3) 0.026(2) 0.008(2) 0.006(2) 0.046(3) O9 0.092(5) 0.092(5) 0.058(7) 0.000 0.000 0.046(3) O10 0.047(3) 0.050(3) 0.047(3) 0.002(2) 0.017(2) 0.028(2) N1 0.049(3) 0.041(3) 0.027(2) -0.005(2) 0.005(2) 0.029(3) N2 0.046(3) 0.054(3) 0.023(2) -0.008(2) 0.001(2) 0.035(3) N3 0.024(3) 0.134(8) 0.074(5) 0.050(5) 0.002(3) 0.028(4) N4 0.045(3) 0.060(4) 0.038(3) 0.018(3) -0.008(3) 0.019(3) C1 0.030(3) 0.052(4) 0.030(3) -0.010(3) 0.002(2) 0.023(3) C2 0.040(3) 0.035(3) 0.033(3) -0.010(3) 0.003(3) 0.012(3) C3 0.061(5) 0.052(5) 0.047(5) -0.022(4) 0.001(4) 0.024(4) C4 0.055(4) 0.054(4) 0.023(3) -0.002(3) 0.001(3) 0.026(4) C5 0.039(4) 0.063(5) 0.056(5) -0.024(4) -0.012(3) 0.028(4) C6 0.043(3) 0.043(3) 0.027(3) 0.000(3) 0.005(3) 0.030(3) C7 0.042(3) 0.036(3) 0.035(3) -0.010(3) 0.005(3) 0.023(3) C8 0.040(3) 0.040(3) 0.034(3) -0.006(3) 0.007(3) 0.025(3) C9 0.074(6) 0.065(5) 0.031(3) 0.015(3) 0.017(3) 0.049(5) C10 0.062(5) 0.079(6) 0.049(4) -0.028(4) -0.013(4) 0.051(5) C11 0.036(4) 0.060(5) 0.033(3) 0.005(3) -0.002(3) 0.022(3) C12 0.035(4) 0.096(7) 0.074(6) 0.042(6) 0.019(4) 0.034(5) C13 0.067(6) 0.087(7) 0.059(6) 0.013(5) 0.024(5) 0.026(6) C14 0.045(5) 0.094(7) 0.045(5) 0.025(5) 0.007(4) 0.008(5) C15 0.053(5) 0.066(6) 0.069(6) -0.016(5) -0.009(5) 0.003(4) C16 0.038(3) 0.043(3) 0.015(2) 0.001(2) 0.000(2) 0.025(3) C17 0.045(4) 0.039(3) 0.020(3) 0.008(2) -0.004(2) 0.024(3) C18 0.053(4) 0.038(3) 0.028(3) 0.006(3) -0.008(3) 0.022(3) C19 0.093(6) 0.049(4) 0.030(3) 0.000(3) -0.004(4) 0.050(4) C20 0.044(4) 0.074(5) 0.030(3) 0.016(3) 0.003(3) 0.032(4) O13 0.141(6) 0.083(4) 0.191(9) -0.003(5) 0.034(6) 0.044(4) Cl2 0.141(6) 0.083(4) 0.191(9) -0.003(5) 0.034(6) 0.044(4) O14 0.071(5) 0.085(5) 0.138(8) -0.031(5) -0.014(5) 0.045(4) O15 0.057(4) 0.113(7) 0.125(8) 0.003(6) 0.013(5) 0.031(4) O16 0.136(9) 0.106(8) 0.174(12) -0.037(8) -0.033(9) 0.057(7) O17 0.081(5) 0.075(5) 0.107(6) -0.017(4) -0.016(4) 0.050(4) O18 0.143(11) 0.112(10) 0.26(2) 0.022(11) -0.013(12) 0.003(9) O19 0.206(16) 0.206(16) 0.099(15) 0.000 0.000 0.103(8) O20 0.286(16) 0.060(5) 0.086(7) -0.011(4) -0.069(9) 0.038(8) O21 0.250(16) 0.36(2) 0.085(7) -0.039(10) -0.053(9) 0.255(18) O22 0.28(2) 0.27(2) 0.21(2) -0.093(18) -0.103(19) 0.085(19) O23 0.23(2) 0.28(2) 0.189(18) 0.016(17) -0.037(16) 0.117(18) O24 0.24(2) 0.47(4) 0.38(4) 0.09(3) -0.10(2) 0.24(3) O25 1.34(11) 0.51(4) 0.162(18) -0.10(2) -0.17(4) 0.78(7) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag La1 O9 2.552(13) . ? La1 O3 2.553(5) 3_665 ? La1 O3 2.553(5) 5_565 ? La1 O3 2.553(5) . ? La1 O10 2.571(5) . ? La1 O10 2.571(5) 5_565 ? La1 O10 2.571(5) 3_665 ? La1 O4 2.723(5) 5_565 ? La1 O4 2.723(5) 3_665 ? La1 O4 2.723(5) . ? La1 C8 2.999(6) 5_565 ? La1 C8 2.999(6) 3_665 ? La2 O12B 2.36(5) 3 ? La2 O12B 2.36(5) 5 ? La2 O12B 2.36(5) . ? La2 O6B 2.463(19) 5 ? La2 O6B 2.463(19) . ? La2 O6B 2.463(19) 3 ? La2 O5A 2.557(16) . ? La2 O5A 2.557(15) 5 ? La2 O5A 2.557(15) 3 ? La2 O6A 2.605(19) 5 ? La2 O6A 2.605(19) . ? La2 O6A 2.605(19) 3 ? Pd1 N2 2.056(5) . ? Pd1 N1 2.065(6) . ? Pd1 S2 2.2781(15) . ? Pd1 S1 2.2911(15) . ? Pd2 N3 2.061(7) . ? Pd2 N4 2.082(6) . ? Pd2 S4 2.2677(16) . ? Pd2 S3 2.2753(16) . ? Cu1 S1 2.2957(15) 5_665 ? Cu1 S1 2.2957(15) 3_655 ? Cu1 S1 2.2957(15) . ? Cu1 Cl1 2.739(3) . ? Cu2 S1 2.2524(16) 3_655 ? Cu2 S2 2.2538(17) . ? Cu2 S3 2.2640(18) . ? Cu3 S4 2.2647(15) 3_655 ? Cu3 S4 2.2647(15) 5_665 ? Cu3 S4 2.2647(15) . ? Cu4 S2 2.2957(16) 3_655 ? Cu4 S3 2.3021(18) . ? Cu4 S4 2.3044(16) 3_655 ? Cu4 Cl1 2.7601(11) . ? Cl1 Cu4 2.7601(11) 3_655 ? Cl1 Cu4 2.7601(11) 5_665 ? S1 C1 1.877(7) . ? S1 Cu2 2.2525(16) 5_665 ? S2 C6 1.886(6) . ? S2 Cu4 2.2957(16) 5_665 ? S3 C11 1.894(8) . ? S4 C16 1.885(6) . ? S4 Cu4 2.3044(16) 5_665 ? O1 C3 1.252(10) . ? O2 C3 1.265(11) . ? O3 C8 1.261(8) . ? O4 C8 1.260(9) . ? O5A C13 1.242(19) . ? O6A C13 1.17(2) . ? O5B C13 1.10(3) . ? O6B C13 1.37(2) . ? O7 C18 1.244(9) . ? O8 C18 1.267(9) . ? N1 C2 1.504(9) . ? N1 H1 0.9200 . ? N1 H2 0.9200 . ? N2 C7 1.490(9) . ? N2 H3 0.9200 . ? N2 H4 0.9200 . ? N3 C12 1.450(11) . ? N3 H5 0.9200 . ? N3 H6 0.9200 . ? N4 C17 1.490(9) . ? N4 H7 0.9200 . ? N4 H8 0.9200 . ? C1 C2 1.524(10) . ? C1 C5 1.525(9) . ? C1 C4 1.565(10) . ? C2 C3 1.549(10) . ? C2 H9 1.0000 . ? C4 H10 0.9800 . ? C4 H11 0.9800 . ? C4 H12 0.9800 . ? C5 H13 0.9800 . ? C5 H14 0.9800 . ? C5 H15 0.9800 . ? C6 C10 1.509(11) . ? C6 C9 1.530(10) . ? C6 C7 1.546(8) . ? C7 C8 1.522(9) . ? C7 H16 1.0000 . ? C9 H17 0.9800 . ? C9 H18 0.9800 . ? C9 H19 0.9800 . ? C10 H20 0.9800 . ? C10 H21 0.9800 . ? C10 H22 0.9800 . ? C11 C14 1.484(11) . ? C11 C15 1.494(13) . ? C11 C12 1.527(11) . ? C12 C13 1.583(15) . ? C12 H23 1.0000 . ? C14 H24 0.9800 . ? C14 H25 0.9800 . ? C14 H26 0.9800 . ? C15 H27 0.9800 . ? C15 H28 0.9800 . ? C15 H29 0.9800 . ? C16 C20 1.499(10) . ? C16 C19 1.506(9) . ? C16 C17 1.512(9) . ? C17 C18 1.539(8) . ? C17 H30 1.0000 . ? C19 H31 0.9800 . ? C19 H32 0.9800 . ? C19 H33 0.9800 . ? C20 H34 0.9800 . ? C20 H35 0.9800 . ? C20 H36 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 O9 La1 O3 85.18(12) . 3_665 ? O9 La1 O3 85.18(12) . 5_565 ? O3 La1 O3 119.30(4) 3_665 5_565 ? O9 La1 O3 85.18(12) . . ? O3 La1 O3 119.30(4) 3_665 . ? O3 La1 O3 119.30(4) 5_565 . ? O9 La1 O10 137.97(13) . . ? O3 La1 O10 70.57(17) 3_665 . ? O3 La1 O10 78.14(17) 5_565 . ? O3 La1 O10 136.52(18) . . ? O9 La1 O10 137.97(13) . 5_565 ? O3 La1 O10 78.14(17) 3_665 5_565 ? O3 La1 O10 136.52(18) 5_565 5_565 ? O3 La1 O10 70.57(17) . 5_565 ? O10 La1 O10 70.9(2) . 5_565 ? O9 La1 O10 137.97(13) . 3_665 ? O3 La1 O10 136.52(18) 3_665 3_665 ? O3 La1 O10 70.57(17) 5_565 3_665 ? O3 La1 O10 78.14(17) . 3_665 ? O10 La1 O10 70.9(2) . 3_665 ? O10 La1 O10 70.9(2) 5_565 3_665 ? O9 La1 O4 69.72(14) . 5_565 ? O3 La1 O4 71.39(16) 3_665 5_565 ? O3 La1 O4 49.18(16) 5_565 5_565 ? O3 La1 O4 152.30(19) . 5_565 ? O10 La1 O4 70.2(2) . 5_565 ? O10 La1 O4 136.55(18) 5_565 5_565 ? O10 La1 O4 112.67(17) 3_665 5_565 ? O9 La1 O4 69.72(14) . 3_665 ? O3 La1 O4 49.18(16) 3_665 3_665 ? O3 La1 O4 152.30(19) 5_565 3_665 ? O3 La1 O4 71.39(16) . 3_665 ? O10 La1 O4 112.67(17) . 3_665 ? O10 La1 O4 70.2(2) 5_565 3_665 ? O10 La1 O4 136.55(18) 3_665 3_665 ? O4 La1 O4 108.65(15) 5_565 3_665 ? O9 La1 O4 69.72(14) . . ? O3 La1 O4 152.30(19) 3_665 . ? O3 La1 O4 71.39(16) 5_565 . ? O3 La1 O4 49.18(16) . . ? O10 La1 O4 136.55(18) . . ? O10 La1 O4 112.67(17) 5_565 . ? O10 La1 O4 70.2(2) 3_665 . ? O4 La1 O4 108.65(15) 5_565 . ? O4 La1 O4 108.65(15) 3_665 . ? O9 La1 C8 78.95(13) . 5_565 ? O3 La1 C8 94.87(17) 3_665 5_565 ? O3 La1 C8 24.62(18) 5_565 5_565 ? O3 La1 C8 140.87(18) . 5_565 ? O10 La1 C8 69.87(18) . 5_565 ? O10 La1 C8 140.19(18) 5_565 5_565 ? O10 La1 C8 90.17(18) 3_665 5_565 ? O4 La1 C8 24.85(17) 5_565 5_565 ? O4 La1 C8 132.72(19) 3_665 5_565 ? O4 La1 C8 91.70(17) . 5_565 ? O9 La1 C8 78.95(13) . 3_665 ? O3 La1 C8 24.62(18) 3_665 3_665 ? O3 La1 C8 140.87(18) 5_565 3_665 ? O3 La1 C8 94.87(18) . 3_665 ? O10 La1 C8 90.17(18) . 3_665 ? O10 La1 C8 69.87(18) 5_565 3_665 ? O10 La1 C8 140.19(18) 3_665 3_665 ? O4 La1 C8 91.70(17) 5_565 3_665 ? O4 La1 C8 24.85(17) 3_665 3_665 ? O4 La1 C8 132.72(19) . 3_665 ? C8 La1 C8 116.42(8) 5_565 3_665 ? O12B La2 O12B 51.8(18) 3 5 ? O12B La2 O12B 51.8(18) 3 . ? O12B La2 O12B 51.8(18) 5 . ? O12B La2 O6B 60.8(12) 3 5 ? O12B La2 O6B 73.3(13) 5 5 ? O12B La2 O6B 109.7(12) . 5 ? O12B La2 O6B 109.7(12) 3 . ? O12B La2 O6B 60.8(12) 5 . ? O12B La2 O6B 73.3(13) . . ? O6B La2 O6B 117.2(3) 5 . ? O12B La2 O6B 73.3(13) 3 3 ? O12B La2 O6B 109.7(12) 5 3 ? O12B La2 O6B 60.8(12) . 3 ? O6B La2 O6B 117.2(3) 5 3 ? O6B La2 O6B 117.2(3) . 3 ? O5A La2 O5A 91.1(5) . 5 ? O5A La2 O5A 91.1(5) . 3 ? O5A La2 O5A 91.1(5) 5 3 ? O5A La2 O6A 118.6(6) . 5 ? O5A La2 O6A 48.2(6) 5 5 ? O5A La2 O6A 125.8(6) 3 5 ? O5A La2 O6A 48.2(6) . . ? O5A La2 O6A 125.8(6) 5 . ? O5A La2 O6A 118.6(6) 3 . ? O6A La2 O6A 114.7(3) 5 . ? O5A La2 O6A 125.8(6) . 3 ? O5A La2 O6A 118.6(6) 5 3 ? O5A La2 O6A 48.2(6) 3 3 ? O6A La2 O6A 114.7(3) 5 3 ? O6A La2 O6A 114.7(3) . 3 ? N2 Pd1 N1 91.9(2) . . ? N2 Pd1 S2 85.39(15) . . ? N1 Pd1 S2 172.70(17) . . ? N2 Pd1 S1 172.68(16) . . ? N1 Pd1 S1 85.77(15) . . ? S2 Pd1 S1 97.71(5) . . ? N3 Pd2 N4 92.8(3) . . ? N3 Pd2 S4 173.9(3) . . ? N4 Pd2 S4 85.50(18) . . ? N3 Pd2 S3 85.5(2) . . ? N4 Pd2 S3 173.6(2) . . ? S4 Pd2 S3 96.86(6) . . ? S1 Cu1 S1 119.868(7) 5_665 3_655 ? S1 Cu1 S1 119.867(7) 5_665 . ? S1 Cu1 S1 119.867(7) 3_655 . ? S1 Cu1 Cl1 92.10(5) 5_665 . ? S1 Cu1 Cl1 92.09(5) 3_655 . ? S1 Cu1 Cl1 92.10(5) . . ? S1 Cu2 S2 120.59(7) 3_655 . ? S1 Cu2 S3 117.26(7) 3_655 . ? S2 Cu2 S3 118.51(7) . . ? S4 Cu3 S4 119.495(12) 3_655 5_665 ? S4 Cu3 S4 119.495(12) 3_655 . ? S4 Cu3 S4 119.495(12) 5_665 . ? S2 Cu4 S3 120.37(6) 3_655 . ? S2 Cu4 S4 118.61(6) 3_655 3_655 ? S3 Cu4 S4 120.82(6) . 3_655 ? S2 Cu4 Cl1 92.76(6) 3_655 . ? S3 Cu4 Cl1 91.14(5) . . ? S4 Cu4 Cl1 90.56(6) 3_655 . ? Cu1 Cl1 Cu4 108.82(5) . 3_655 ? Cu1 Cl1 Cu4 108.82(5) . . ? Cu4 Cl1 Cu4 110.12(5) 3_655 . ? Cu1 Cl1 Cu4 108.82(5) . 5_665 ? Cu4 Cl1 Cu4 110.12(5) 3_655 5_665 ? Cu4 Cl1 Cu4 110.12(5) . 5_665 ? C1 S1 Cu2 115.7(2) . 5_665 ? C1 S1 Pd1 98.8(2) . . ? Cu2 S1 Pd1 118.02(7) 5_665 . ? C1 S1 Cu1 114.9(2) . . ? Cu2 S1 Cu1 95.93(6) 5_665 . ? Pd1 S1 Cu1 114.71(6) . . ? C6 S2 Cu2 117.2(2) . . ? C6 S2 Pd1 99.8(2) . . ? Cu2 S2 Pd1 115.74(7) . . ? C6 S2 Cu4 114.9(2) . 5_665 ? Cu2 S2 Cu4 96.47(6) . 5_665 ? Pd1 S2 Cu4 113.66(7) . 5_665 ? C11 S3 Cu2 116.1(2) . . ? C11 S3 Pd2 99.7(2) . . ? Cu2 S3 Pd2 117.32(8) . . ? C11 S3 Cu4 113.3(3) . . ? Cu2 S3 Cu4 97.21(7) . . ? Pd2 S3 Cu4 114.12(7) . . ? C16 S4 Cu3 115.2(2) . . ? C16 S4 Pd2 99.8(2) . . ? Cu3 S4 Pd2 117.07(7) . . ? C16 S4 Cu4 116.1(2) . 5_665 ? Cu3 S4 Cu4 94.18(6) . 5_665 ? Pd2 S4 Cu4 115.78(7) . 5_665 ? C8 O3 La1 97.9(4) . . ? C8 O4 La1 89.9(4) . . ? C13 O5A La2 94.6(10) . . ? C13 O6A La2 94.0(12) . . ? C13 O5B La2 88.0(19) . . ? C13 O6B La2 95.4(11) . . ? C2 N1 Pd1 114.5(4) . . ? C2 N1 H1 108.6 . . ? Pd1 N1 H1 108.6 . . ? C2 N1 H2 108.6 . . ? Pd1 N1 H2 108.6 . . ? H1 N1 H2 107.6 . . ? C7 N2 Pd1 116.9(4) . . ? C7 N2 H3 108.1 . . ? Pd1 N2 H3 108.1 . . ? C7 N2 H4 108.1 . . ? Pd1 N2 H4 108.1 . . ? H3 N2 H4 107.3 . . ? C12 N3 Pd2 116.5(5) . . ? C12 N3 H5 108.2 . . ? Pd2 N3 H5 108.2 . . ? C12 N3 H6 108.2 . . ? Pd2 N3 H6 108.2 . . ? H5 N3 H6 107.3 . . ? C17 N4 Pd2 114.9(4) . . ? C17 N4 H7 108.6 . . ? Pd2 N4 H7 108.6 . . ? C17 N4 H8 108.6 . . ? Pd2 N4 H8 108.6 . . ? H7 N4 H8 107.5 . . ? C2 C1 C5 113.8(6) . . ? C2 C1 C4 110.9(5) . . ? C5 C1 C4 111.4(7) . . ? C2 C1 S1 105.7(5) . . ? C5 C1 S1 106.5(5) . . ? C4 C1 S1 108.1(4) . . ? N1 C2 C1 109.7(5) . . ? N1 C2 C3 110.8(6) . . ? C1 C2 C3 112.7(6) . . ? N1 C2 H9 107.8 . . ? C1 C2 H9 107.8 . . ? C3 C2 H9 107.8 . . ? O1 C3 O2 126.8(8) . . ? O1 C3 C2 116.8(7) . . ? O2 C3 C2 116.4(7) . . ? C1 C4 H10 109.5 . . ? C1 C4 H11 109.5 . . ? H10 C4 H11 109.5 . . ? C1 C4 H12 109.5 . . ? H10 C4 H12 109.5 . . ? H11 C4 H12 109.5 . . ? C1 C5 H13 109.5 . . ? C1 C5 H14 109.5 . . ? H13 C5 H14 109.5 . . ? C1 C5 H15 109.5 . . ? H13 C5 H15 109.5 . . ? H14 C5 H15 109.5 . . ? C10 C6 C9 112.2(7) . . ? C10 C6 C7 110.8(6) . . ? C9 C6 C7 110.1(6) . . ? C10 C6 S2 107.9(5) . . ? C9 C6 S2 109.8(5) . . ? C7 C6 S2 105.8(4) . . ? N2 C7 C8 109.0(5) . . ? N2 C7 C6 109.8(5) . . ? C8 C7 C6 112.4(6) . . ? N2 C7 H16 108.5 . . ? C8 C7 H16 108.5 . . ? C6 C7 H16 108.5 . . ? O4 C8 O3 121.6(6) . . ? O4 C8 C7 119.5(6) . . ? O3 C8 C7 118.9(6) . . ? O4 C8 La1 65.2(3) . . ? O3 C8 La1 57.5(3) . . ? C7 C8 La1 167.7(5) . . ? C6 C9 H17 109.5 . . ? C6 C9 H18 109.5 . . ? H17 C9 H18 109.5 . . ? C6 C9 H19 109.5 . . ? H17 C9 H19 109.5 . . ? H18 C9 H19 109.5 . . ? C6 C10 H20 109.5 . . ? C6 C10 H21 109.5 . . ? H20 C10 H21 109.5 . . ? C6 C10 H22 109.5 . . ? H20 C10 H22 109.5 . . ? H21 C10 H22 109.5 . . ? C14 C11 C15 112.7(9) . . ? C14 C11 C12 113.7(8) . . ? C15 C11 C12 109.1(8) . . ? C14 C11 S3 107.4(5) . . ? C15 C11 S3 107.7(6) . . ? C12 C11 S3 105.8(6) . . ? N3 C12 C11 112.4(7) . . ? N3 C12 C13 108.4(8) . . ? C11 C12 C13 111.2(9) . . ? N3 C12 H23 108.2 . . ? C11 C12 H23 108.2 . . ? C13 C12 H23 108.2 . . ? O6A C13 O5A 121.4(15) . . ? O5B C13 O6B 122(2) . . ? O5B C13 C12 108(2) . . ? O6A C13 C12 115.0(12) . . ? O5A C13 C12 121.5(12) . . ? O6B C13 C12 123.8(12) . . ? O5B C13 La2 70.0(18) . . ? O6A C13 La2 62.5(11) . . ? O5A C13 La2 60.4(9) . . ? O6B C13 La2 56.8(9) . . ? C12 C13 La2 176.6(8) . . ? C11 C14 H24 109.5 . . ? C11 C14 H25 109.5 . . ? H24 C14 H25 109.5 . . ? C11 C14 H26 109.5 . . ? H24 C14 H26 109.5 . . ? H25 C14 H26 109.5 . . ? C11 C15 H27 109.5 . . ? C11 C15 H28 109.5 . . ? H27 C15 H28 109.5 . . ? C11 C15 H29 109.5 . . ? H27 C15 H29 109.5 . . ? H28 C15 H29 109.5 . . ? C20 C16 C19 109.2(6) . . ? C20 C16 C17 112.8(5) . . ? C19 C16 C17 111.3(6) . . ? C20 C16 S4 106.8(4) . . ? C19 C16 S4 109.8(4) . . ? C17 C16 S4 106.8(4) . . ? N4 C17 C16 109.9(5) . . ? N4 C17 C18 109.1(5) . . ? C16 C17 C18 113.6(5) . . ? N4 C17 H30 108.0 . . ? C16 C17 H30 108.0 . . ? C18 C17 H30 108.0 . . ? O7 C18 O8 125.9(6) . . ? O7 C18 C17 117.5(6) . . ? O8 C18 C17 116.5(6) . . ? C16 C19 H31 109.5 . . ? C16 C19 H32 109.5 . . ? H31 C19 H32 109.5 . . ? C16 C19 H33 109.5 . . ? H31 C19 H33 109.5 . . ? H32 C19 H33 109.5 . . ? C16 C20 H34 109.5 . . ? C16 C20 H35 109.5 . . ? H34 C20 H35 109.5 . . ? C16 C20 H36 109.5 . . ? H34 C20 H36 109.5 . . ? H35 C20 H36 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 S1 Cu1 Cl1 Cu4 -32.36(4) 5_665 . . 3_655 ? S1 Cu1 Cl1 Cu4 -152.36(4) 3_655 . . 3_655 ? S1 Cu1 Cl1 Cu4 87.64(4) . . . 3_655 ? S1 Cu1 Cl1 Cu4 87.64(4) 5_665 . . . ? S1 Cu1 Cl1 Cu4 -32.36(4) 3_655 . . . ? S1 Cu1 Cl1 Cu4 -152.36(4) . . . . ? S1 Cu1 Cl1 Cu4 -152.36(4) 5_665 . . 5_665 ? S1 Cu1 Cl1 Cu4 87.64(4) 3_655 . . 5_665 ? S1 Cu1 Cl1 Cu4 -32.36(4) . . . 5_665 ? S2 Cu4 Cl1 Cu1 -33.12(5) 3_655 . . . ? S3 Cu4 Cl1 Cu1 87.36(4) . . . . ? S4 Cu4 Cl1 Cu1 -151.80(4) 3_655 . . . ? S2 Cu4 Cl1 Cu4 86.07(8) 3_655 . . 3_655 ? S3 Cu4 Cl1 Cu4 -153.45(7) . . . 3_655 ? S4 Cu4 Cl1 Cu4 -32.61(8) 3_655 . . 3_655 ? S2 Cu4 Cl1 Cu4 -152.31(7) 3_655 . . 5_665 ? S3 Cu4 Cl1 Cu4 -31.83(8) . . . 5_665 ? S4 Cu4 Cl1 Cu4 89.01(7) 3_655 . . 5_665 ? N1 Pd1 S1 C1 13.2(3) . . . . ? S2 Pd1 S1 C1 -173.2(2) . . . . ? N1 Pd1 S1 Cu2 -112.17(18) . . . 5_665 ? S2 Pd1 S1 Cu2 61.37(8) . . . 5_665 ? N1 Pd1 S1 Cu1 135.88(18) . . . . ? S2 Pd1 S1 Cu1 -50.58(8) . . . . ? S1 Cu1 S1 C1 -66.4(2) 5_665 . . . ? S1 Cu1 S1 C1 106.3(2) 3_655 . . . ? Cl1 Cu1 S1 C1 -160.0(2) . . . . ? S1 Cu1 S1 Cu2 55.47(12) 5_665 . . 5_665 ? S1 Cu1 S1 Cu2 -131.78(8) 3_655 . . 5_665 ? Cl1 Cu1 S1 Cu2 -38.15(5) . . . 5_665 ? S1 Cu1 S1 Pd1 -179.93(5) 5_665 . . . ? S1 Cu1 S1 Pd1 -7.18(14) 3_655 . . . ? Cl1 Cu1 S1 Pd1 86.44(6) . . . . ? S1 Cu2 S2 C6 -127.6(2) 3_655 . . . ? S3 Cu2 S2 C6 74.5(2) . . . . ? S1 Cu2 S2 Pd1 -10.16(11) 3_655 . . . ? S3 Cu2 S2 Pd1 -168.06(7) . . . . ? S1 Cu2 S2 Cu4 110.04(8) 3_655 . . 5_665 ? S3 Cu2 S2 Cu4 -47.86(9) . . . 5_665 ? N2 Pd1 S2 C6 13.7(3) . . . . ? S1 Pd1 S2 C6 -173.0(2) . . . . ? N2 Pd1 S2 Cu2 -113.07(18) . . . . ? S1 Pd1 S2 Cu2 60.25(8) . . . . ? N2 Pd1 S2 Cu4 136.58(18) . . . 5_665 ? S1 Pd1 S2 Cu4 -50.10(8) . . . 5_665 ? S1 Cu2 S3 C11 74.1(3) 3_655 . . . ? S2 Cu2 S3 C11 -127.2(3) . . . . ? S1 Cu2 S3 Pd2 -168.17(7) 3_655 . . . ? S2 Cu2 S3 Pd2 -9.54(11) . . . . ? S1 Cu2 S3 Cu4 -46.23(9) 3_655 . . . ? S2 Cu2 S3 Cu4 112.40(8) . . . . ? N3 Pd2 S3 C11 12.0(4) . . . . ? S4 Pd2 S3 C11 -173.6(3) . . . . ? N3 Pd2 S3 Cu2 -114.2(3) . . . . ? S4 Pd2 S3 Cu2 60.12(9) . . . . ? N3 Pd2 S3 Cu4 133.0(3) . . . . ? S4 Pd2 S3 Cu4 -52.59(8) . . . . ? S2 Cu4 S3 C11 -65.9(3) 3_655 . . . ? S4 Cu4 S3 C11 108.9(3) 3_655 . . . ? Cl1 Cu4 S3 C11 -159.8(3) . . . . ? S2 Cu4 S3 Cu2 56.58(8) 3_655 . . . ? S4 Cu4 S3 Cu2 -128.63(7) 3_655 . . . ? Cl1 Cu4 S3 Cu2 -37.30(7) . . . . ? S2 Cu4 S3 Pd2 -179.12(7) 3_655 . . . ? S4 Cu4 S3 Pd2 -4.34(11) 3_655 . . . ? Cl1 Cu4 S3 Pd2 87.00(8) . . . . ? S4 Cu3 S4 C16 -122.4(2) 3_655 . . . ? S4 Cu3 S4 C16 71.7(2) 5_665 . . . ? S4 Cu3 S4 Pd2 -5.62(14) 3_655 . . . ? S4 Cu3 S4 Pd2 -171.52(4) 5_665 . . . ? S4 Cu3 S4 Cu4 116.18(8) 3_655 . . 5_665 ? S4 Cu3 S4 Cu4 -49.72(10) 5_665 . . 5_665 ? N4 Pd2 S4 C16 10.2(3) . . . . ? S3 Pd2 S4 C16 -175.8(2) . . . . ? N4 Pd2 S4 Cu3 -114.7(2) . . . . ? S3 Pd2 S4 Cu3 59.29(8) . . . . ? N4 Pd2 S4 Cu4 135.6(2) . . . 5_665 ? S3 Pd2 S4 Cu4 -50.44(8) . . . 5_665 ? O9 La1 O3 C8 -73.9(4) . . . . ? O3 La1 O3 C8 -155.6(3) 3_665 . . . ? O3 La1 O3 C8 7.8(6) 5_565 . . . ? O10 La1 O3 C8 112.3(4) . . . . ? O10 La1 O3 C8 141.0(5) 5_565 . . . ? O10 La1 O3 C8 67.3(4) 3_665 . . . ? O4 La1 O3 C8 -49.2(6) 5_565 . . . ? O4 La1 O3 C8 -144.1(5) 3_665 . . . ? O4 La1 O3 C8 -6.6(4) . . . . ? C8 La1 O3 C8 -8.0(5) 5_565 . . . ? C8 La1 O3 C8 -152.3(5) 3_665 . . . ? O9 La1 O4 C8 108.2(5) . . . . ? O3 La1 O4 C8 81.9(6) 3_665 . . . ? O3 La1 O4 C8 -160.1(5) 5_565 . . . ? O3 La1 O4 C8 6.6(4) . . . . ? O10 La1 O4 C8 -112.3(5) . . . . ? O10 La1 O4 C8 -26.6(5) 5_565 . . . ? O10 La1 O4 C8 -84.7(5) 3_665 . . . ? O4 La1 O4 C8 167.2(4) 5_565 . . . ? O4 La1 O4 C8 49.1(6) 3_665 . . . ? C8 La1 O4 C8 -174.3(5) 5_565 . . . ? C8 La1 O4 C8 56.4(4) 3_665 . . . ? O5A La2 O5A C13 133.1(12) 5 . . . ? O5A La2 O5A C13 -135.8(12) 3 . . . ? O6A La2 O5A C13 91.6(11) 5 . . . ? O6A La2 O5A C13 -7.1(10) . . . . ? O6A La2 O5A C13 -99.8(12) 3 . . . ? O6B La2 O6A C13 -109.7(14) 5 . . . ? O6B La2 O6A C13 -71.6(17) . . . . ? O6B La2 O6A C13 113.1(14) 3 . . . ? O5A La2 O6A C13 7.6(11) . . . . ? O5A La2 O6A C13 -44.5(15) 5 . . . ? O5A La2 O6A C13 70.3(14) 3 . . . ? O6A La2 O6A C13 -99.5(16) 5 . . . ? O6A La2 O6A C13 124.5(14) 3 . . . ? O12B La2 O5B C13 -95(2) 3 . . . ? O12B La2 O5B C13 -45(2) 5 . . . ? O12B La2 O5B C13 -92(2) . . . . ? O6B La2 O5B C13 30(4) 5 . . . ? O6B La2 O5B C13 -15.1(15) . . . . ? O6B La2 O5B C13 -154(2) 3 . . . ? O12B La2 O6B C13 140.3(16) 3 . . . ? O12B La2 O6B C13 157.9(18) 5 . . . ? O12B La2 O6B C13 102.8(16) . . . . ? O6B La2 O6B C13 -153.2(9) 5 . . . ? O6B La2 O6B C13 59.5(16) 3 . . . ? N2 Pd1 N1 C2 -172.3(5) . . . . ? S1 Pd1 N1 C2 14.6(4) . . . . ? N1 Pd1 N2 C7 -173.9(5) . . . . ? S2 Pd1 N2 C7 12.9(5) . . . . ? N4 Pd2 N3 C12 -172.9(9) . . . . ? S3 Pd2 N3 C12 13.3(9) . . . . ? N3 Pd2 N4 C17 -169.1(6) . . . . ? S4 Pd2 N4 C17 16.7(5) . . . . ? Cu2 S1 C1 C2 87.8(4) 5_665 . . . ? Pd1 S1 C1 C2 -39.2(4) . . . . ? Cu1 S1 C1 C2 -161.8(3) . . . . ? Cu2 S1 C1 C5 -33.6(6) 5_665 . . . ? Pd1 S1 C1 C5 -160.6(5) . . . . ? Cu1 S1 C1 C5 76.9(5) . . . . ? Cu2 S1 C1 C4 -153.3(4) 5_665 . . . ? Pd1 S1 C1 C4 79.6(5) . . . . ? Cu1 S1 C1 C4 -42.9(5) . . . . ? Pd1 N1 C2 C1 -45.7(7) . . . . ? Pd1 N1 C2 C3 -170.8(5) . . . . ? C5 C1 C2 N1 171.9(6) . . . . ? C4 C1 C2 N1 -61.5(7) . . . . ? S1 C1 C2 N1 55.4(6) . . . . ? C5 C1 C2 C3 -64.1(8) . . . . ? C4 C1 C2 C3 62.5(7) . . . . ? S1 C1 C2 C3 179.4(5) . . . . ? N1 C2 C3 O1 19.0(11) . . . . ? C1 C2 C3 O1 -104.5(9) . . . . ? N1 C2 C3 O2 -161.5(9) . . . . ? C1 C2 C3 O2 75.1(10) . . . . ? Cu2 S2 C6 C10 -30.5(6) . . . . ? Pd1 S2 C6 C10 -156.3(5) . . . . ? Cu4 S2 C6 C10 81.7(5) 5_665 . . . ? Cu2 S2 C6 C9 -153.1(4) . . . . ? Pd1 S2 C6 C9 81.1(5) . . . . ? Cu4 S2 C6 C9 -40.8(5) 5_665 . . . ? Cu2 S2 C6 C7 88.1(5) . . . . ? Pd1 S2 C6 C7 -37.7(5) . . . . ? Cu4 S2 C6 C7 -159.6(4) 5_665 . . . ? Pd1 N2 C7 C8 -165.7(4) . . . . ? Pd1 N2 C7 C6 -42.2(7) . . . . ? C10 C6 C7 N2 168.0(6) . . . . ? C9 C6 C7 N2 -67.2(7) . . . . ? S2 C6 C7 N2 51.4(6) . . . . ? C10 C6 C7 C8 -70.5(8) . . . . ? C9 C6 C7 C8 54.3(8) . . . . ? S2 C6 C7 C8 172.9(5) . . . . ? La1 O4 C8 O3 -11.9(7) . . . . ? La1 O4 C8 C7 167.2(6) . . . . ? La1 O3 C8 O4 12.8(8) . . . . ? La1 O3 C8 C7 -166.3(5) . . . . ? N2 C7 C8 O4 -163.1(6) . . . . ? C6 C7 C8 O4 74.9(8) . . . . ? N2 C7 C8 O3 16.1(9) . . . . ? C6 C7 C8 O3 -105.9(7) . . . . ? N2 C7 C8 La1 -54(2) . . . . ? C6 C7 C8 La1 -175.5(19) . . . . ? O9 La1 C8 O4 -65.3(4) . . . . ? O3 La1 C8 O4 -133.2(4) 3_665 . . . ? O3 La1 C8 O4 18.9(5) 5_565 . . . ? O3 La1 C8 O4 -168.0(7) . . . . ? O10 La1 C8 O4 96.2(5) . . . . ? O10 La1 C8 O4 155.6(5) 5_565 . . . ? O10 La1 C8 O4 86.1(5) 3_665 . . . ? O4 La1 C8 O4 -16.6(5) 5_565 . . . ? O4 La1 C8 O4 -134.2(6) 3_665 . . . ? C8 La1 C8 O4 6.4(6) 5_565 . . . ? C8 La1 C8 O4 -136.9(4) 3_665 . . . ? O9 La1 C8 O3 102.7(4) . . . . ? O3 La1 C8 O3 34.8(4) 3_665 . . . ? O3 La1 C8 O3 -173.1(5) 5_565 . . . ? O10 La1 C8 O3 -95.9(5) . . . . ? O10 La1 C8 O3 -36.4(4) 5_565 . . . ? O10 La1 C8 O3 -105.9(4) 3_665 . . . ? O4 La1 C8 O3 151.4(4) 5_565 . . . ? O4 La1 C8 O3 33.8(4) 3_665 . . . ? O4 La1 C8 O3 168.0(7) . . . . ? C8 La1 C8 O3 174.4(3) 5_565 . . . ? C8 La1 C8 O3 31.1(6) 3_665 . . . ? O9 La1 C8 C7 179(2) . . . . ? O3 La1 C8 C7 111(2) 3_665 . . . ? O3 La1 C8 C7 -97(2) 5_565 . . . ? O3 La1 C8 C7 77(2) . . . . ? O10 La1 C8 C7 -19(2) . . . . ? O10 La1 C8 C7 40(2) 5_565 . . . ? O10 La1 C8 C7 -29(2) 3_665 . . . ? O4 La1 C8 C7 -132(2) 5_565 . . . ? O4 La1 C8 C7 110(2) 3_665 . . . ? O4 La1 C8 C7 -115(2) . . . . ? C8 La1 C8 C7 -109(2) 5_565 . . . ? C8 La1 C8 C7 108(2) 3_665 . . . ? Cu2 S3 C11 C14 -29.3(8) . . . . ? Pd2 S3 C11 C14 -156.4(7) . . . . ? Cu4 S3 C11 C14 81.9(7) . . . . ? Cu2 S3 C11 C15 -151.0(6) . . . . ? Pd2 S3 C11 C15 82.0(6) . . . . ? Cu4 S3 C11 C15 -39.7(7) . . . . ? Cu2 S3 C11 C12 92.5(6) . . . . ? Pd2 S3 C11 C12 -34.6(6) . . . . ? Cu4 S3 C11 C12 -156.2(5) . . . . ? Pd2 N3 C12 C11 -41.8(13) . . . . ? Pd2 N3 C12 C13 -165.1(8) . . . . ? C14 C11 C12 N3 167.3(9) . . . . ? C15 C11 C12 N3 -66.0(11) . . . . ? S3 C11 C12 N3 49.6(10) . . . . ? C14 C11 C12 C13 -70.9(11) . . . . ? C15 C11 C12 C13 55.8(10) . . . . ? S3 C11 C12 C13 171.4(7) . . . . ? La2 O5B C13 O6B 24(2) . . . . ? La2 O5B C13 C12 177.1(7) . . . . ? La2 O6A C13 O5A -13.7(19) . . . . ? La2 O6A C13 C12 -177.6(9) . . . . ? La2 O5A C13 O6A 14.0(19) . . . . ? La2 O5A C13 C12 176.8(11) . . . . ? La2 O6B C13 O5B -27(3) . . . . ? La2 O6B C13 C12 -176.0(9) . . . . ? N3 C12 C13 O5B -93(2) . . . . ? C11 C12 C13 O5B 143(2) . . . . ? N3 C12 C13 O6A 1.6(19) . . . . ? C11 C12 C13 O6A -122.5(15) . . . . ? N3 C12 C13 O5A -162.3(14) . . . . ? C11 C12 C13 O5A 73.7(17) . . . . ? N3 C12 C13 O6B 59.6(18) . . . . ? C11 C12 C13 O6B -64.5(16) . . . . ? O6B La2 C13 O5B -165(2) 5 . . . ? O6B La2 C13 O5B 155(2) . . . . ? O6B La2 C13 O5B 27(2) 3 . . . ? O5A La2 C13 O6A -166.6(19) . . . . ? O5A La2 C13 O6A 143.4(13) 5 . . . ? O5A La2 C13 O6A -119.2(13) 3 . . . ? O6A La2 C13 O6A 91.9(15) 5 . . . ? O6A La2 C13 O6A -67.9(13) 3 . . . ? O5A La2 C13 O5A -50.1(13) 5 . . . ? O5A La2 C13 O5A 47.4(13) 3 . . . ? O6A La2 C13 O5A -101.6(11) 5 . . . ? O6A La2 C13 O5A 166.6(19) . . . . ? O6A La2 C13 O5A 98.7(12) 3 . . . ? O12B La2 C13 O6B -51.3(19) 3 . . . ? O12B La2 C13 O6B -19.2(16) 5 . . . ? O12B La2 C13 O6B -70.9(16) . . . . ? O6B La2 C13 O6B 39.4(10) 5 . . . ? O6B La2 C13 O6B -128.7(14) 3 . . . ? Cu3 S4 C16 C20 -30.5(5) . . . . ? Pd2 S4 C16 C20 -156.7(5) . . . . ? Cu4 S4 C16 C20 78.2(5) 5_665 . . . ? Cu3 S4 C16 C19 -148.7(5) . . . . ? Pd2 S4 C16 C19 85.0(5) . . . . ? Cu4 S4 C16 C19 -40.1(6) 5_665 . . . ? Cu3 S4 C16 C17 90.5(4) . . . . ? Pd2 S4 C16 C17 -35.7(4) . . . . ? Cu4 S4 C16 C17 -160.9(3) 5_665 . . . ? Pd2 N4 C17 C16 -45.7(7) . . . . ? Pd2 N4 C17 C18 -171.0(5) . . . . ? C20 C16 C17 N4 169.7(6) . . . . ? C19 C16 C17 N4 -67.1(7) . . . . ? S4 C16 C17 N4 52.7(6) . . . . ? C20 C16 C17 C18 -67.6(7) . . . . ? C19 C16 C17 C18 55.5(8) . . . . ? S4 C16 C17 C18 175.3(5) . . . . ? N4 C17 C18 O7 15.8(9) . . . . ? C16 C17 C18 O7 -107.2(8) . . . . ? N4 C17 C18 O8 -165.6(6) . . . . ? C16 C17 C18 O8 71.3(8) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N1 H1 O13 0.92 2.30 3.134(10) 150.9 . N1 H1 Cl2 0.92 2.30 3.134(10) 150.9 . N1 H2 O7 0.92 2.21 3.037(8) 148.6 4_665 N2 H3 O8 0.92 2.18 3.019(7) 151.2 4_665 N2 H3 O7 0.92 2.43 3.259(8) 149.7 4_665 N2 H4 O13 0.92 2.22 3.032(9) 147.3 . N2 H4 Cl2 0.92 2.22 3.032(9) 147.3 . N3 H5 O21 0.92 2.55 3.367(19) 148.6 . N3 H6 O25B 0.92 2.09 2.92(3) 149.9 . N3 H6 O25A 0.92 2.64 3.28(2) 126.8 . N4 H7 O25A 0.92 2.02 2.89(2) 158.0 . N4 H7 O25B 0.92 2.43 3.23(3) 145.9 . N4 H8 O21 0.92 2.20 3.015(13) 146.7 . _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 2.665 _refine_diff_density_min -1.668 _refine_diff_density_rms 0.119 #==END data_4 _database_code_depnum_ccdc_archive 'CCDC 779326' #TrackingRef '1319_web_deposit_cif_file_0_NobutoYoshinari_1275398352.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C62 H183 Ag8 Cl La2 N12 O62 Pd6 S12' _chemical_formula_weight 4288.55 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' La La -0.2871 2.4523 '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 tetragonal _symmetry_space_group_name_H-M 'P 41 21 2' _symmetry_space_group_name_Hall 'P 4abw 2nw' _symmetry_Int_Tables_number 92 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y+1/2, -z+3/4' '-x+1/2, y+1/2, -z+1/4' '-y, -x, -z+1/2' 'y, x, -z' 'y+1/2, -x+1/2, z+3/4' '-y+1/2, x+1/2, z+1/4' _cell_length_a 24.927(4) _cell_length_b 24.927(4) _cell_length_c 46.045(10) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 28610(8) _cell_formula_units_Z 8 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min 1.56 _cell_measurement_theta_max 27.57 _exptl_crystal_description needle _exptl_crystal_colour yellow _exptl_crystal_size_max 0.35 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.991 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 16880 _exptl_absorpt_coefficient_mu 2.661 _exptl_absorpt_correction_type 'multi scan' _exptl_absorpt_correction_T_min 0.686393 _exptl_absorpt_correction_T_max 0.801394 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _chemical_absolute_configuration rmad _diffrn_ambient_temperature 100(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 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 192404 _diffrn_reflns_av_R_equivalents 0.0855 _diffrn_reflns_av_sigmaI/netI 0.1618 _diffrn_reflns_limit_h_min -32 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_k_min -30 _diffrn_reflns_limit_k_max 32 _diffrn_reflns_limit_l_min -59 _diffrn_reflns_limit_l_max 59 _diffrn_reflns_theta_min 1.56 _diffrn_reflns_theta_max 27.57 _reflns_number_total 32969 _reflns_number_gt 18054 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0713P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.00(2) _refine_ls_number_reflns 32969 _refine_ls_number_parameters 1381 _refine_ls_number_restraints 44 _refine_ls_R_factor_all 0.1111 _refine_ls_R_factor_gt 0.0601 _refine_ls_wR_factor_ref 0.1491 _refine_ls_wR_factor_gt 0.1384 _refine_ls_goodness_of_fit_ref 0.933 _refine_ls_restrained_S_all 0.935 _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 Ag1 Ag 0.71208(4) 0.65604(4) 0.22785(3) 0.0435(3) Uani 1 1 d . . . Ag2 Ag 0.84585(4) 0.61015(4) 0.24873(2) 0.0347(2) Uani 1 1 d . . . Ag3 Ag 0.81020(4) 0.50038(4) 0.28849(2) 0.0406(3) Uani 1 1 d . . . Ag4 Ag 0.67479(4) 0.55774(4) 0.27382(2) 0.0310(2) Uani 1 1 d . . . Ag5 Ag 0.72925(4) 0.73215(4) 0.29047(2) 0.0312(2) Uani 1 1 d . . . Ag6 Ag 0.87110(5) 0.71398(5) 0.30986(3) 0.0582(4) Uani 1 1 d . . . Ag7 Ag 0.80061(4) 0.59139(4) 0.34450(2) 0.0326(2) Uani 1 1 d . . . Ag8 Ag 0.65067(4) 0.64009(4) 0.34684(2) 0.0305(2) Uani 1 1 d . . . Pd1 Pd 0.75550(4) 0.49710(4) 0.20383(2) 0.0281(2) Uani 1 1 d . . . Pd2 Pd 0.83075(5) 0.77110(4) 0.22625(3) 0.0442(3) Uani 1 1 d . . . Pd3 Pd 0.95410(4) 0.57041(4) 0.31228(2) 0.0277(2) Uani 1 1 d . . . Pd4 Pd 0.68492(4) 0.47676(4) 0.34935(2) 0.0298(2) Uani 1 1 d . . . Pd5 Pd 0.57106(4) 0.68222(4) 0.27109(2) 0.0256(2) Uani 1 1 d . . . Pd6 Pd 0.76551(4) 0.74581(4) 0.37538(2) 0.0281(2) Uani 1 1 d . . . Cl1 Cl 0.76219(11) 0.62296(11) 0.28936(6) 0.0254(7) Uani 1 1 d . . . S1 S 0.69517(12) 0.55910(12) 0.21963(7) 0.0287(8) Uani 1 1 d . . . S2 S 0.82294(13) 0.51506(12) 0.23571(7) 0.0300(8) Uani 1 1 d . . . S3 S 0.80555(14) 0.68532(13) 0.21844(7) 0.0360(8) Uani 1 1 d . . . S4 S 0.81762(13) 0.77051(13) 0.27501(8) 0.0367(8) Uani 1 1 d . . . S5 S 0.91706(13) 0.63588(13) 0.28407(8) 0.0352(8) Uani 1 1 d . . . S6 S 0.87531(12) 0.53189(12) 0.32561(7) 0.0260(7) Uani 1 1 d . . . S7 S 0.71530(12) 0.48088(12) 0.30295(7) 0.0321(8) Uani 1 1 d . . . S8 S 0.70981(12) 0.56162(12) 0.36131(7) 0.0258(7) Uani 1 1 d . . . S9 S 0.60550(12) 0.61529(12) 0.29927(7) 0.0257(7) Uani 1 1 d . . . S10 S 0.65158(12) 0.71463(12) 0.25581(7) 0.0279(7) Uani 1 1 d . . . S11 S 0.69927(12) 0.72883(12) 0.34272(7) 0.0255(7) Uani 1 1 d . . . S12 S 0.82657(12) 0.68658(13) 0.35705(8) 0.0337(8) Uani 1 1 d . . . O1 O 0.6089(4) 0.4514(4) 0.1464(2) 0.053(3) Uani 1 1 d . . . O2 O 0.5899(4) 0.5344(4) 0.1317(2) 0.060(3) Uani 1 1 d . . . O3 O 0.8826(4) 0.3913(3) 0.16023(19) 0.038(2) Uani 1 1 d . . . O4 O 0.9342(5) 0.3729(5) 0.1996(2) 0.081(4) Uani 1 1 d . . . O5 O 0.8710(5) 0.7565(5) 0.1290(3) 0.079(4) Uani 1 1 d . . . O6 O 0.7946(8) 0.7137(7) 0.1174(3) 0.130(7) Uani 1 1 d . . . O7 O 0.8551(9) 0.9549(6) 0.2414(4) 0.149(9) Uani 1 1 d . . . O8 O 0.9001(7) 0.9406(6) 0.2844(4) 0.143(8) Uani 1 1 d . . . O9 O 1.1107(4) 0.6497(5) 0.2745(2) 0.076(4) Uani 1 1 d . . . O10 O 1.0761(6) 0.7325(6) 0.2771(3) 0.104(5) Uani 1 1 d U . . O11 O 1.0226(3) 0.4298(3) 0.36901(19) 0.036(2) Uani 1 1 d . . . O12 O 0.9615(3) 0.3699(4) 0.3535(2) 0.051(3) Uani 1 1 d . . . O13 O 0.6346(4) 0.3028(4) 0.3170(2) 0.051(3) Uani 1 1 d . . . O14 O 0.7102(4) 0.2914(3) 0.2929(2) 0.052(3) Uani 1 1 d . . . O15 O 0.6675(6) 0.4687(7) 0.4512(3) 0.108(5) Uani 1 1 d U . . O16 O 0.6243(7) 0.5562(7) 0.4552(3) 0.128(8) Uani 1 1 d . . . O17 O 0.4143(4) 0.5868(4) 0.2977(3) 0.065(3) Uani 1 1 d . . . O18 O 0.4351(4) 0.5855(5) 0.3454(3) 0.072(3) Uani 1 1 d . . . O19 O 0.5092(4) 0.8218(3) 0.20855(18) 0.037(2) Uani 1 1 d . . . O20 O 0.5752(3) 0.8101(3) 0.17729(19) 0.038(2) Uani 1 1 d . . . O21 O 0.6466(4) 0.8861(4) 0.3989(2) 0.045(3) Uani 1 1 d . . . O22 O 0.5713(3) 0.8393(3) 0.3938(2) 0.041(2) Uani 1 1 d . . . O23 O 0.9050(5) 0.7653(6) 0.4434(3) 0.092(4) Uani 1 1 d . . . O24 O 0.9686(4) 0.7576(4) 0.4146(3) 0.069(4) Uani 1 1 d . . . N1 N 0.6994(4) 0.4817(4) 0.1722(2) 0.039(3) Uani 1 1 d . . . H1 H 0.7171 0.4748 0.1551 0.047 Uiso 1 1 calc R . . H2 H 0.6810 0.4511 0.1773 0.047 Uiso 1 1 calc R . . N2 N 0.8051(4) 0.4351(4) 0.1894(2) 0.032(3) Uani 1 1 d . . . H3 H 0.7851 0.4041 0.1890 0.038 Uiso 1 1 calc R . . H4 H 0.8149 0.4426 0.1706 0.038 Uiso 1 1 calc R . . N3 N 0.8329(6) 0.7780(5) 0.1822(3) 0.065(4) Uani 1 1 d . . . H5 H 0.8153 0.8089 0.1769 0.078 Uiso 1 1 calc R . . H6 H 0.8681 0.7813 0.1764 0.078 Uiso 1 1 calc R . . N4 N 0.8607(5) 0.8472(4) 0.2316(3) 0.050(3) Uani 1 1 d . B . H7 H 0.8926 0.8497 0.2217 0.060 Uiso 1 1 calc R . . H8 H 0.8372 0.8712 0.2233 0.060 Uiso 1 1 calc R . . N5 N 1.0265(4) 0.6054(4) 0.3036(2) 0.034(3) Uani 1 1 d . . . H9 H 1.0449 0.6096 0.3208 0.041 Uiso 1 1 calc R . . H10 H 1.0462 0.5827 0.2920 0.041 Uiso 1 1 calc R . . N6 N 0.9890(4) 0.5083(4) 0.3359(2) 0.026(2) Uani 1 1 d . . . H11 H 1.0209 0.4986 0.3274 0.031 Uiso 1 1 calc R . . H12 H 0.9962 0.5199 0.3545 0.031 Uiso 1 1 calc R . . N7 N 0.6689(4) 0.3970(4) 0.3414(2) 0.030(3) Uani 1 1 d . . . H13 H 0.6791 0.3771 0.3573 0.037 Uiso 1 1 calc R . . H14 H 0.6325 0.3927 0.3390 0.037 Uiso 1 1 calc R . . N8 N 0.6544(5) 0.4718(4) 0.3908(3) 0.052(3) Uani 1 1 d . . . H15 H 0.6190 0.4615 0.3898 0.062 Uiso 1 1 calc R . . H16 H 0.6727 0.4457 0.4009 0.062 Uiso 1 1 calc R . . N9 N 0.4979(4) 0.6581(4) 0.2862(2) 0.039(3) Uani 1 1 d . . . H17 H 0.4790 0.6879 0.2919 0.047 Uiso 1 1 calc R . . H18 H 0.4794 0.6424 0.2712 0.047 Uiso 1 1 calc R . . N10 N 0.5389(4) 0.7365(4) 0.2436(2) 0.028(2) Uani 1 1 d . . . H19 H 0.5091 0.7216 0.2351 0.034 Uiso 1 1 calc R . . H20 H 0.5277 0.7657 0.2543 0.034 Uiso 1 1 calc R . . N11 N 0.7114(4) 0.8004(4) 0.3937(2) 0.033(3) Uani 1 1 d . . . H21 H 0.7118 0.7961 0.4136 0.039 Uiso 1 1 calc R . . H22 H 0.7232 0.8346 0.3898 0.039 Uiso 1 1 calc R . . N12 N 0.8247(4) 0.7658(5) 0.4042(3) 0.052(4) Uani 1 1 d . . . H23 H 0.8255 0.8025 0.4061 0.062 Uiso 1 1 calc R . . H24 H 0.8161 0.7516 0.4221 0.062 Uiso 1 1 calc R . . C1 C 0.6373(5) 0.5414(5) 0.1969(3) 0.034(3) Uani 1 1 d . . . C2 C 0.6614(5) 0.5234(5) 0.1671(3) 0.038(4) Uani 1 1 d . . . H25 H 0.6794 0.5545 0.1575 0.045 Uiso 1 1 calc R . . C3 C 0.6147(5) 0.5001(7) 0.1463(3) 0.045(4) Uani 1 1 d . . . C4 C 0.6058(5) 0.4993(6) 0.2098(3) 0.045(4) Uani 1 1 d . . . H26 H 0.6281 0.4673 0.2123 0.067 Uiso 1 1 calc R . . H27 H 0.5754 0.4909 0.1971 0.067 Uiso 1 1 calc R . . H28 H 0.5925 0.5112 0.2288 0.067 Uiso 1 1 calc R . . C5 C 0.6026(6) 0.5929(6) 0.1923(4) 0.062(5) Uani 1 1 d . . . H29 H 0.6247 0.6209 0.1834 0.092 Uiso 1 1 calc R . . H30 H 0.5891 0.6055 0.2110 0.092 Uiso 1 1 calc R . . H31 H 0.5724 0.5845 0.1795 0.092 Uiso 1 1 calc R . . C6 C 0.8784(5) 0.4788(5) 0.2179(3) 0.035(3) Uani 1 1 d . . . C7 C 0.8546(5) 0.4244(5) 0.2063(3) 0.036(3) Uani 1 1 d . . . H32 H 0.8452 0.4013 0.2233 0.043 Uiso 1 1 calc R . . C8 C 0.8931(5) 0.3926(5) 0.1862(4) 0.047(4) Uani 1 1 d . . . C9 C 0.9003(5) 0.5107(6) 0.1926(3) 0.047(4) Uani 1 1 d . . . H33 H 0.8721 0.5158 0.1781 0.070 Uiso 1 1 calc R . . H34 H 0.9304 0.4912 0.1839 0.070 Uiso 1 1 calc R . . H35 H 0.9127 0.5457 0.1996 0.070 Uiso 1 1 calc R . . C10 C 0.9211(5) 0.4705(7) 0.2422(3) 0.063(5) Uani 1 1 d . . . H36 H 0.9053 0.4501 0.2582 0.094 Uiso 1 1 calc R . . H37 H 0.9332 0.5055 0.2494 0.094 Uiso 1 1 calc R . . H38 H 0.9518 0.4507 0.2343 0.094 Uiso 1 1 calc R . . C11 C 0.8240(5) 0.6776(5) 0.1805(3) 0.034(3) Uani 1 1 d . . . C12 C 0.8082(8) 0.7316(8) 0.1663(3) 0.072(6) Uani 1 1 d . . . H39 H 0.7682 0.7355 0.1663 0.086 Uiso 1 1 calc R . . C13 C 0.8301(12) 0.7357(8) 0.1342(4) 0.082(7) Uani 1 1 d . . . C14 C 0.8848(5) 0.6701(5) 0.1781(3) 0.039(4) Uani 1 1 d . . . H40 H 0.9030 0.7009 0.1869 0.058 Uiso 1 1 calc R . . H41 H 0.8949 0.6676 0.1575 0.058 Uiso 1 1 calc R . . H42 H 0.8954 0.6372 0.1881 0.058 Uiso 1 1 calc R . . C15 C 0.7950(6) 0.6323(6) 0.1680(3) 0.056(4) Uani 1 1 d . . . H43 H 0.7563 0.6386 0.1697 0.084 Uiso 1 1 calc R . . H44 H 0.8045 0.5994 0.1784 0.084 Uiso 1 1 calc R . . H45 H 0.8047 0.6286 0.1475 0.084 Uiso 1 1 calc R . . C16 C 0.8213(6) 0.8441(5) 0.2804(3) 0.043(4) Uani 1 1 d . B . C17 C 0.8698(6) 0.8631(5) 0.2618(4) 0.054(4) Uani 1 1 d DU . . H46 H 0.9041 0.8475 0.2693 0.065 Uiso 1 1 calc R B . C18 C 0.8742(9) 0.9284(7) 0.2594(5) 0.087(7) Uani 1 1 d D B . C19 C 0.7725(6) 0.8734(6) 0.2725(4) 0.060(5) Uani 1 1 d . . . H47 H 0.7422 0.8597 0.2839 0.090 Uiso 1 1 calc R B . H48 H 0.7652 0.8686 0.2518 0.090 Uiso 1 1 calc R . . H49 H 0.7774 0.9117 0.2767 0.090 Uiso 1 1 calc R . . C20 C 0.8305(6) 0.8495(6) 0.3146(4) 0.067(5) Uani 1 1 d . . . H50 H 0.8630 0.8299 0.3201 0.101 Uiso 1 1 calc R B . H51 H 0.7996 0.8346 0.3249 0.101 Uiso 1 1 calc R . . H52 H 0.8347 0.8875 0.3197 0.101 Uiso 1 1 calc R . . C21 C 0.9778(5) 0.6593(5) 0.2649(3) 0.032(3) Uani 1 1 d U . . C22 C 1.0219(6) 0.6598(6) 0.2887(3) 0.047(4) Uani 1 1 d . . . H53 H 1.0080 0.6846 0.3040 0.056 Uiso 1 1 calc R . . C23 C 1.0741(7) 0.6833(7) 0.2795(4) 0.060(4) Uani 1 1 d U . . C24 C 0.9926(5) 0.6213(5) 0.2418(3) 0.039(3) Uani 1 1 d . . . H54 H 0.9998 0.5860 0.2503 0.058 Uiso 1 1 calc R . . H55 H 1.0249 0.6342 0.2318 0.058 Uiso 1 1 calc R . . H56 H 0.9631 0.6184 0.2278 0.058 Uiso 1 1 calc R . . C25 C 0.9670(6) 0.7129(5) 0.2515(3) 0.051(4) Uani 1 1 d . . . H57 H 0.9577 0.7387 0.2667 0.077 Uiso 1 1 calc R . . H58 H 0.9370 0.7098 0.2378 0.077 Uiso 1 1 calc R . . H59 H 0.9990 0.7253 0.2412 0.077 Uiso 1 1 calc R . . C26 C 0.8990(5) 0.4759(5) 0.3496(3) 0.025(3) Uani 1 1 d . . . C27 C 0.9528(5) 0.4612(5) 0.3372(3) 0.030(3) Uani 1 1 d . . . H60 H 0.9470 0.4484 0.3168 0.036 Uiso 1 1 calc R . . C28 C 0.9816(5) 0.4155(6) 0.3543(3) 0.036(3) Uani 1 1 d U . . C29 C 0.9029(5) 0.4964(6) 0.3801(3) 0.039(3) Uani 1 1 d . . . H61 H 0.9301 0.5247 0.3810 0.058 Uiso 1 1 calc R . . H62 H 0.9132 0.4669 0.3930 0.058 Uiso 1 1 calc R . . H63 H 0.8681 0.5109 0.3861 0.058 Uiso 1 1 calc R . . C30 C 0.8574(5) 0.4314(5) 0.3468(3) 0.040(3) Uani 1 1 d . . . H64 H 0.8558 0.4193 0.3266 0.060 Uiso 1 1 calc R . . H65 H 0.8222 0.4451 0.3527 0.060 Uiso 1 1 calc R . . H66 H 0.8675 0.4013 0.3593 0.060 Uiso 1 1 calc R . . C31 C 0.6919(5) 0.4144(5) 0.2901(3) 0.033(3) Uani 1 1 d . . . C32 C 0.6965(5) 0.3764(5) 0.3156(3) 0.032(3) Uani 1 1 d . . . H67 H 0.7355 0.3748 0.3207 0.039 Uiso 1 1 calc R . . C33 C 0.6798(6) 0.3185(5) 0.3077(3) 0.039(3) Uani 1 1 d . . . C34 C 0.6336(5) 0.4185(5) 0.2817(3) 0.039(3) Uani 1 1 d . . . H68 H 0.6297 0.4436 0.2654 0.059 Uiso 1 1 calc R . . H69 H 0.6127 0.4314 0.2983 0.059 Uiso 1 1 calc R . . H70 H 0.6204 0.3830 0.2758 0.059 Uiso 1 1 calc R . . C35 C 0.7255(5) 0.3991(5) 0.2647(3) 0.039(3) Uani 1 1 d . . . H71 H 0.7631 0.3961 0.2707 0.058 Uiso 1 1 calc R . . H72 H 0.7224 0.4266 0.2495 0.058 Uiso 1 1 calc R . . H73 H 0.7133 0.3645 0.2570 0.058 Uiso 1 1 calc R . . C36 C 0.7106(5) 0.5539(5) 0.4015(3) 0.032(3) Uani 1 1 d . . . C37 C 0.6583(5) 0.5253(6) 0.4077(3) 0.043(4) Uani 1 1 d . . . H74 H 0.6287 0.5489 0.4005 0.052 Uiso 1 1 calc R . . C38 C 0.6484(8) 0.5160(10) 0.4411(4) 0.093(8) Uani 1 1 d . . . C39 C 0.7607(5) 0.5230(5) 0.4102(3) 0.040(4) Uani 1 1 d . . . H75 H 0.7600 0.4874 0.4012 0.060 Uiso 1 1 calc R . . H76 H 0.7618 0.5192 0.4314 0.060 Uiso 1 1 calc R . . H77 H 0.7926 0.5425 0.4036 0.060 Uiso 1 1 calc R . . C40 C 0.7119(5) 0.6106(5) 0.4151(3) 0.041(4) Uani 1 1 d . . . H78 H 0.6804 0.6309 0.4086 0.061 Uiso 1 1 calc R . . H79 H 0.7446 0.6292 0.4089 0.061 Uiso 1 1 calc R . . H80 H 0.7114 0.6076 0.4363 0.061 Uiso 1 1 calc R . . C41 C 0.5414(5) 0.5776(5) 0.3058(3) 0.028(3) Uani 1 1 d . . . C42 C 0.4997(5) 0.6195(5) 0.3111(3) 0.032(3) Uani 1 1 d . . . H81 H 0.5115 0.6402 0.3285 0.039 Uiso 1 1 calc R . . C43 C 0.4469(6) 0.5970(6) 0.3179(4) 0.057(5) Uani 1 1 d . . . C44 C 0.5292(5) 0.5446(5) 0.2791(3) 0.031(3) Uani 1 1 d . . . H82 H 0.5574 0.5176 0.2764 0.047 Uiso 1 1 calc R . . H83 H 0.5277 0.5681 0.2620 0.047 Uiso 1 1 calc R . . H84 H 0.4945 0.5266 0.2815 0.047 Uiso 1 1 calc R . . C45 C 0.5526(5) 0.5430(5) 0.3314(3) 0.032(3) Uani 1 1 d . . . H85 H 0.5806 0.5170 0.3264 0.048 Uiso 1 1 calc R . . H86 H 0.5199 0.5240 0.3370 0.048 Uiso 1 1 calc R . . H87 H 0.5648 0.5654 0.3476 0.048 Uiso 1 1 calc R . . C46 C 0.6300(5) 0.7743(5) 0.2335(3) 0.038(4) Uani 1 1 d . . . C47 C 0.5759(5) 0.7558(5) 0.2200(3) 0.033(3) Uani 1 1 d . . . H88 H 0.5837 0.7244 0.2072 0.040 Uiso 1 1 calc R . . C48 C 0.5504(5) 0.8003(4) 0.2006(3) 0.025(3) Uani 1 1 d . . . C49 C 0.6201(5) 0.8235(5) 0.2529(3) 0.037(4) Uani 1 1 d . . . H89 H 0.5915 0.8154 0.2668 0.056 Uiso 1 1 calc R . . H90 H 0.6095 0.8540 0.2408 0.056 Uiso 1 1 calc R . . H91 H 0.6532 0.8323 0.2634 0.056 Uiso 1 1 calc R . . C50 C 0.6732(5) 0.7837(5) 0.2106(3) 0.043(4) Uani 1 1 d . . . H92 H 0.6776 0.7513 0.1988 0.064 Uiso 1 1 calc R . . H93 H 0.7073 0.7923 0.2202 0.064 Uiso 1 1 calc R . . H94 H 0.6626 0.8137 0.1981 0.064 Uiso 1 1 calc R . . C51 C 0.6552(4) 0.7876(5) 0.3502(3) 0.027(3) Uani 1 1 d U . . C52 C 0.6549(4) 0.7954(5) 0.3834(3) 0.028(3) Uani 1 1 d . . . H95 H 0.6383 0.7632 0.3927 0.034 Uiso 1 1 calc R . . C53 C 0.6235(6) 0.8463(5) 0.3930(3) 0.036(3) Uani 1 1 d . . . C54 C 0.6752(6) 0.8367(5) 0.3351(3) 0.046(4) Uani 1 1 d . . . H96 H 0.6501 0.8663 0.3383 0.069 Uiso 1 1 calc R . . H97 H 0.6782 0.8295 0.3142 0.069 Uiso 1 1 calc R . . H98 H 0.7105 0.8464 0.3429 0.069 Uiso 1 1 calc R . . C55 C 0.6013(5) 0.7727(5) 0.3359(3) 0.044(4) Uani 1 1 d . . . H99 H 0.5746 0.8003 0.3404 0.066 Uiso 1 1 calc R . . H100 H 0.5890 0.7380 0.3435 0.066 Uiso 1 1 calc R . . H101 H 0.6061 0.7702 0.3148 0.066 Uiso 1 1 calc R . . C56 C 0.8781(5) 0.6893(5) 0.3871(3) 0.040(4) Uani 1 1 d . . . C57 C 0.8820(5) 0.7457(5) 0.3954(3) 0.046(4) Uani 1 1 d . . . H102 H 0.8933 0.7664 0.3778 0.055 Uiso 1 1 calc R . . C58 C 0.9228(8) 0.7559(6) 0.4189(4) 0.061(5) Uani 1 1 d . . . C59 C 0.8623(6) 0.6521(5) 0.4105(3) 0.044(4) Uani 1 1 d . . . H103 H 0.8613 0.6154 0.4029 0.066 Uiso 1 1 calc R . . H104 H 0.8266 0.6619 0.4177 0.066 Uiso 1 1 calc R . . H105 H 0.8883 0.6542 0.4264 0.066 Uiso 1 1 calc R . . C60 C 0.9306(5) 0.6700(5) 0.3738(3) 0.040(4) Uani 1 1 d . . . H106 H 0.9268 0.6324 0.3679 0.060 Uiso 1 1 calc R . . H107 H 0.9594 0.6731 0.3882 0.060 Uiso 1 1 calc R . . H108 H 0.9392 0.6919 0.3568 0.060 Uiso 1 1 calc R . . O25 O 0.9495(5) 0.7794(5) 0.3210(3) 0.084(4) Uani 1 1 d . . . O26 O 0.5856(4) 0.6525(4) 0.3883(2) 0.051(3) Uani 1 1 d . . . La1 La 0.57793(3) 0.87786(3) 0.138178(17) 0.03105(19) Uani 1 1 d . . . La2 La 0.61403(5) 0.61403(5) 0.5000 0.0812(5) Uani 1 2 d SD . . La3 La 0.86655(18) 1.13345(18) 0.2500 0.1140(19) Uiso 0.36 2 d SP A . La4 La 0.8949(4) 1.0478(4) 0.2736(2) 0.115(3) Uiso 0.17 1 d P B . La5 La 0.8426(6) 1.1017(7) 0.3043(3) 0.176(6) Uiso 0.15 1 d P C . O27 O 0.5832(5) 0.9302(4) 0.1890(2) 0.057(3) Uani 1 1 d . . . O28 O 0.6593(5) 0.9103(5) 0.1665(4) 0.105(5) Uani 1 1 d . . . C61 C 0.6297(8) 0.9299(9) 0.1902(5) 0.081(7) Uani 1 1 d . . . C62 C 0.6665(9) 0.9540(8) 0.2160(5) 0.117(9) Uani 1 1 d . . . H109 H 0.7045 0.9490 0.2112 0.175 Uiso 1 1 calc R . . H110 H 0.6583 0.9354 0.2342 0.175 Uiso 1 1 calc R . . H111 H 0.6590 0.9924 0.2183 0.175 Uiso 1 1 calc R . . O29 O 0.5007(3) 0.8874(3) 0.10221(19) 0.040(2) Uani 1 1 d . . . O30 O 0.4845(3) 0.8889(3) 0.16514(18) 0.033(2) Uani 1 1 d . . . O31 O 0.6631(5) 0.8193(5) 0.1331(3) 0.087(4) Uani 1 1 d . . . O32 O 0.5481(7) 0.7877(4) 0.1180(3) 0.116(6) Uani 1 1 d . . . O33 O 0.7136(5) 0.6315(6) 0.4874(3) 0.101(5) Uani 1 1 d . . . O34 O 0.6150(6) 0.6713(6) 0.4518(3) 0.108(5) Uani 1 1 d . . . O35 O 0.5209(6) 0.6605(7) 0.4880(3) 0.123(6) Uani 1 1 d . . . O36 O 0.54071(15) 0.54071(15) 0.5000 0.129(10) Uiso 1 2 d SPD . . O37 O 0.5300(4) 0.9283(4) 0.3616(2) 0.050(3) Uiso 1 1 d . . . O38 O 0.5206(4) 0.7409(4) 0.3891(2) 0.069(3) Uiso 1 1 d . . . O39 O 0.7832(5) 0.4832(5) 0.1250(2) 0.076(3) Uiso 1 1 d . . . O40 O 0.5240(4) 0.4638(4) 0.0973(2) 0.070(3) Uiso 1 1 d . . . O41 O 0.8473(5) 0.7729(5) 0.4918(2) 0.077(4) Uiso 1 1 d . . . O42 O 0.9968(4) 0.6878(4) 0.4621(2) 0.062(3) Uiso 1 1 d . . . O43 O 0.5050(5) 0.6060(4) 0.1281(2) 0.071(3) Uiso 1 1 d . . . O44 O 0.7428(5) 0.3685(5) 0.1289(3) 0.096(4) Uiso 1 1 d . . . O45 O 0.5005(6) 0.5847(6) 0.3950(4) 0.124(5) Uiso 1 1 d . . . O46 O 0.5062(6) 0.9333(5) 0.2357(3) 0.101(4) Uiso 1 1 d . . . O47 O 0.7710(6) 0.7148(6) 0.4660(3) 0.106(5) Uiso 1 1 d . . . O48 O 0.6435(6) 0.3877(6) 0.0983(3) 0.115(5) Uiso 1 1 d . . . O49 O 0.5028(7) 0.6533(7) 0.0783(4) 0.138(6) Uiso 1 1 d . . . O50 O 0.7069(7) 0.8041(7) 0.4570(4) 0.145(6) Uiso 1 1 d . . . O51 O 0.6348(7) 0.7537(7) 0.0745(4) 0.146(6) Uiso 1 1 d . . . O52 O 0.9164(7) 0.3200(7) 0.3062(4) 0.139(6) Uiso 1 1 d . . . O53 O 0.5390(7) 0.6971(7) 0.1527(4) 0.139(6) Uiso 1 1 d . . . O54 O 0.8124(7) 0.2888(7) 0.3112(4) 0.142(6) Uiso 1 1 d . . . O55 O 0.5483(7) 0.9180(8) 0.2976(4) 0.152(7) Uiso 1 1 d . . . O56 O 0.4640(9) 0.6809(9) 0.1994(5) 0.189(9) Uiso 1 1 d . . . O57 O 0.6890(6) 0.8075(6) 0.0329(3) 0.122(5) Uiso 1 1 d . . . O58 O 0.6526(10) 0.9495(9) 0.2898(5) 0.080(7) Uiso 0.50 1 d P . . O59 O 0.7942(12) 1.0529(12) 0.2564(7) 0.117(10) Uiso 0.50 1 d P A 1 O60 O 0.6560(13) 0.7052(13) 0.1501(7) 0.126(11) Uiso 0.50 1 d P . . O61 O 0.4711(8) 0.7659(8) 0.0793(4) 0.054(5) Uiso 0.50 1 d P . . O62 O 0.4258(9) 0.7560(9) 0.1295(5) 0.075(7) Uiso 0.50 1 d P D 1 O63 O 0.7633(9) 0.8816(9) 0.1899(5) 0.073(7) Uiso 0.50 1 d P . . O64 O 0.6428(11) 0.6189(11) 0.1074(6) 0.102(9) Uiso 0.50 1 d P . . O65 O 0.8352(10) 0.8806(10) 0.3893(5) 0.087(8) Uiso 0.50 1 d P . . O66 O 0.5181(10) 0.4630(10) 0.4613(5) 0.081(7) Uiso 0.50 1 d P . . O67 O 0.7196(11) 0.5454(11) 0.0830(6) 0.095(8) Uiso 0.50 1 d P . . O68 O 0.8483(12) 1.1877(12) 0.2761(7) 0.118(10) Uiso 0.50 1 d P C 3 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 Ag1 0.0440(7) 0.0299(6) 0.0567(8) -0.0034(5) 0.0163(6) -0.0007(5) Ag2 0.0365(6) 0.0309(6) 0.0368(6) -0.0027(5) 0.0045(5) 0.0000(4) Ag3 0.0328(6) 0.0522(7) 0.0368(6) 0.0004(5) -0.0063(5) -0.0026(5) Ag4 0.0272(5) 0.0245(5) 0.0412(6) -0.0023(5) 0.0014(5) 0.0017(4) Ag5 0.0296(6) 0.0271(5) 0.0368(6) -0.0006(5) -0.0005(5) 0.0034(4) Ag6 0.0595(8) 0.0665(9) 0.0486(8) 0.0023(6) 0.0072(6) 0.0289(6) Ag7 0.0238(5) 0.0364(6) 0.0375(6) -0.0029(5) 0.0004(5) 0.0000(4) Ag8 0.0302(6) 0.0236(5) 0.0378(6) 0.0020(4) -0.0029(5) 0.0013(4) Pd1 0.0260(6) 0.0261(5) 0.0323(6) -0.0046(4) -0.0011(4) -0.0001(4) Pd2 0.0493(7) 0.0298(6) 0.0534(8) 0.0054(6) 0.0221(6) -0.0019(5) Pd3 0.0213(5) 0.0274(6) 0.0345(6) -0.0001(5) 0.0011(4) -0.0003(4) Pd4 0.0251(6) 0.0206(5) 0.0435(7) 0.0007(5) -0.0055(5) 0.0019(4) Pd5 0.0241(5) 0.0202(5) 0.0324(6) 0.0039(4) 0.0002(4) 0.0047(4) Pd6 0.0160(5) 0.0273(5) 0.0409(6) -0.0099(4) -0.0009(4) 0.0029(4) Cl1 0.0255(16) 0.0225(15) 0.0282(17) -0.0030(13) 0.0022(13) 0.0027(12) S1 0.0224(17) 0.0250(17) 0.039(2) -0.0037(14) 0.0004(14) -0.0016(13) S2 0.0265(18) 0.0317(18) 0.0318(19) -0.0086(15) -0.0045(15) 0.0069(14) S3 0.041(2) 0.0306(19) 0.037(2) 0.0052(16) 0.0087(16) 0.0016(15) S4 0.0333(19) 0.0290(19) 0.048(2) 0.0012(17) 0.0093(17) -0.0003(15) S5 0.0284(19) 0.034(2) 0.043(2) 0.0014(16) 0.0024(16) 0.0024(14) S6 0.0175(16) 0.0293(18) 0.0312(19) 0.0001(14) -0.0006(14) 0.0028(13) S7 0.0238(18) 0.0259(18) 0.046(2) -0.0037(16) -0.0066(15) 0.0018(13) S8 0.0247(17) 0.0218(17) 0.0309(18) 0.0006(14) 0.0016(14) 0.0038(13) S9 0.0248(17) 0.0198(17) 0.0325(18) 0.0036(14) 0.0009(14) 0.0019(13) S10 0.0278(18) 0.0225(17) 0.033(2) 0.0062(14) -0.0043(15) 0.0038(13) S11 0.0239(17) 0.0207(16) 0.0320(19) -0.0037(14) 0.0011(14) 0.0035(12) S12 0.0235(18) 0.0324(19) 0.045(2) -0.0109(16) -0.0029(15) 0.0072(14) O1 0.056(7) 0.050(7) 0.054(7) -0.009(6) -0.012(5) -0.004(6) O2 0.044(6) 0.060(7) 0.075(8) 0.000(6) -0.016(6) 0.016(5) O3 0.060(6) 0.034(5) 0.022(5) -0.006(4) 0.009(5) -0.005(5) O4 0.088(9) 0.080(9) 0.074(9) -0.032(7) -0.013(7) 0.045(7) O5 0.088(10) 0.064(9) 0.084(10) 0.028(7) 0.042(8) -0.016(7) O6 0.192(18) 0.155(16) 0.043(9) 0.049(10) 0.003(10) 0.040(14) O7 0.25(2) 0.047(9) 0.149(17) 0.043(10) -0.003(15) -0.010(11) O8 0.141(14) 0.104(12) 0.185(17) -0.077(12) 0.089(13) -0.085(11) O9 0.038(7) 0.118(11) 0.073(8) 0.023(8) 0.010(6) -0.026(7) O10 0.113(8) 0.084(7) 0.116(8) 0.000(7) 0.003(7) -0.052(7) O11 0.029(5) 0.034(5) 0.045(6) -0.006(4) 0.005(4) 0.005(4) O12 0.033(6) 0.031(6) 0.088(8) 0.015(5) -0.008(5) -0.006(4) O13 0.038(6) 0.030(6) 0.086(8) -0.005(5) 0.004(6) -0.007(4) O14 0.053(7) 0.017(5) 0.085(8) -0.003(5) -0.002(6) 0.006(4) O15 0.094(8) 0.121(8) 0.110(8) 0.032(7) 0.003(7) -0.027(7) O16 0.204(18) 0.152(15) 0.028(7) -0.040(9) 0.039(9) -0.121(14) O17 0.039(7) 0.058(7) 0.098(9) 0.019(7) 0.005(7) -0.001(5) O18 0.049(7) 0.079(9) 0.090(9) 0.012(7) 0.026(7) -0.013(6) O19 0.049(6) 0.031(5) 0.030(5) 0.007(4) -0.003(5) 0.013(4) O20 0.035(5) 0.046(6) 0.032(5) 0.019(4) -0.002(4) 0.010(4) O21 0.039(6) 0.029(6) 0.069(7) -0.031(5) -0.006(5) 0.000(4) O22 0.016(5) 0.040(6) 0.067(7) -0.004(5) 0.013(4) 0.010(4) O23 0.048(7) 0.132(12) 0.096(10) -0.044(9) -0.043(7) -0.009(7) O24 0.017(6) 0.036(6) 0.153(12) -0.006(6) -0.021(6) 0.010(4) N1 0.039(7) 0.044(7) 0.033(7) -0.017(5) -0.012(5) 0.008(6) N2 0.033(6) 0.027(6) 0.037(6) -0.026(5) -0.003(5) -0.009(5) N3 0.113(12) 0.029(7) 0.052(9) 0.003(6) 0.018(8) -0.020(7) N4 0.054(8) 0.041(7) 0.056(8) 0.002(6) 0.029(7) -0.013(6) N5 0.016(5) 0.022(6) 0.066(8) 0.006(5) -0.006(5) -0.007(4) N6 0.021(6) 0.028(6) 0.029(6) 0.006(5) 0.006(4) -0.004(4) N7 0.036(6) 0.025(6) 0.030(7) 0.008(5) -0.011(5) 0.000(5) N8 0.050(8) 0.040(7) 0.065(9) 0.011(7) -0.014(7) -0.016(6) N9 0.036(7) 0.031(7) 0.051(8) -0.003(6) 0.011(6) 0.020(5) N10 0.023(6) 0.022(6) 0.040(7) 0.004(5) 0.008(5) 0.004(4) N11 0.018(6) 0.045(7) 0.034(7) -0.004(5) 0.000(5) 0.005(5) N12 0.020(6) 0.045(7) 0.091(10) -0.035(7) -0.012(6) 0.019(5) C1 0.035(8) 0.033(8) 0.034(8) -0.010(6) -0.008(6) 0.010(6) C2 0.047(9) 0.039(8) 0.027(8) 0.013(6) -0.015(7) -0.013(7) C3 0.027(8) 0.075(12) 0.034(9) -0.013(9) 0.004(7) 0.017(8) C4 0.037(9) 0.061(10) 0.036(9) -0.001(8) 0.006(7) -0.003(7) C5 0.041(10) 0.064(11) 0.080(12) 0.015(9) -0.021(9) 0.017(8) C6 0.034(8) 0.029(8) 0.042(9) -0.004(6) 0.000(7) 0.013(6) C7 0.047(9) 0.034(8) 0.027(8) -0.010(6) -0.002(7) 0.000(6) C8 0.023(8) 0.029(8) 0.087(14) -0.004(8) 0.013(8) 0.007(6) C9 0.032(8) 0.052(10) 0.056(10) -0.004(8) 0.016(7) -0.004(7) C10 0.022(8) 0.100(14) 0.065(12) -0.034(10) -0.002(8) 0.021(8) C11 0.042(8) 0.032(8) 0.026(8) 0.005(6) 0.011(6) -0.001(6) C12 0.093(14) 0.096(15) 0.027(9) 0.017(10) 0.022(9) 0.028(11) C13 0.15(2) 0.063(14) 0.032(12) -0.004(10) -0.002(14) 0.048(15) C14 0.044(9) 0.026(8) 0.046(9) -0.005(6) 0.025(7) -0.003(6) C15 0.067(11) 0.065(11) 0.036(9) 0.014(8) 0.025(8) 0.006(9) C16 0.048(9) 0.025(7) 0.056(10) 0.006(7) 0.019(8) -0.012(7) C17 0.049(7) 0.039(7) 0.075(8) 0.001(6) 0.009(7) -0.019(6) C18 0.083(15) 0.063(15) 0.11(2) -0.055(14) 0.023(14) -0.013(12) C19 0.042(9) 0.041(9) 0.096(13) 0.014(9) 0.022(9) 0.003(7) C20 0.041(10) 0.059(11) 0.102(15) -0.046(10) 0.016(9) -0.019(8) C21 0.039(6) 0.024(6) 0.034(6) -0.016(5) 0.003(5) -0.009(5) C22 0.043(9) 0.043(9) 0.055(10) 0.002(8) 0.002(8) -0.010(7) C23 0.059(8) 0.060(8) 0.062(8) 0.001(7) 0.005(7) -0.030(7) C24 0.026(8) 0.048(9) 0.041(9) -0.010(7) 0.001(6) -0.010(6) C25 0.055(10) 0.035(9) 0.064(10) 0.028(8) 0.019(8) 0.006(7) C26 0.028(7) 0.027(7) 0.020(7) 0.007(6) -0.003(6) -0.004(5) C27 0.042(8) 0.030(7) 0.019(7) 0.006(6) 0.006(6) -0.002(6) C28 0.016(6) 0.047(7) 0.046(7) -0.001(6) 0.008(5) -0.001(5) C29 0.020(7) 0.056(9) 0.040(9) 0.002(7) 0.000(6) -0.002(6) C30 0.019(7) 0.045(9) 0.056(10) 0.010(7) 0.002(7) -0.011(6) C31 0.035(8) 0.014(7) 0.051(9) 0.002(6) 0.006(7) 0.009(5) C32 0.030(7) 0.031(8) 0.036(8) 0.017(6) -0.018(6) 0.001(6) C33 0.033(9) 0.030(8) 0.055(10) -0.015(7) -0.014(7) 0.009(7) C34 0.040(9) 0.027(8) 0.050(9) -0.001(7) -0.005(7) -0.003(6) C35 0.050(9) 0.021(7) 0.045(9) 0.004(6) 0.006(7) 0.003(6) C36 0.031(8) 0.026(7) 0.039(8) -0.001(6) 0.009(6) -0.014(6) C37 0.032(8) 0.062(10) 0.036(9) 0.012(8) 0.008(7) 0.009(7) C38 0.093(16) 0.13(2) 0.058(14) 0.053(14) -0.027(12) -0.085(15) C39 0.034(8) 0.051(9) 0.036(8) 0.011(7) -0.003(6) 0.019(7) C40 0.032(8) 0.049(9) 0.041(9) -0.017(7) 0.004(6) -0.008(7) C41 0.034(7) 0.019(7) 0.030(8) 0.009(6) 0.017(6) -0.001(5) C42 0.024(7) 0.031(8) 0.042(8) 0.004(6) 0.014(6) 0.008(6) C43 0.030(9) 0.051(10) 0.090(15) 0.001(10) -0.015(10) 0.019(8) C44 0.031(8) 0.025(7) 0.037(8) 0.001(6) -0.011(6) 0.001(6) C45 0.029(8) 0.038(8) 0.030(8) -0.007(6) -0.007(6) 0.000(6) C46 0.030(8) 0.041(8) 0.044(9) 0.027(7) -0.003(7) 0.011(6) C47 0.018(7) 0.047(9) 0.035(8) -0.006(6) -0.006(6) 0.004(6) C48 0.022(7) 0.009(6) 0.043(9) 0.000(6) -0.005(6) 0.004(5) C49 0.056(9) 0.023(7) 0.033(8) -0.010(6) -0.036(7) 0.017(6) C50 0.030(8) 0.044(9) 0.055(10) 0.023(7) 0.004(7) -0.006(6) C51 0.020(6) 0.030(6) 0.031(6) -0.003(5) -0.005(5) 0.018(5) C52 0.014(6) 0.037(8) 0.034(8) 0.005(6) 0.004(6) 0.010(5) C53 0.046(9) 0.029(8) 0.033(8) 0.011(6) 0.017(7) 0.011(7) C54 0.051(9) 0.024(8) 0.063(10) 0.020(7) 0.022(8) 0.003(7) C55 0.023(7) 0.027(8) 0.082(11) -0.023(7) -0.011(7) 0.007(6) C56 0.022(7) 0.032(8) 0.066(10) -0.018(7) -0.017(7) 0.005(6) C57 0.024(8) 0.039(9) 0.073(11) -0.033(8) -0.009(7) 0.005(6) C58 0.071(14) 0.054(11) 0.057(12) -0.043(9) -0.025(10) 0.032(9) C59 0.049(9) 0.044(9) 0.039(9) 0.009(7) -0.018(7) -0.003(7) C60 0.030(8) 0.039(8) 0.051(9) -0.005(7) 0.006(7) 0.015(6) O25 0.063(8) 0.072(9) 0.116(11) 0.022(8) -0.014(7) -0.006(6) O26 0.041(6) 0.050(6) 0.061(7) 0.012(5) 0.023(5) 0.017(5) La1 0.0337(5) 0.0218(4) 0.0377(5) 0.0029(3) 0.0020(4) 0.0019(3) La2 0.0800(7) 0.0800(7) 0.0836(12) 0.0024(7) -0.0024(7) 0.0039(9) O27 0.075(9) 0.048(6) 0.047(7) 0.011(5) -0.023(6) -0.012(6) O28 0.060(9) 0.072(9) 0.184(16) 0.053(10) -0.055(10) -0.028(7) C61 0.034(11) 0.124(18) 0.086(16) 0.057(14) 0.008(11) -0.003(12) C62 0.14(2) 0.067(14) 0.14(2) 0.007(14) -0.070(18) -0.028(14) O29 0.034(5) 0.042(6) 0.043(6) -0.001(5) -0.013(4) -0.001(4) O30 0.026(5) 0.033(5) 0.039(5) 0.001(4) -0.012(4) 0.008(4) O31 0.096(10) 0.063(8) 0.101(10) 0.009(7) 0.039(8) 0.033(7) O32 0.238(17) 0.029(7) 0.081(9) 0.004(6) -0.092(11) -0.008(8) O33 0.087(10) 0.127(12) 0.090(10) -0.033(9) -0.005(8) 0.025(8) O34 0.101(11) 0.121(12) 0.104(11) -0.031(9) 0.021(9) -0.005(9) O35 0.091(11) 0.176(16) 0.102(12) 0.021(11) 0.009(9) 0.069(11) _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 Ag1 S10 2.463(3) . ? Ag1 S3 2.480(4) . ? Ag1 S1 2.482(3) . ? Ag1 Ag4 3.3689(15) . ? Ag2 S5 2.492(4) . ? Ag2 S2 2.511(3) . ? Ag2 S3 2.543(3) . ? Ag2 Cl1 2.820(3) . ? Ag3 S2 2.478(3) . ? Ag3 S6 2.484(3) . ? Ag3 S7 2.505(3) . ? Ag4 S9 2.533(3) . ? Ag4 S1 2.547(3) . ? Ag4 S7 2.547(3) . ? Ag4 Cl1 2.811(3) . ? Ag5 S4 2.505(3) . ? Ag5 S11 2.521(3) . ? Ag5 S10 2.547(3) . ? Ag5 Cl1 2.843(3) . ? Ag6 S4 2.517(4) . ? Ag6 S12 2.534(4) . ? Ag6 S5 2.552(4) . ? Ag6 O25 2.596(12) . ? Ag7 S8 2.505(3) . ? Ag7 S12 2.526(3) . ? Ag7 S6 2.534(3) . ? Ag7 Cl1 2.825(3) . ? Ag8 O26 2.523(9) . ? Ag8 S11 2.529(3) . ? Ag8 S8 2.538(3) . ? Ag8 S9 2.539(3) . ? Pd1 N1 2.053(10) . ? Pd1 N2 2.087(9) . ? Pd1 S1 2.276(3) . ? Pd1 S2 2.276(3) . ? Pd2 N3 2.036(12) . ? Pd2 N4 2.053(10) . ? Pd2 S3 2.258(3) . ? Pd2 S4 2.269(4) . ? Pd3 N5 2.043(9) . ? Pd3 N6 2.083(9) . ? Pd3 S6 2.271(3) . ? Pd3 S5 2.281(3) . ? Pd4 N7 2.060(9) . ? Pd4 N8 2.060(12) . ? Pd4 S7 2.269(4) . ? Pd4 S8 2.272(3) . ? Pd5 N10 2.017(9) . ? Pd5 N9 2.042(11) . ? Pd5 S10 2.275(3) . ? Pd5 S9 2.281(3) . ? Pd6 N12 2.046(11) . ? Pd6 N11 2.094(9) . ? Pd6 S11 2.273(3) . ? Pd6 S12 2.282(3) . ? S1 C1 1.835(13) . ? S2 C6 1.844(12) . ? S3 C11 1.815(13) . ? S4 C16 1.854(13) . ? S5 C21 1.848(13) . ? S6 C26 1.876(12) . ? S7 C31 1.854(13) . ? S8 C36 1.862(13) . ? S9 C41 1.878(12) . ? S10 C46 1.886(12) . ? S11 C51 1.864(11) . ? S12 C56 1.889(13) . ? O1 C3 1.223(18) . ? O2 C3 1.251(17) . ? O3 C8 1.226(18) . ? O3 La1 2.459(9) 4_645 ? O4 C8 1.292(17) . ? O5 C13 1.17(3) . ? O6 C13 1.30(3) . ? O7 C18 1.16(2) . ? O7 La4 2.92(2) . ? O8 C18 1.35(3) . ? O8 La4 2.720(19) . ? O9 C23 1.26(2) . ? O10 C23 1.232(19) . ? O11 C28 1.277(15) . ? O11 La1 2.510(8) 5_765 ? O12 C28 1.242(15) . ? O13 C33 1.267(16) . ? O14 C33 1.223(15) . ? O15 C38 1.35(3) . ? O16 C38 1.34(3) . ? O16 La2 2.530(13) . ? O17 C43 1.260(18) . ? O18 C43 1.331(19) . ? O19 C48 1.215(13) . ? O20 C48 1.261(14) . ? O20 La1 2.470(8) . ? O21 C53 1.177(15) . ? O22 C53 1.313(15) . ? O23 C58 1.233(18) . ? O24 C58 1.160(19) . ? N1 C2 1.426(16) . ? N1 H1 0.9200 . ? N1 H2 0.9200 . ? N2 C7 1.484(16) . ? N2 H3 0.9200 . ? N2 H4 0.9200 . ? N3 C12 1.50(2) . ? N3 H5 0.9200 . ? N3 H6 0.9200 . ? N4 C17 1.463(18) . ? N4 H7 0.9200 . ? N4 H8 0.9200 . ? N5 C22 1.525(17) . ? N5 H9 0.9200 . ? N5 H10 0.9200 . ? N6 C27 1.481(14) . ? N6 H11 0.9200 . ? N6 H12 0.9200 . ? N7 C32 1.467(16) . ? N7 H13 0.9200 . ? N7 H14 0.9200 . ? N8 C37 1.548(18) . ? N8 H15 0.9200 . ? N8 H16 0.9200 . ? N9 C42 1.496(16) . ? N9 H17 0.9200 . ? N9 H18 0.9200 . ? N10 C47 1.504(15) . ? N10 H19 0.9200 . ? N10 H20 0.9200 . ? N11 C52 1.492(14) . ? N11 H21 0.9200 . ? N11 H22 0.9200 . ? N12 C57 1.568(15) . ? N12 H23 0.9200 . ? N12 H24 0.9200 . ? C1 C4 1.439(18) . ? C1 C5 1.561(18) . ? C1 C2 1.562(18) . ? C2 C3 1.617(19) . ? C2 H25 1.0000 . ? C4 H26 0.9800 . ? C4 H27 0.9800 . ? C4 H28 0.9800 . ? C5 H29 0.9800 . ? C5 H30 0.9800 . ? C5 H31 0.9800 . ? C6 C9 1.510(18) . ? C6 C10 1.560(18) . ? C6 C7 1.573(18) . ? C7 C8 1.548(18) . ? C7 H32 1.0000 . ? C9 H33 0.9800 . ? C9 H34 0.9800 . ? C9 H35 0.9800 . ? C10 H36 0.9800 . ? C10 H37 0.9800 . ? C10 H38 0.9800 . ? C11 C15 1.459(19) . ? C11 C14 1.531(17) . ? C11 C12 1.55(2) . ? C12 C13 1.58(2) . ? C12 H39 1.0000 . ? C14 H40 0.9800 . ? C14 H41 0.9800 . ? C14 H42 0.9800 . ? C15 H43 0.9800 . ? C15 H44 0.9800 . ? C15 H45 0.9800 . ? C16 C19 1.464(19) . ? C16 C17 1.558(18) . ? C16 C20 1.60(2) . ? C17 C18 1.633(16) . ? C17 H46 1.0000 . ? C18 La4 3.090(18) . ? C19 H47 0.9800 . ? C19 H48 0.9800 . ? C19 H49 0.9800 . ? C20 H50 0.9800 . ? C20 H51 0.9800 . ? C20 H52 0.9800 . ? C21 C24 1.471(16) . ? C21 C25 1.497(17) . ? C21 C22 1.551(18) . ? C22 C23 1.49(2) . ? C22 H53 1.0000 . ? C24 H54 0.9800 . ? C24 H55 0.9800 . ? C24 H56 0.9800 . ? C25 H57 0.9800 . ? C25 H58 0.9800 . ? C25 H59 0.9800 . ? C26 C29 1.494(17) . ? C26 C27 1.505(17) . ? C26 C30 1.523(16) . ? C27 C28 1.562(18) . ? C27 H60 1.0000 . ? C29 H61 0.9800 . ? C29 H62 0.9800 . ? C29 H63 0.9800 . ? C30 H64 0.9800 . ? C30 H65 0.9800 . ? C30 H66 0.9800 . ? C31 C35 1.489(17) . ? C31 C34 1.508(17) . ? C31 C32 1.516(17) . ? C32 C33 1.546(18) . ? C32 H67 1.0000 . ? C34 H68 0.9800 . ? C34 H69 0.9800 . ? C34 H70 0.9800 . ? C35 H71 0.9800 . ? C35 H72 0.9800 . ? C35 H73 0.9800 . ? C36 C37 1.514(17) . ? C36 C39 1.521(17) . ? C36 C40 1.543(17) . ? C37 C38 1.57(2) . ? C37 H74 1.0000 . ? C39 H75 0.9800 . ? C39 H76 0.9800 . ? C39 H77 0.9800 . ? C40 H78 0.9800 . ? C40 H79 0.9800 . ? C40 H80 0.9800 . ? C41 C45 1.489(17) . ? C41 C42 1.491(16) . ? C41 C44 1.510(16) . ? C42 C43 1.46(2) . ? C42 H81 1.0000 . ? C44 H82 0.9800 . ? C44 H83 0.9800 . ? C44 H84 0.9800 . ? C45 H85 0.9800 . ? C45 H86 0.9800 . ? C45 H87 0.9800 . ? C46 C50 1.526(18) . ? C46 C49 1.538(18) . ? C46 C47 1.553(17) . ? C47 C48 1.560(17) . ? C47 H88 1.0000 . ? C49 H89 0.9800 . ? C49 H90 0.9800 . ? C49 H91 0.9800 . ? C50 H92 0.9800 . ? C50 H93 0.9800 . ? C50 H94 0.9800 . ? C51 C54 1.494(16) . ? C51 C55 1.541(16) . ? C51 C52 1.539(17) . ? C52 C53 1.557(16) . ? C52 H95 1.0000 . ? C54 H96 0.9800 . ? C54 H97 0.9800 . ? C54 H98 0.9800 . ? C55 H99 0.9800 . ? C55 H100 0.9800 . ? C55 H101 0.9800 . ? C56 C57 1.460(17) . ? C56 C59 1.477(19) . ? C56 C60 1.521(17) . ? C57 C58 1.51(2) . ? C57 H102 1.0000 . ? C59 H103 0.9800 . ? C59 H104 0.9800 . ? C59 H105 0.9800 . ? C60 H106 0.9800 . ? C60 H107 0.9800 . ? C60 H108 0.9800 . ? La1 O3 2.459(9) 4_655 ? La1 O11 2.510(8) 5_675 ? La1 O32 2.543(10) . ? La1 O28 2.542(12) . ? La1 O29 2.550(8) . ? La1 O31 2.587(11) . ? La1 O30 2.654(8) . ? La1 O27 2.680(10) . ? La1 C61 3.01(2) . ? La2 O16 2.530(13) 6_556 ? La2 O36 2.585(5) . ? La2 O33 2.585(14) 6_556 ? La2 O33 2.585(14) . ? La2 O34 2.640(15) 6_556 ? La2 O34 2.640(15) . ? La2 O35 2.651(12) 6_556 ? La2 O35 2.651(13) . ? La3 O59 2.72(3) . ? La3 O59 2.72(3) 5_775 ? La4 La4 2.968(19) 5_775 ? La4 O49 3.01(2) 8_655 ? La5 O68 2.51(3) . ? La5 O51 2.70(2) 8_655 ? La5 O49 2.71(2) 8_655 ? La5 O64 2.82(3) 8_655 ? O27 C61 1.159(18) . ? O28 C61 1.40(2) . ? C61 C62 1.62(3) . ? C62 H109 0.9800 . ? C62 H110 0.9800 . ? C62 H111 0.9800 . ? O49 La5 2.71(2) 7_464 ? O49 La4 3.01(2) 7_464 ? O51 La5 2.70(2) 7_464 ? O64 La5 2.82(3) 7_464 ? 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 S10 Ag1 S3 119.48(11) . . ? S10 Ag1 S1 123.58(11) . . ? S3 Ag1 S1 114.81(11) . . ? S10 Ag1 Ag4 86.20(8) . . ? S3 Ag1 Ag4 125.68(9) . . ? S1 Ag1 Ag4 48.76(8) . . ? S5 Ag2 S2 124.11(11) . . ? S5 Ag2 S3 116.75(12) . . ? S2 Ag2 S3 118.35(11) . . ? S5 Ag2 Cl1 93.69(10) . . ? S2 Ag2 Cl1 95.57(10) . . ? S3 Ag2 Cl1 89.33(10) . . ? S2 Ag3 S6 122.97(11) . . ? S2 Ag3 S7 114.22(11) . . ? S6 Ag3 S7 119.70(11) . . ? S9 Ag4 S1 125.58(10) . . ? S9 Ag4 S7 116.91(11) . . ? S1 Ag4 S7 116.54(11) . . ? S9 Ag4 Cl1 94.77(9) . . ? S1 Ag4 Cl1 95.00(10) . . ? S7 Ag4 Cl1 89.63(10) . . ? S9 Ag4 Ag1 93.84(7) . . ? S1 Ag4 Ag1 47.12(7) . . ? S7 Ag4 Ag1 140.21(8) . . ? Cl1 Ag4 Ag1 61.67(7) . . ? S4 Ag5 S11 122.99(11) . . ? S4 Ag5 S10 123.78(12) . . ? S11 Ag5 S10 111.53(11) . . ? S4 Ag5 Cl1 96.11(10) . . ? S11 Ag5 Cl1 94.09(9) . . ? S10 Ag5 Cl1 92.53(9) . . ? S4 Ag6 S12 117.75(11) . . ? S4 Ag6 S5 111.60(12) . . ? S12 Ag6 S5 112.95(11) . . ? S4 Ag6 O25 99.9(3) . . ? S12 Ag6 O25 109.3(3) . . ? S5 Ag6 O25 103.5(3) . . ? S8 Ag7 S12 116.04(10) . . ? S8 Ag7 S6 126.63(10) . . ? S12 Ag7 S6 116.10(10) . . ? S8 Ag7 Cl1 93.09(10) . . ? S12 Ag7 Cl1 91.76(10) . . ? S6 Ag7 Cl1 95.96(10) . . ? O26 Ag8 S11 104.9(2) . . ? O26 Ag8 S8 105.6(2) . . ? S11 Ag8 S8 114.54(10) . . ? O26 Ag8 S9 113.4(2) . . ? S11 Ag8 S9 111.15(10) . . ? S8 Ag8 S9 107.24(10) . . ? N1 Pd1 N2 92.3(4) . . ? N1 Pd1 S1 84.4(3) . . ? N2 Pd1 S1 174.7(3) . . ? N1 Pd1 S2 175.1(3) . . ? N2 Pd1 S2 85.1(3) . . ? S1 Pd1 S2 98.52(12) . . ? N3 Pd2 N4 91.9(5) . . ? N3 Pd2 S3 85.9(3) . . ? N4 Pd2 S3 174.5(3) . . ? N3 Pd2 S4 171.9(4) . . ? N4 Pd2 S4 86.5(3) . . ? S3 Pd2 S4 96.39(13) . . ? N5 Pd3 N6 92.9(4) . . ? N5 Pd3 S6 175.6(3) . . ? N6 Pd3 S6 84.6(3) . . ? N5 Pd3 S5 86.6(3) . . ? N6 Pd3 S5 176.8(3) . . ? S6 Pd3 S5 96.11(12) . . ? N7 Pd4 N8 91.9(4) . . ? N7 Pd4 S7 86.7(3) . . ? N8 Pd4 S7 177.6(3) . . ? N7 Pd4 S8 173.8(3) . . ? N8 Pd4 S8 86.1(3) . . ? S7 Pd4 S8 95.45(12) . . ? N10 Pd5 N9 93.3(4) . . ? N10 Pd5 S10 85.3(3) . . ? N9 Pd5 S10 176.0(3) . . ? N10 Pd5 S9 175.1(3) . . ? N9 Pd5 S9 85.8(3) . . ? S10 Pd5 S9 95.95(11) . . ? N12 Pd6 N11 92.5(4) . . ? N12 Pd6 S11 176.6(4) . . ? N11 Pd6 S11 85.4(3) . . ? N12 Pd6 S12 85.2(3) . . ? N11 Pd6 S12 177.7(3) . . ? S11 Pd6 S12 96.85(11) . . ? Ag4 Cl1 Ag2 109.80(10) . . ? Ag4 Cl1 Ag7 109.30(10) . . ? Ag2 Cl1 Ag7 108.30(10) . . ? Ag4 Cl1 Ag5 109.54(10) . . ? Ag2 Cl1 Ag5 109.50(10) . . ? Ag7 Cl1 Ag5 110.40(10) . . ? C1 S1 Pd1 100.0(4) . . ? C1 S1 Ag1 117.0(4) . . ? Pd1 S1 Ag1 126.70(14) . . ? C1 S1 Ag4 113.5(5) . . ? Pd1 S1 Ag4 115.85(13) . . ? Ag1 S1 Ag4 84.12(10) . . ? C6 S2 Pd1 99.8(4) . . ? C6 S2 Ag3 117.4(4) . . ? Pd1 S2 Ag3 120.58(14) . . ? C6 S2 Ag2 113.5(4) . . ? Pd1 S2 Ag2 120.51(13) . . ? Ag3 S2 Ag2 86.24(10) . . ? C11 S3 Pd2 100.6(4) . . ? C11 S3 Ag1 112.0(5) . . ? Pd2 S3 Ag1 120.83(14) . . ? C11 S3 Ag2 110.4(4) . . ? Pd2 S3 Ag2 120.04(15) . . ? Ag1 S3 Ag2 93.35(11) . . ? C16 S4 Pd2 96.8(5) . . ? C16 S4 Ag5 112.5(4) . . ? Pd2 S4 Ag5 114.25(15) . . ? C16 S4 Ag6 116.3(5) . . ? Pd2 S4 Ag6 123.92(15) . . ? Ag5 S4 Ag6 94.06(12) . . ? C21 S5 Pd3 99.6(4) . . ? C21 S5 Ag2 110.7(4) . . ? Pd3 S5 Ag2 118.43(14) . . ? C21 S5 Ag6 110.4(4) . . ? Pd3 S5 Ag6 117.55(15) . . ? Ag2 S5 Ag6 100.39(12) . . ? C26 S6 Pd3 101.7(4) . . ? C26 S6 Ag3 112.1(4) . . ? Pd3 S6 Ag3 120.85(14) . . ? C26 S6 Ag7 117.6(4) . . ? Pd3 S6 Ag7 118.73(13) . . ? Ag3 S6 Ag7 86.62(10) . . ? C31 S7 Pd4 99.0(4) . . ? C31 S7 Ag3 112.7(4) . . ? Pd4 S7 Ag3 125.04(14) . . ? C31 S7 Ag4 112.3(4) . . ? Pd4 S7 Ag4 113.42(13) . . ? Ag3 S7 Ag4 95.08(12) . . ? C36 S8 Pd4 98.5(4) . . ? C36 S8 Ag7 109.2(4) . . ? Pd4 S8 Ag7 116.59(12) . . ? C36 S8 Ag8 110.3(4) . . ? Pd4 S8 Ag8 119.68(13) . . ? Ag7 S8 Ag8 102.44(11) . . ? C41 S9 Pd5 97.8(4) . . ? C41 S9 Ag4 111.8(4) . . ? Pd5 S9 Ag4 114.05(13) . . ? C41 S9 Ag8 111.2(4) . . ? Pd5 S9 Ag8 118.65(12) . . ? Ag4 S9 Ag8 103.57(11) . . ? C46 S10 Pd5 101.3(4) . . ? C46 S10 Ag1 110.9(4) . . ? Pd5 S10 Ag1 119.43(13) . . ? C46 S10 Ag5 115.1(4) . . ? Pd5 S10 Ag5 122.55(14) . . ? Ag1 S10 Ag5 87.92(10) . . ? C51 S11 Pd6 99.2(4) . . ? C51 S11 Ag5 109.0(4) . . ? Pd6 S11 Ag5 114.20(13) . . ? C51 S11 Ag8 113.0(4) . . ? Pd6 S11 Ag8 117.47(13) . . ? Ag5 S11 Ag8 104.02(11) . . ? C56 S12 Pd6 99.2(4) . . ? C56 S12 Ag7 112.1(4) . . ? Pd6 S12 Ag7 121.43(14) . . ? C56 S12 Ag6 108.7(5) . . ? Pd6 S12 Ag6 115.78(14) . . ? Ag7 S12 Ag6 99.74(12) . . ? C8 O3 La1 143.5(9) . 4_645 ? C18 O7 La4 87.2(14) . . ? C18 O8 La4 92.5(13) . . ? C28 O11 La1 134.5(8) . 5_765 ? C38 O16 La2 150.3(15) . . ? C48 O20 La1 140.0(8) . . ? C2 N1 Pd1 115.7(8) . . ? C2 N1 H1 108.4 . . ? Pd1 N1 H1 108.4 . . ? C2 N1 H2 108.4 . . ? Pd1 N1 H2 108.4 . . ? H1 N1 H2 107.4 . . ? C7 N2 Pd1 117.4(7) . . ? C7 N2 H3 108.0 . . ? Pd1 N2 H3 108.0 . . ? C7 N2 H4 108.0 . . ? Pd1 N2 H4 108.0 . . ? H3 N2 H4 107.2 . . ? C12 N3 Pd2 114.2(8) . . ? C12 N3 H5 108.7 . . ? Pd2 N3 H5 108.7 . . ? C12 N3 H6 108.7 . . ? Pd2 N3 H6 108.7 . . ? H5 N3 H6 107.6 . . ? C17 N4 Pd2 114.9(8) . . ? C17 N4 H7 108.5 . . ? Pd2 N4 H7 108.5 . . ? C17 N4 H8 108.5 . . ? Pd2 N4 H8 108.5 . . ? H7 N4 H8 107.5 . . ? C22 N5 Pd3 113.7(8) . . ? C22 N5 H9 108.8 . . ? Pd3 N5 H9 108.8 . . ? C22 N5 H10 108.8 . . ? Pd3 N5 H10 108.8 . . ? H9 N5 H10 107.7 . . ? C27 N6 Pd3 110.8(7) . . ? C27 N6 H11 109.5 . . ? Pd3 N6 H11 109.5 . . ? C27 N6 H12 109.5 . . ? Pd3 N6 H12 109.5 . . ? H11 N6 H12 108.1 . . ? C32 N7 Pd4 113.0(7) . . ? C32 N7 H13 109.0 . . ? Pd4 N7 H13 109.0 . . ? C32 N7 H14 109.0 . . ? Pd4 N7 H14 109.0 . . ? H13 N7 H14 107.8 . . ? C37 N8 Pd4 113.0(8) . . ? C37 N8 H15 109.0 . . ? Pd4 N8 H15 109.0 . . ? C37 N8 H16 109.0 . . ? Pd4 N8 H16 109.0 . . ? H15 N8 H16 107.8 . . ? C42 N9 Pd5 115.1(7) . . ? C42 N9 H17 108.5 . . ? Pd5 N9 H17 108.5 . . ? C42 N9 H18 108.5 . . ? Pd5 N9 H18 108.5 . . ? H17 N9 H18 107.5 . . ? C47 N10 Pd5 115.1(7) . . ? C47 N10 H19 108.5 . . ? Pd5 N10 H19 108.5 . . ? C47 N10 H20 108.5 . . ? Pd5 N10 H20 108.5 . . ? H19 N10 H20 107.5 . . ? C52 N11 Pd6 115.1(7) . . ? C52 N11 H21 108.5 . . ? Pd6 N11 H21 108.5 . . ? C52 N11 H22 108.5 . . ? Pd6 N11 H22 108.5 . . ? H21 N11 H22 107.5 . . ? C57 N12 Pd6 114.3(8) . . ? C57 N12 H23 108.7 . . ? Pd6 N12 H23 108.7 . . ? C57 N12 H24 108.7 . . ? Pd6 N12 H24 108.7 . . ? H23 N12 H24 107.6 . . ? C4 C1 C5 110.7(12) . . ? C4 C1 C2 111.2(11) . . ? C5 C1 C2 109.2(11) . . ? C4 C1 S1 111.6(10) . . ? C5 C1 S1 108.4(9) . . ? C2 C1 S1 105.5(9) . . ? N1 C2 C1 108.6(10) . . ? N1 C2 C3 108.4(11) . . ? C1 C2 C3 110.4(10) . . ? N1 C2 H25 109.8 . . ? C1 C2 H25 109.8 . . ? C3 C2 H25 109.8 . . ? O1 C3 O2 128.6(15) . . ? O1 C3 C2 115.9(13) . . ? O2 C3 C2 115.4(14) . . ? C1 C4 H26 109.5 . . ? C1 C4 H27 109.5 . . ? H26 C4 H27 109.5 . . ? C1 C4 H28 109.5 . . ? H26 C4 H28 109.5 . . ? H27 C4 H28 109.5 . . ? C1 C5 H29 109.5 . . ? C1 C5 H30 109.5 . . ? H29 C5 H30 109.5 . . ? C1 C5 H31 109.5 . . ? H29 C5 H31 109.5 . . ? H30 C5 H31 109.5 . . ? C9 C6 C10 112.0(12) . . ? C9 C6 C7 109.2(11) . . ? C10 C6 C7 112.8(11) . . ? C9 C6 S2 110.9(9) . . ? C10 C6 S2 104.9(9) . . ? C7 C6 S2 107.0(9) . . ? N2 C7 C8 107.2(10) . . ? N2 C7 C6 109.6(10) . . ? C8 C7 C6 114.3(11) . . ? N2 C7 H32 108.5 . . ? C8 C7 H32 108.5 . . ? C6 C7 H32 108.5 . . ? O3 C8 O4 128.6(13) . . ? O3 C8 C7 117.6(12) . . ? O4 C8 C7 113.7(15) . . ? C6 C9 H33 109.5 . . ? C6 C9 H34 109.5 . . ? H33 C9 H34 109.5 . . ? C6 C9 H35 109.5 . . ? H33 C9 H35 109.5 . . ? H34 C9 H35 109.5 . . ? C6 C10 H36 109.5 . . ? C6 C10 H37 109.5 . . ? H36 C10 H37 109.5 . . ? C6 C10 H38 109.5 . . ? H36 C10 H38 109.5 . . ? H37 C10 H38 109.5 . . ? C15 C11 C14 111.5(11) . . ? C15 C11 C12 112.3(13) . . ? C14 C11 C12 109.0(12) . . ? C15 C11 S3 109.7(9) . . ? C14 C11 S3 109.6(9) . . ? C12 C11 S3 104.5(9) . . ? N3 C12 C11 111.0(13) . . ? N3 C12 C13 105.4(16) . . ? C11 C12 C13 111.3(13) . . ? N3 C12 H39 109.7 . . ? C11 C12 H39 109.7 . . ? C13 C12 H39 109.7 . . ? O5 C13 O6 131(2) . . ? O5 C13 C12 121(2) . . ? O6 C13 C12 107(2) . . ? C11 C14 H40 109.5 . . ? C11 C14 H41 109.5 . . ? H40 C14 H41 109.5 . . ? C11 C14 H42 109.5 . . ? H40 C14 H42 109.5 . . ? H41 C14 H42 109.5 . . ? C11 C15 H43 109.5 . . ? C11 C15 H44 109.5 . . ? H43 C15 H44 109.5 . . ? C11 C15 H45 109.5 . . ? H43 C15 H45 109.5 . . ? H44 C15 H45 109.5 . . ? C19 C16 C17 110.9(12) . . ? C19 C16 C20 108.8(12) . . ? C17 C16 C20 113.9(12) . . ? C19 C16 S4 114.8(10) . . ? C17 C16 S4 105.4(9) . . ? C20 C16 S4 102.9(9) . . ? N4 C17 C16 108.6(11) . . ? N4 C17 C18 102.6(13) . . ? C16 C17 C18 113.0(13) . . ? N4 C17 H46 110.8 . . ? C16 C17 H46 110.8 . . ? C18 C17 H46 110.8 . . ? O7 C18 O8 132.2(18) . . ? O7 C18 C17 126(2) . . ? O8 C18 C17 101.6(18) . . ? O7 C18 La4 70.7(12) . . ? O8 C18 La4 61.6(9) . . ? C17 C18 La4 163.0(16) . . ? C16 C19 H47 109.5 . . ? C16 C19 H48 109.5 . . ? H47 C19 H48 109.5 . . ? C16 C19 H49 109.5 . . ? H47 C19 H49 109.5 . . ? H48 C19 H49 109.5 . . ? C16 C20 H50 109.5 . . ? C16 C20 H51 109.5 . . ? H50 C20 H51 109.5 . . ? C16 C20 H52 109.5 . . ? H50 C20 H52 109.5 . . ? H51 C20 H52 109.5 . . ? C24 C21 C25 108.7(11) . . ? C24 C21 C22 109.8(11) . . ? C25 C21 C22 114.4(11) . . ? C24 C21 S5 110.3(8) . . ? C25 C21 S5 109.3(9) . . ? C22 C21 S5 104.2(9) . . ? C23 C22 N5 114.4(13) . . ? C23 C22 C21 115.0(12) . . ? N5 C22 C21 111.4(10) . . ? C23 C22 H53 105.0 . . ? N5 C22 H53 105.0 . . ? C21 C22 H53 105.0 . . ? O10 C23 O9 128.0(17) . . ? O10 C23 C22 116.9(18) . . ? O9 C23 C22 115.0(15) . . ? C21 C24 H54 109.5 . . ? C21 C24 H55 109.5 . . ? H54 C24 H55 109.5 . . ? C21 C24 H56 109.5 . . ? H54 C24 H56 109.5 . . ? H55 C24 H56 109.5 . . ? C21 C25 H57 109.5 . . ? C21 C25 H58 109.5 . . ? H57 C25 H58 109.5 . . ? C21 C25 H59 109.5 . . ? H57 C25 H59 109.5 . . ? H58 C25 H59 109.5 . . ? C29 C26 C27 112.5(10) . . ? C29 C26 C30 112.0(10) . . ? C27 C26 C30 113.4(10) . . ? C29 C26 S6 108.6(9) . . ? C27 C26 S6 103.6(8) . . ? C30 C26 S6 106.1(8) . . ? N6 C27 C26 111.4(10) . . ? N6 C27 C28 108.6(10) . . ? C26 C27 C28 113.2(9) . . ? N6 C27 H60 107.8 . . ? C26 C27 H60 107.8 . . ? C28 C27 H60 107.8 . . ? O12 C28 O11 126.5(13) . . ? O12 C28 C27 117.9(12) . . ? O11 C28 C27 115.5(12) . . ? C26 C29 H61 109.5 . . ? C26 C29 H62 109.5 . . ? H61 C29 H62 109.5 . . ? C26 C29 H63 109.5 . . ? H61 C29 H63 109.5 . . ? H62 C29 H63 109.5 . . ? C26 C30 H64 109.5 . . ? C26 C30 H65 109.5 . . ? H64 C30 H65 109.5 . . ? C26 C30 H66 109.5 . . ? H64 C30 H66 109.5 . . ? H65 C30 H66 109.5 . . ? C35 C31 C34 111.0(12) . . ? C35 C31 C32 114.0(10) . . ? C34 C31 C32 108.3(10) . . ? C35 C31 S7 107.7(9) . . ? C34 C31 S7 109.0(8) . . ? C32 C31 S7 106.7(9) . . ? N7 C32 C31 111.9(10) . . ? N7 C32 C33 113.1(11) . . ? C31 C32 C33 112.4(11) . . ? N7 C32 H67 106.3 . . ? C31 C32 H67 106.3 . . ? C33 C32 H67 106.3 . . ? O14 C33 O13 124.8(13) . . ? O14 C33 C32 118.6(13) . . ? O13 C33 C32 116.6(12) . . ? C31 C34 H68 109.5 . . ? C31 C34 H69 109.5 . . ? H68 C34 H69 109.5 . . ? C31 C34 H70 109.5 . . ? H68 C34 H70 109.5 . . ? H69 C34 H70 109.5 . . ? C31 C35 H71 109.5 . . ? C31 C35 H72 109.5 . . ? H71 C35 H72 109.5 . . ? C31 C35 H73 109.5 . . ? H71 C35 H73 109.5 . . ? H72 C35 H73 109.5 . . ? C37 C36 C39 114.8(11) . . ? C37 C36 C40 111.8(11) . . ? C39 C36 C40 109.9(11) . . ? C37 C36 S8 103.1(9) . . ? C39 C36 S8 108.8(9) . . ? C40 C36 S8 107.9(9) . . ? C36 C37 N8 111.4(10) . . ? C36 C37 C38 112.9(12) . . ? N8 C37 C38 110.8(14) . . ? C36 C37 H74 107.2 . . ? N8 C37 H74 107.2 . . ? C38 C37 H74 107.2 . . ? O16 C38 O15 130.2(19) . . ? O16 C38 C37 115.7(18) . . ? O15 C38 C37 114(2) . . ? C36 C39 H75 109.5 . . ? C36 C39 H76 109.5 . . ? H75 C39 H76 109.5 . . ? C36 C39 H77 109.5 . . ? H75 C39 H77 109.5 . . ? H76 C39 H77 109.5 . . ? C36 C40 H78 109.5 . . ? C36 C40 H79 109.5 . . ? H78 C40 H79 109.5 . . ? C36 C40 H80 109.5 . . ? H78 C40 H80 109.5 . . ? H79 C40 H80 109.5 . . ? C45 C41 C42 114.0(10) . . ? C45 C41 C44 111.5(10) . . ? C42 C41 C44 112.0(11) . . ? C45 C41 S9 104.8(8) . . ? C42 C41 S9 105.6(8) . . ? C44 C41 S9 108.3(8) . . ? C43 C42 C41 113.2(11) . . ? C43 C42 N9 112.5(11) . . ? C41 C42 N9 110.2(10) . . ? C43 C42 H81 106.8 . . ? C41 C42 H81 106.8 . . ? N9 C42 H81 106.8 . . ? O17 C43 O18 120.8(15) . . ? O17 C43 C42 120.0(17) . . ? O18 C43 C42 119.1(14) . . ? C41 C44 H82 109.5 . . ? C41 C44 H83 109.5 . . ? H82 C44 H83 109.5 . . ? C41 C44 H84 109.5 . . ? H82 C44 H84 109.5 . . ? H83 C44 H84 109.5 . . ? C41 C45 H85 109.5 . . ? C41 C45 H86 109.5 . . ? H85 C45 H86 109.5 . . ? C41 C45 H87 109.5 . . ? H85 C45 H87 109.5 . . ? H86 C45 H87 109.5 . . ? C50 C46 C49 113.0(11) . . ? C50 C46 C47 112.6(11) . . ? C49 C46 C47 109.2(10) . . ? C50 C46 S10 107.3(8) . . ? C49 C46 S10 110.9(9) . . ? C47 C46 S10 103.4(8) . . ? N10 C47 C46 109.8(10) . . ? N10 C47 C48 113.2(9) . . ? C46 C47 C48 111.8(10) . . ? N10 C47 H88 107.2 . . ? C46 C47 H88 107.2 . . ? C48 C47 H88 107.2 . . ? O19 C48 O20 125.8(11) . . ? O19 C48 C47 118.9(12) . . ? O20 C48 C47 115.3(10) . . ? C46 C49 H89 109.5 . . ? C46 C49 H90 109.5 . . ? H89 C49 H90 109.5 . . ? C46 C49 H91 109.5 . . ? H89 C49 H91 109.5 . . ? H90 C49 H91 109.5 . . ? C46 C50 H92 109.5 . . ? C46 C50 H93 109.5 . . ? H92 C50 H93 109.5 . . ? C46 C50 H94 109.5 . . ? H92 C50 H94 109.5 . . ? H93 C50 H94 109.5 . . ? C54 C51 C55 106.8(11) . . ? C54 C51 C52 111.1(11) . . ? C55 C51 C52 116.8(10) . . ? C54 C51 S11 111.1(9) . . ? C55 C51 S11 104.2(8) . . ? C52 C51 S11 106.6(7) . . ? N11 C52 C51 108.9(9) . . ? N11 C52 C53 108.4(10) . . ? C51 C52 C53 112.8(9) . . ? N11 C52 H95 108.9 . . ? C51 C52 H95 108.9 . . ? C53 C52 H95 108.9 . . ? O21 C53 O22 126.2(12) . . ? O21 C53 C52 120.4(12) . . ? O22 C53 C52 113.5(12) . . ? C51 C54 H96 109.5 . . ? C51 C54 H97 109.5 . . ? H96 C54 H97 109.5 . . ? C51 C54 H98 109.5 . . ? H96 C54 H98 109.5 . . ? H97 C54 H98 109.5 . . ? C51 C55 H99 109.5 . . ? C51 C55 H100 109.5 . . ? H99 C55 H100 109.5 . . ? C51 C55 H101 109.5 . . ? H99 C55 H101 109.5 . . ? H100 C55 H101 109.5 . . ? C57 C56 C59 115.6(13) . . ? C57 C56 C60 110.7(11) . . ? C59 C56 C60 108.9(11) . . ? C57 C56 S12 105.8(9) . . ? C59 C56 S12 109.2(9) . . ? C60 C56 S12 106.2(9) . . ? C56 C57 C58 113.3(12) . . ? C56 C57 N12 108.4(10) . . ? C58 C57 N12 112.0(12) . . ? C56 C57 H102 107.6 . . ? C58 C57 H102 107.6 . . ? N12 C57 H102 107.6 . . ? O24 C58 O23 120.4(16) . . ? O24 C58 C57 123.1(17) . . ? O23 C58 C57 116.4(16) . . ? C56 C59 H103 109.5 . . ? C56 C59 H104 109.5 . . ? H103 C59 H104 109.5 . . ? C56 C59 H105 109.5 . . ? H103 C59 H105 109.5 . . ? H104 C59 H105 109.5 . . ? C56 C60 H106 109.5 . . ? C56 C60 H107 109.5 . . ? H106 C60 H107 109.5 . . ? C56 C60 H108 109.5 . . ? H106 C60 H108 109.5 . . ? H107 C60 H108 109.5 . . ? O3 La1 O20 139.9(3) 4_655 . ? O3 La1 O11 77.1(3) 4_655 5_675 ? O20 La1 O11 140.3(3) . 5_675 ? O3 La1 O32 84.6(4) 4_655 . ? O20 La1 O32 69.8(3) . . ? O11 La1 O32 143.4(3) 5_675 . ? O3 La1 O28 95.9(5) 4_655 . ? O20 La1 O28 82.3(4) . . ? O11 La1 O28 79.3(3) 5_675 . ? O32 La1 O28 134.6(5) . . ? O3 La1 O29 72.6(3) 4_655 . ? O20 La1 O29 121.1(3) . . ? O11 La1 O29 76.4(3) 5_675 . ? O32 La1 O29 67.9(3) . . ? O28 La1 O29 154.9(3) . . ? O3 La1 O31 70.6(3) 4_655 . ? O20 La1 O31 72.7(3) . . ? O11 La1 O31 127.5(3) 5_675 . ? O32 La1 O31 73.1(5) . . ? O28 La1 O31 64.6(5) . . ? O29 La1 O31 127.9(4) . . ? O3 La1 O30 139.5(3) 4_655 . ? O20 La1 O30 72.9(3) . . ? O11 La1 O30 83.8(3) 5_675 . ? O32 La1 O30 90.4(4) . . ? O28 La1 O30 115.3(5) . . ? O29 La1 O30 68.4(3) . . ? O31 La1 O30 145.2(3) . . ? O3 La1 O27 134.8(3) 4_655 . ? O20 La1 O27 72.4(3) . . ? O11 La1 O27 68.8(3) 5_675 . ? O32 La1 O27 139.8(4) . . ? O28 La1 O27 50.1(5) . . ? O29 La1 O27 123.9(3) . . ? O31 La1 O27 108.2(4) . . ? O30 La1 O27 65.5(3) . . ? O3 La1 C61 119.4(4) 4_655 . ? O20 La1 C61 74.2(4) . . ? O11 La1 C61 73.3(4) 5_675 . ? O32 La1 C61 142.8(4) . . ? O28 La1 C61 27.6(4) . . ? O29 La1 C61 143.0(5) . . ? O31 La1 C61 87.9(5) . . ? O30 La1 C61 87.7(4) . . ? O27 La1 C61 22.5(4) . . ? O16 La2 O16 141.3(6) 6_556 . ? O16 La2 O36 70.7(3) 6_556 . ? O16 La2 O36 70.7(3) . . ? O16 La2 O33 79.4(5) 6_556 6_556 ? O16 La2 O33 135.4(4) . 6_556 ? O36 La2 O33 142.9(3) . 6_556 ? O16 La2 O33 135.4(4) 6_556 . ? O16 La2 O33 79.4(5) . . ? O36 La2 O33 142.9(3) . . ? O33 La2 O33 74.1(6) 6_556 . ? O16 La2 O34 67.7(5) 6_556 6_556 ? O16 La2 O34 129.6(6) . 6_556 ? O36 La2 O34 112.9(3) . 6_556 ? O33 La2 O34 73.2(4) 6_556 6_556 ? O33 La2 O34 70.6(4) . 6_556 ? O16 La2 O34 129.6(6) 6_556 . ? O16 La2 O34 67.7(5) . . ? O36 La2 O34 112.9(3) . . ? O33 La2 O34 70.6(4) 6_556 . ? O33 La2 O34 73.2(4) . . ? O34 La2 O34 134.2(6) 6_556 . ? O16 La2 O35 99.7(6) 6_556 6_556 ? O16 La2 O35 68.1(5) . 6_556 ? O36 La2 O35 71.9(4) . 6_556 ? O33 La2 O35 136.1(5) 6_556 6_556 ? O33 La2 O35 77.0(5) . 6_556 ? O34 La2 O35 66.2(4) 6_556 6_556 ? O34 La2 O35 130.1(4) . 6_556 ? O16 La2 O35 68.1(5) 6_556 . ? O16 La2 O35 99.7(6) . . ? O36 La2 O35 71.9(4) . . ? O33 La2 O35 77.0(5) 6_556 . ? O33 La2 O35 136.1(5) . . ? O34 La2 O35 130.1(4) 6_556 . ? O34 La2 O35 66.2(4) . . ? O35 La2 O35 143.9(8) 6_556 . ? O59 La3 O59 173.9(14) . 5_775 ? O8 La4 O7 48.0(5) . . ? O8 La4 La4 125.7(4) . 5_775 ? O7 La4 La4 100.1(6) . 5_775 ? O8 La4 O49 60.0(5) . 8_655 ? O7 La4 O49 89.6(6) . 8_655 ? La4 La4 O49 170.1(7) 5_775 8_655 ? O8 La4 C18 25.9(6) . . ? O7 La4 C18 22.1(5) . . ? La4 La4 C18 113.0(6) 5_775 . ? O49 La4 C18 75.6(6) 8_655 . ? O68 La5 O51 88.1(10) . 8_655 ? O68 La5 O49 171.2(11) . 8_655 ? O51 La5 O49 99.8(7) 8_655 8_655 ? O68 La5 O64 96.8(10) . 8_655 ? O51 La5 O64 83.9(8) 8_655 8_655 ? O49 La5 O64 87.9(8) 8_655 8_655 ? C61 O27 La1 95.1(14) . . ? C61 O28 La1 95.2(11) . . ? O27 C61 O28 119(2) . . ? O27 C61 C62 127(2) . . ? O28 C61 C62 113.7(16) . . ? O27 C61 La1 62.4(12) . . ? O28 C61 La1 57.2(10) . . ? C62 C61 La1 170.7(15) . . ? C61 C62 H109 109.5 . . ? C61 C62 H110 109.5 . . ? H109 C62 H110 109.5 . . ? C61 C62 H111 109.5 . . ? H109 C62 H111 109.5 . . ? H110 C62 H111 109.5 . . ? La5 O49 La4 48.1(5) 7_464 7_464 ? 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 S10 Ag1 Ag4 S9 5.50(11) . . . . ? S3 Ag1 Ag4 S9 129.52(13) . . . . ? S1 Ag1 Ag4 S9 -137.18(12) . . . . ? S10 Ag1 Ag4 S1 142.68(12) . . . . ? S3 Ag1 Ag4 S1 -93.29(14) . . . . ? S10 Ag1 Ag4 S7 -136.64(15) . . . . ? S3 Ag1 Ag4 S7 -12.62(18) . . . . ? S1 Ag1 Ag4 S7 80.67(16) . . . . ? S10 Ag1 Ag4 Cl1 -87.85(10) . . . . ? S3 Ag1 Ag4 Cl1 36.17(13) . . . . ? S1 Ag1 Ag4 Cl1 129.47(12) . . . . ? S9 Ag4 Cl1 Ag2 -154.65(11) . . . . ? S1 Ag4 Cl1 Ag2 -28.25(12) . . . . ? S7 Ag4 Cl1 Ag2 88.37(12) . . . . ? Ag1 Ag4 Cl1 Ag2 -62.85(8) . . . . ? S9 Ag4 Cl1 Ag7 86.69(11) . . . . ? S1 Ag4 Cl1 Ag7 -146.91(11) . . . . ? S7 Ag4 Cl1 Ag7 -30.29(12) . . . . ? Ag1 Ag4 Cl1 Ag7 178.49(11) . . . . ? S9 Ag4 Cl1 Ag5 -34.38(12) . . . . ? S1 Ag4 Cl1 Ag5 92.03(11) . . . . ? S7 Ag4 Cl1 Ag5 -151.36(12) . . . . ? Ag1 Ag4 Cl1 Ag5 57.42(8) . . . . ? S5 Ag2 Cl1 Ag4 -154.20(11) . . . . ? S2 Ag2 Cl1 Ag4 -29.38(12) . . . . ? S3 Ag2 Cl1 Ag4 89.04(12) . . . . ? S5 Ag2 Cl1 Ag7 -34.93(12) . . . . ? S2 Ag2 Cl1 Ag7 89.89(11) . . . . ? S3 Ag2 Cl1 Ag7 -151.69(12) . . . . ? S5 Ag2 Cl1 Ag5 85.50(12) . . . . ? S2 Ag2 Cl1 Ag5 -149.68(11) . . . . ? S3 Ag2 Cl1 Ag5 -31.26(12) . . . . ? S8 Ag7 Cl1 Ag4 -30.65(11) . . . . ? S12 Ag7 Cl1 Ag4 -146.84(11) . . . . ? S6 Ag7 Cl1 Ag4 96.68(11) . . . . ? S8 Ag7 Cl1 Ag2 -150.23(10) . . . . ? S12 Ag7 Cl1 Ag2 93.57(11) . . . . ? S6 Ag7 Cl1 Ag2 -22.90(12) . . . . ? S8 Ag7 Cl1 Ag5 89.90(11) . . . . ? S12 Ag7 Cl1 Ag5 -26.30(12) . . . . ? S6 Ag7 Cl1 Ag5 -142.77(11) . . . . ? S4 Ag5 Cl1 Ag4 -147.97(12) . . . . ? S11 Ag5 Cl1 Ag4 88.20(11) . . . . ? S10 Ag5 Cl1 Ag4 -23.61(12) . . . . ? S4 Ag5 Cl1 Ag2 -27.51(13) . . . . ? S11 Ag5 Cl1 Ag2 -151.34(11) . . . . ? S10 Ag5 Cl1 Ag2 96.85(11) . . . . ? S4 Ag5 Cl1 Ag7 91.63(12) . . . . ? S11 Ag5 Cl1 Ag7 -32.20(12) . . . . ? S10 Ag5 Cl1 Ag7 -144.01(11) . . . . ? N1 Pd1 S1 C1 9.5(6) . . . . ? S2 Pd1 S1 C1 -174.5(5) . . . . ? N1 Pd1 S1 Ag1 -125.5(4) . . . . ? S2 Pd1 S1 Ag1 50.54(19) . . . . ? N1 Pd1 S1 Ag4 131.9(4) . . . . ? S2 Pd1 S1 Ag4 -52.12(15) . . . . ? S10 Ag1 S1 C1 66.9(5) . . . . ? S3 Ag1 S1 C1 -129.9(5) . . . . ? Ag4 Ag1 S1 C1 113.4(5) . . . . ? S10 Ag1 S1 Pd1 -164.58(15) . . . . ? S3 Ag1 S1 Pd1 -1.3(2) . . . . ? Ag4 Ag1 S1 Pd1 -118.0(2) . . . . ? S10 Ag1 S1 Ag4 -46.55(14) . . . . ? S3 Ag1 S1 Ag4 116.69(11) . . . . ? S9 Ag4 S1 C1 -60.4(5) . . . . ? S7 Ag4 S1 C1 108.0(4) . . . . ? Cl1 Ag4 S1 C1 -160.0(4) . . . . ? Ag1 Ag4 S1 C1 -116.9(5) . . . . ? S9 Ag4 S1 Pd1 -175.35(12) . . . . ? S7 Ag4 S1 Pd1 -6.95(18) . . . . ? Cl1 Ag4 S1 Pd1 85.14(14) . . . . ? Ag1 Ag4 S1 Pd1 128.15(17) . . . . ? S9 Ag4 S1 Ag1 56.50(14) . . . . ? S7 Ag4 S1 Ag1 -135.10(10) . . . . ? Cl1 Ag4 S1 Ag1 -43.01(9) . . . . ? N2 Pd1 S2 C6 18.0(5) . . . . ? S1 Pd1 S2 C6 -165.9(4) . . . . ? N2 Pd1 S2 Ag3 -112.1(3) . . . . ? S1 Pd1 S2 Ag3 63.99(16) . . . . ? N2 Pd1 S2 Ag2 142.8(3) . . . . ? S1 Pd1 S2 Ag2 -41.06(17) . . . . ? S6 Ag3 S2 C6 68.0(5) . . . . ? S7 Ag3 S2 C6 -132.0(5) . . . . ? S6 Ag3 S2 Pd1 -170.08(13) . . . . ? S7 Ag3 S2 Pd1 -10.11(19) . . . . ? S6 Ag3 S2 Ag2 -46.56(14) . . . . ? S7 Ag3 S2 Ag2 113.41(11) . . . . ? S5 Ag2 S2 C6 -63.4(5) . . . . ? S3 Ag2 S2 C6 106.1(5) . . . . ? Cl1 Ag2 S2 C6 -161.7(5) . . . . ? S5 Ag2 S2 Pd1 178.54(13) . . . . ? S3 Ag2 S2 Pd1 -12.0(2) . . . . ? Cl1 Ag2 S2 Pd1 80.25(16) . . . . ? S5 Ag2 S2 Ag3 54.96(15) . . . . ? S3 Ag2 S2 Ag3 -135.59(11) . . . . ? Cl1 Ag2 S2 Ag3 -43.33(10) . . . . ? N3 Pd2 S3 C11 16.0(6) . . . . ? S4 Pd2 S3 C11 -171.8(5) . . . . ? N3 Pd2 S3 Ag1 -107.7(4) . . . . ? S4 Pd2 S3 Ag1 64.50(18) . . . . ? N3 Pd2 S3 Ag2 137.2(4) . . . . ? S4 Pd2 S3 Ag2 -50.58(17) . . . . ? S10 Ag1 S3 C11 -131.7(5) . . . . ? S1 Ag1 S3 C11 64.4(5) . . . . ? Ag4 Ag1 S3 C11 120.1(5) . . . . ? S10 Ag1 S3 Pd2 -13.5(2) . . . . ? S1 Ag1 S3 Pd2 -177.51(15) . . . . ? Ag4 Ag1 S3 Pd2 -121.72(14) . . . . ? S10 Ag1 S3 Ag2 114.71(12) . . . . ? S1 Ag1 S3 Ag2 -49.27(15) . . . . ? Ag4 Ag1 S3 Ag2 6.52(15) . . . . ? S5 Ag2 S3 C11 112.3(5) . . . . ? S2 Ag2 S3 C11 -57.9(5) . . . . ? Cl1 Ag2 S3 C11 -153.9(5) . . . . ? S5 Ag2 S3 Pd2 -3.9(2) . . . . ? S2 Ag2 S3 Pd2 -174.11(14) . . . . ? Cl1 Ag2 S3 Pd2 89.91(16) . . . . ? S5 Ag2 S3 Ag1 -132.71(12) . . . . ? S2 Ag2 S3 Ag1 57.07(15) . . . . ? Cl1 Ag2 S3 Ag1 -38.91(11) . . . . ? N4 Pd2 S4 C16 18.3(6) . . . . ? S3 Pd2 S4 C16 -166.4(5) . . . . ? N4 Pd2 S4 Ag5 136.8(4) . . . . ? S3 Pd2 S4 Ag5 -47.96(16) . . . . ? N4 Pd2 S4 Ag6 -109.9(4) . . . . ? S3 Pd2 S4 Ag6 65.40(19) . . . . ? S11 Ag5 S4 C16 -68.1(5) . . . . ? S10 Ag5 S4 C16 95.8(5) . . . . ? Cl1 Ag5 S4 C16 -167.0(5) . . . . ? S11 Ag5 S4 Pd2 -177.21(12) . . . . ? S10 Ag5 S4 Pd2 -13.3(2) . . . . ? Cl1 Ag5 S4 Pd2 83.87(14) . . . . ? S11 Ag5 S4 Ag6 52.58(15) . . . . ? S10 Ag5 S4 Ag6 -143.52(11) . . . . ? Cl1 Ag5 S4 Ag6 -46.33(12) . . . . ? S12 Ag6 S4 C16 87.6(5) . . . . ? S5 Ag6 S4 C16 -139.3(5) . . . . ? O25 Ag6 S4 C16 -30.4(6) . . . . ? S12 Ag6 S4 Pd2 -152.89(15) . . . . ? S5 Ag6 S4 Pd2 -19.9(2) . . . . ? O25 Ag6 S4 Pd2 89.0(3) . . . . ? S12 Ag6 S4 Ag5 -29.95(16) . . . . ? S5 Ag6 S4 Ag5 103.07(12) . . . . ? O25 Ag6 S4 Ag5 -148.0(3) . . . . ? N5 Pd3 S5 C21 16.8(5) . . . . ? S6 Pd3 S5 C21 -166.7(4) . . . . ? N5 Pd3 S5 Ag2 136.8(3) . . . . ? S6 Pd3 S5 Ag2 -46.75(16) . . . . ? N5 Pd3 S5 Ag6 -102.3(3) . . . . ? S6 Pd3 S5 Ag6 74.16(16) . . . . ? S2 Ag2 S5 C21 102.9(4) . . . . ? S3 Ag2 S5 C21 -66.7(4) . . . . ? Cl1 Ag2 S5 C21 -157.9(4) . . . . ? S2 Ag2 S5 Pd3 -11.1(2) . . . . ? S3 Ag2 S5 Pd3 179.27(13) . . . . ? Cl1 Ag2 S5 Pd3 88.15(15) . . . . ? S2 Ag2 S5 Ag6 -140.47(12) . . . . ? S3 Ag2 S5 Ag6 49.93(15) . . . . ? Cl1 Ag2 S5 Ag6 -41.19(12) . . . . ? S4 Ag6 S5 C21 78.4(5) . . . . ? S12 Ag6 S5 C21 -146.3(5) . . . . ? O25 Ag6 S5 C21 -28.2(5) . . . . ? S4 Ag6 S5 Pd3 -168.40(14) . . . . ? S12 Ag6 S5 Pd3 -33.04(19) . . . . ? O25 Ag6 S5 Pd3 85.0(3) . . . . ? S4 Ag6 S5 Ag2 -38.49(15) . . . . ? S12 Ag6 S5 Ag2 96.87(13) . . . . ? O25 Ag6 S5 Ag2 -145.1(3) . . . . ? N6 Pd3 S6 C26 3.3(5) . . . . ? S5 Pd3 S6 C26 -179.8(4) . . . . ? N5 Pd3 S6 Ag3 -177(56) . . . . ? N6 Pd3 S6 Ag3 -121.4(3) . . . . ? S5 Pd3 S6 Ag3 55.41(16) . . . . ? N5 Pd3 S6 Ag7 79(4) . . . . ? N6 Pd3 S6 Ag7 134.1(3) . . . . ? S5 Pd3 S6 Ag7 -49.02(16) . . . . ? S2 Ag3 S6 C26 -124.8(4) . . . . ? S7 Ag3 S6 C26 76.3(4) . . . . ? S2 Ag3 S6 Pd3 -5.0(2) . . . . ? S7 Ag3 S6 Pd3 -163.93(13) . . . . ? S2 Ag3 S6 Ag7 116.70(12) . . . . ? S7 Ag3 S6 Ag7 -42.22(14) . . . . ? S8 Ag7 S6 C26 -56.2(4) . . . . ? S12 Ag7 S6 C26 110.5(4) . . . . ? Cl1 Ag7 S6 C26 -154.5(4) . . . . ? S8 Ag7 S6 Pd3 -179.39(13) . . . . ? S12 Ag7 S6 Pd3 -12.64(19) . . . . ? Cl1 Ag7 S6 Pd3 82.27(15) . . . . ? S8 Ag7 S6 Ag3 57.01(15) . . . . ? S12 Ag7 S6 Ag3 -136.25(11) . . . . ? Cl1 Ag7 S6 Ag3 -41.34(10) . . . . ? N7 Pd4 S7 C31 10.1(5) . . . . ? N8 Pd4 S7 C31 -44(8) . . . . ? S8 Pd4 S7 C31 -175.8(4) . . . . ? N7 Pd4 S7 Ag3 -115.9(3) . . . . ? S8 Pd4 S7 Ag3 58.27(17) . . . . ? N7 Pd4 S7 Ag4 129.2(3) . . . . ? S8 Pd4 S7 Ag4 -56.67(14) . . . . ? S2 Ag3 S7 C31 69.1(5) . . . . ? S6 Ag3 S7 C31 -130.2(5) . . . . ? S2 Ag3 S7 Pd4 -170.91(14) . . . . ? S6 Ag3 S7 Pd4 -10.2(2) . . . . ? S2 Ag3 S7 Ag4 -47.56(14) . . . . ? S6 Ag3 S7 Ag4 113.12(12) . . . . ? S9 Ag4 S7 C31 109.0(4) . . . . ? S1 Ag4 S7 C31 -60.5(5) . . . . ? Cl1 Ag4 S7 C31 -155.9(4) . . . . ? Ag1 Ag4 S7 C31 -114.4(4) . . . . ? S9 Ag4 S7 Pd4 -2.18(18) . . . . ? S1 Ag4 S7 Pd4 -171.62(12) . . . . ? Cl1 Ag4 S7 Pd4 92.98(13) . . . . ? Ag1 Ag4 S7 Pd4 134.45(11) . . . . ? S9 Ag4 S7 Ag3 -134.00(11) . . . . ? S1 Ag4 S7 Ag3 56.57(14) . . . . ? Cl1 Ag4 S7 Ag3 -38.84(11) . . . . ? Ag1 Ag4 S7 Ag3 2.63(18) . . . . ? N8 Pd4 S8 C36 22.1(5) . . . . ? S7 Pd4 S8 C36 -159.7(4) . . . . ? N8 Pd4 S8 Ag7 138.6(4) . . . . ? S7 Pd4 S8 Ag7 -43.23(15) . . . . ? N8 Pd4 S8 Ag8 -97.2(4) . . . . ? S7 Pd4 S8 Ag8 81.00(15) . . . . ? S12 Ag7 S8 C36 -70.9(4) . . . . ? S6 Ag7 S8 C36 95.8(4) . . . . ? Cl1 Ag7 S8 C36 -164.4(4) . . . . ? S12 Ag7 S8 Pd4 178.64(13) . . . . ? S6 Ag7 S8 Pd4 -14.6(2) . . . . ? Cl1 Ag7 S8 Pd4 85.17(14) . . . . ? S12 Ag7 S8 Ag8 46.00(15) . . . . ? S6 Ag7 S8 Ag8 -147.24(11) . . . . ? Cl1 Ag7 S8 Ag8 -47.47(11) . . . . ? O26 Ag8 S8 C36 -23.9(5) . . . . ? S11 Ag8 S8 C36 91.0(4) . . . . ? S9 Ag8 S8 C36 -145.1(4) . . . . ? O26 Ag8 S8 Pd4 89.2(3) . . . . ? S11 Ag8 S8 Pd4 -155.85(13) . . . . ? S9 Ag8 S8 Pd4 -32.01(17) . . . . ? O26 Ag8 S8 Ag7 -140.0(3) . . . . ? S11 Ag8 S8 Ag7 -25.06(15) . . . . ? S9 Ag8 S8 Ag7 98.78(12) . . . . ? N9 Pd5 S9 C41 15.6(5) . . . . ? S10 Pd5 S9 C41 -168.0(4) . . . . ? N9 Pd5 S9 Ag4 133.7(3) . . . . ? S10 Pd5 S9 Ag4 -49.84(14) . . . . ? N9 Pd5 S9 Ag8 -103.8(3) . . . . ? S10 Pd5 S9 Ag8 72.62(15) . . . . ? S1 Ag4 S9 C41 98.9(4) . . . . ? S7 Ag4 S9 C41 -69.5(4) . . . . ? Cl1 Ag4 S9 C41 -161.5(4) . . . . ? Ag1 Ag4 S9 C41 136.6(4) . . . . ? S1 Ag4 S9 Pd5 -10.91(19) . . . . ? S7 Ag4 S9 Pd5 -179.27(11) . . . . ? Cl1 Ag4 S9 Pd5 88.71(13) . . . . ? Ag1 Ag4 S9 Pd5 26.86(12) . . . . ? S1 Ag4 S9 Ag8 -141.29(11) . . . . ? S7 Ag4 S9 Ag8 50.35(14) . . . . ? Cl1 Ag4 S9 Ag8 -41.67(11) . . . . ? Ag1 Ag4 S9 Ag8 -103.52(9) . . . . ? O26 Ag8 S9 C41 -28.8(5) . . . . ? S11 Ag8 S9 C41 -146.6(4) . . . . ? S8 Ag8 S9 C41 87.5(4) . . . . ? O26 Ag8 S9 Pd5 83.4(3) . . . . ? S11 Ag8 S9 Pd5 -34.44(17) . . . . ? S8 Ag8 S9 Pd5 -160.34(13) . . . . ? O26 Ag8 S9 Ag4 -149.0(2) . . . . ? S11 Ag8 S9 Ag4 93.12(12) . . . . ? S8 Ag8 S9 Ag4 -32.78(13) . . . . ? N10 Pd5 S10 C46 8.1(5) . . . . ? S9 Pd5 S10 C46 -176.7(5) . . . . ? N10 Pd5 S10 Ag1 -114.0(3) . . . . ? S9 Pd5 S10 Ag1 61.19(16) . . . . ? N10 Pd5 S10 Ag5 137.9(3) . . . . ? S9 Pd5 S10 Ag5 -46.91(16) . . . . ? S3 Ag1 S10 C46 73.2(5) . . . . ? S1 Ag1 S10 C46 -124.3(5) . . . . ? Ag4 Ag1 S10 C46 -157.4(5) . . . . ? S3 Ag1 S10 Pd5 -169.58(13) . . . . ? S1 Ag1 S10 Pd5 -7.1(2) . . . . ? Ag4 Ag1 S10 Pd5 -40.24(13) . . . . ? S3 Ag1 S10 Ag5 -42.88(14) . . . . ? S1 Ag1 S10 Ag5 119.63(12) . . . . ? Ag4 Ag1 S10 Ag5 86.46(7) . . . . ? S4 Ag5 S10 C46 -54.2(5) . . . . ? S11 Ag5 S10 C46 111.3(5) . . . . ? Cl1 Ag5 S10 C46 -153.3(5) . . . . ? S4 Ag5 S10 Pd5 -177.97(13) . . . . ? S11 Ag5 S10 Pd5 -12.45(18) . . . . ? Cl1 Ag5 S10 Pd5 82.95(15) . . . . ? S4 Ag5 S10 Ag1 57.97(14) . . . . ? S11 Ag5 S10 Ag1 -136.51(10) . . . . ? Cl1 Ag5 S10 Ag1 -41.11(10) . . . . ? N11 Pd6 S11 C51 14.5(5) . . . . ? S12 Pd6 S11 C51 -166.1(4) . . . . ? N11 Pd6 S11 Ag5 130.2(3) . . . . ? S12 Pd6 S11 Ag5 -50.31(15) . . . . ? N11 Pd6 S11 Ag8 -107.5(3) . . . . ? S12 Pd6 S11 Ag8 71.90(15) . . . . ? S4 Ag5 S11 C51 96.8(4) . . . . ? S10 Ag5 S11 C51 -68.9(4) . . . . ? Cl1 Ag5 S11 C51 -163.2(4) . . . . ? S4 Ag5 S11 Pd6 -13.08(18) . . . . ? S10 Ag5 S11 Pd6 -178.73(12) . . . . ? Cl1 Ag5 S11 Pd6 86.92(13) . . . . ? S4 Ag5 S11 Ag8 -142.39(11) . . . . ? S10 Ag5 S11 Ag8 51.96(13) . . . . ? Cl1 Ag5 S11 Ag8 -42.39(11) . . . . ? O26 Ag8 S11 C51 -36.3(5) . . . . ? S8 Ag8 S11 C51 -151.7(4) . . . . ? S9 Ag8 S11 C51 86.6(4) . . . . ? O26 Ag8 S11 Pd6 78.2(3) . . . . ? S8 Ag8 S11 Pd6 -37.11(17) . . . . ? S9 Ag8 S11 Pd6 -158.84(12) . . . . ? O26 Ag8 S11 Ag5 -154.5(2) . . . . ? S8 Ag8 S11 Ag5 90.20(13) . . . . ? S9 Ag8 S11 Ag5 -31.53(14) . . . . ? N12 Pd6 S12 C56 12.3(6) . . . . ? S11 Pd6 S12 C56 -170.3(5) . . . . ? N12 Pd6 S12 Ag7 135.3(4) . . . . ? S11 Pd6 S12 Ag7 -47.31(18) . . . . ? N12 Pd6 S12 Ag6 -103.6(4) . . . . ? S11 Pd6 S12 Ag6 73.71(15) . . . . ? S8 Ag7 S12 C56 106.4(5) . . . . ? S6 Ag7 S12 C56 -61.8(5) . . . . ? Cl1 Ag7 S12 C56 -159.3(5) . . . . ? S8 Ag7 S12 Pd6 -10.4(2) . . . . ? S6 Ag7 S12 Pd6 -178.55(14) . . . . ? Cl1 Ag7 S12 Pd6 83.94(17) . . . . ? S8 Ag7 S12 Ag6 -138.82(11) . . . . ? S6 Ag7 S12 Ag6 52.99(14) . . . . ? Cl1 Ag7 S12 Ag6 -44.52(11) . . . . ? S4 Ag6 S12 C56 -141.7(4) . . . . ? S5 Ag6 S12 C56 85.9(4) . . . . ? O25 Ag6 S12 C56 -28.7(5) . . . . ? S4 Ag6 S12 Pd6 -31.17(19) . . . . ? S5 Ag6 S12 Pd6 -163.59(13) . . . . ? O25 Ag6 S12 Pd6 81.8(3) . . . . ? S4 Ag6 S12 Ag7 100.94(13) . . . . ? S5 Ag6 S12 Ag7 -31.48(15) . . . . ? O25 Ag6 S12 Ag7 -146.1(3) . . . . ? N2 Pd1 N1 C2 -163.5(10) . . . . ? S1 Pd1 N1 C2 20.7(9) . . . . ? N1 Pd1 N2 C7 -176.8(9) . . . . ? S2 Pd1 N2 C7 7.3(8) . . . . ? N4 Pd2 N3 C12 -173.8(12) . . . . ? S3 Pd2 N3 C12 11.3(11) . . . . ? N3 Pd2 N4 C17 -177.5(11) . . . . ? S4 Pd2 N4 C17 10.5(10) . . . . ? N6 Pd3 N5 C22 -173.0(9) . . . . ? S5 Pd3 N5 C22 10.2(9) . . . . ? N5 Pd3 N6 C27 -157.9(8) . . . . ? S6 Pd3 N6 C27 25.7(7) . . . . ? N8 Pd4 N7 C32 -165.4(8) . . . . ? S7 Pd4 N7 C32 16.6(7) . . . . ? N7 Pd4 N8 C37 178.8(9) . . . . ? S8 Pd4 N8 C37 4.7(8) . . . . ? N10 Pd5 N9 C42 -173.5(9) . . . . ? S9 Pd5 N9 C42 11.3(8) . . . . ? N9 Pd5 N10 C47 -162.8(8) . . . . ? S10 Pd5 N10 C47 20.9(8) . . . . ? N12 Pd6 N11 C52 -169.4(9) . . . . ? S11 Pd6 N11 C52 13.2(8) . . . . ? N11 Pd6 N12 C57 -165.3(10) . . . . ? S12 Pd6 N12 C57 15.4(9) . . . . ? Pd1 S1 C1 C4 85.8(9) . . . . ? Ag1 S1 C1 C4 -133.7(8) . . . . ? Ag4 S1 C1 C4 -38.2(10) . . . . ? Pd1 S1 C1 C5 -152.0(9) . . . . ? Ag1 S1 C1 C5 -11.5(11) . . . . ? Ag4 S1 C1 C5 84.0(10) . . . . ? Pd1 S1 C1 C2 -35.2(9) . . . . ? Ag1 S1 C1 C2 105.3(8) . . . . ? Ag4 S1 C1 C2 -159.2(7) . . . . ? Pd1 N1 C2 C1 -49.7(12) . . . . ? Pd1 N1 C2 C3 -169.6(8) . . . . ? C4 C1 C2 N1 -66.5(13) . . . . ? C5 C1 C2 N1 171.1(11) . . . . ? S1 C1 C2 N1 54.7(11) . . . . ? C4 C1 C2 C3 52.2(15) . . . . ? C5 C1 C2 C3 -70.2(14) . . . . ? S1 C1 C2 C3 173.4(10) . . . . ? N1 C2 C3 O1 23.3(17) . . . . ? C1 C2 C3 O1 -95.5(14) . . . . ? N1 C2 C3 O2 -155.6(12) . . . . ? C1 C2 C3 O2 85.6(14) . . . . ? Pd1 S2 C6 C9 78.4(10) . . . . ? Ag3 S2 C6 C9 -149.5(8) . . . . ? Ag2 S2 C6 C9 -51.2(10) . . . . ? Pd1 S2 C6 C10 -160.5(9) . . . . ? Ag3 S2 C6 C10 -28.4(11) . . . . ? Ag2 S2 C6 C10 69.9(10) . . . . ? Pd1 S2 C6 C7 -40.6(9) . . . . ? Ag3 S2 C6 C7 91.6(8) . . . . ? Ag2 S2 C6 C7 -170.1(7) . . . . ? Pd1 N2 C7 C8 -160.4(8) . . . . ? Pd1 N2 C7 C6 -35.9(13) . . . . ? C9 C6 C7 N2 -69.9(13) . . . . ? C10 C6 C7 N2 165.0(10) . . . . ? S2 C6 C7 N2 50.2(12) . . . . ? C9 C6 C7 C8 50.5(15) . . . . ? C10 C6 C7 C8 -74.7(15) . . . . ? S2 C6 C7 C8 170.5(10) . . . . ? La1 O3 C8 O4 -19(3) 4_645 . . . ? La1 O3 C8 C7 156.8(10) 4_645 . . . ? N2 C7 C8 O3 14.1(16) . . . . ? C6 C7 C8 O3 -107.6(14) . . . . ? N2 C7 C8 O4 -169.2(12) . . . . ? C6 C7 C8 O4 69.1(16) . . . . ? Pd2 S3 C11 C15 -160.4(9) . . . . ? Ag1 S3 C11 C15 -30.7(11) . . . . ? Ag2 S3 C11 C15 71.8(10) . . . . ? Pd2 S3 C11 C14 76.9(8) . . . . ? Ag1 S3 C11 C14 -153.5(7) . . . . ? Ag2 S3 C11 C14 -50.9(9) . . . . ? Pd2 S3 C11 C12 -39.8(11) . . . . ? Ag1 S3 C11 C12 89.8(10) . . . . ? Ag2 S3 C11 C12 -167.6(9) . . . . ? Pd2 N3 C12 C11 -41.8(16) . . . . ? Pd2 N3 C12 C13 -162.4(11) . . . . ? C15 C11 C12 N3 172.4(12) . . . . ? C14 C11 C12 N3 -63.5(15) . . . . ? S3 C11 C12 N3 53.6(14) . . . . ? C15 C11 C12 C13 -70(2) . . . . ? C14 C11 C12 C13 54(2) . . . . ? S3 C11 C12 C13 170.7(15) . . . . ? N3 C12 C13 O5 26(2) . . . . ? C11 C12 C13 O5 -94(2) . . . . ? N3 C12 C13 O6 -152.7(16) . . . . ? C11 C12 C13 O6 86.8(19) . . . . ? Pd2 S4 C16 C19 78.6(11) . . . . ? Ag5 S4 C16 C19 -41.2(12) . . . . ? Ag6 S4 C16 C19 -148.1(10) . . . . ? Pd2 S4 C16 C17 -43.8(10) . . . . ? Ag5 S4 C16 C17 -163.7(8) . . . . ? Ag6 S4 C16 C17 89.5(10) . . . . ? Pd2 S4 C16 C20 -163.4(8) . . . . ? Ag5 S4 C16 C20 76.7(9) . . . . ? Ag6 S4 C16 C20 -30.1(10) . . . . ? Pd2 N4 C17 C16 -42.6(14) . . . . ? Pd2 N4 C17 C18 -162.5(10) . . . . ? C19 C16 C17 N4 -67.2(15) . . . . ? C20 C16 C17 N4 169.7(12) . . . . ? S4 C16 C17 N4 57.7(13) . . . . ? C19 C16 C17 C18 46.0(19) . . . . ? C20 C16 C17 C18 -77.1(18) . . . . ? S4 C16 C17 C18 170.8(13) . . . . ? La4 O7 C18 O8 3(3) . . . . ? La4 O7 C18 C17 176.0(19) . . . . ? La4 O8 C18 O7 -3(3) . . . . ? La4 O8 C18 C17 -177.5(11) . . . . ? N4 C17 C18 O7 25(3) . . . . ? C16 C17 C18 O7 -91(3) . . . . ? N4 C17 C18 O8 -160.0(13) . . . . ? C16 C17 C18 O8 83.2(18) . . . . ? N4 C17 C18 La4 -168(4) . . . . ? C16 C17 C18 La4 76(5) . . . . ? Pd3 S5 C21 C24 77.0(9) . . . . ? Ag2 S5 C21 C24 -48.4(10) . . . . ? Ag6 S5 C21 C24 -158.7(8) . . . . ? Pd3 S5 C21 C25 -163.4(9) . . . . ? Ag2 S5 C21 C25 71.1(10) . . . . ? Ag6 S5 C21 C25 -39.1(10) . . . . ? Pd3 S5 C21 C22 -40.8(8) . . . . ? Ag2 S5 C21 C22 -166.2(7) . . . . ? Ag6 S5 C21 C22 83.5(8) . . . . ? Pd3 N5 C22 C23 -174.1(10) . . . . ? Pd3 N5 C22 C21 -41.6(13) . . . . ? C24 C21 C22 C23 68.4(16) . . . . ? C25 C21 C22 C23 -54.1(17) . . . . ? S5 C21 C22 C23 -173.4(12) . . . . ? C24 C21 C22 N5 -63.7(14) . . . . ? C25 C21 C22 N5 173.7(11) . . . . ? S5 C21 C22 N5 54.5(12) . . . . ? N5 C22 C23 O10 -154.9(15) . . . . ? C21 C22 C23 O10 74.4(19) . . . . ? N5 C22 C23 O9 27(2) . . . . ? C21 C22 C23 O9 -104.1(17) . . . . ? Pd3 S6 C26 C29 89.2(8) . . . . ? Ag3 S6 C26 C29 -140.3(7) . . . . ? Ag7 S6 C26 C29 -42.3(9) . . . . ? Pd3 S6 C26 C27 -30.6(8) . . . . ? Ag3 S6 C26 C27 99.9(7) . . . . ? Ag7 S6 C26 C27 -162.1(6) . . . . ? Pd3 S6 C26 C30 -150.3(8) . . . . ? Ag3 S6 C26 C30 -19.8(9) . . . . ? Ag7 S6 C26 C30 78.3(9) . . . . ? Pd3 N6 C27 C26 -56.3(11) . . . . ? Pd3 N6 C27 C28 178.4(7) . . . . ? C29 C26 C27 N6 -61.2(13) . . . . ? C30 C26 C27 N6 170.5(10) . . . . ? S6 C26 C27 N6 55.9(11) . . . . ? C29 C26 C27 C28 61.5(14) . . . . ? C30 C26 C27 C28 -66.8(14) . . . . ? S6 C26 C27 C28 178.6(9) . . . . ? La1 O11 C28 O12 80.8(17) 5_765 . . . ? La1 O11 C28 C27 -102.7(12) 5_765 . . . ? N6 C27 C28 O12 -168.2(11) . . . . ? C26 C27 C28 O12 67.6(15) . . . . ? N6 C27 C28 O11 15.0(14) . . . . ? C26 C27 C28 O11 -109.3(12) . . . . ? Pd4 S7 C31 C35 -157.4(8) . . . . ? Ag3 S7 C31 C35 -23.3(10) . . . . ? Ag4 S7 C31 C35 82.7(9) . . . . ? Pd4 S7 C31 C34 82.1(9) . . . . ? Ag3 S7 C31 C34 -143.8(8) . . . . ? Ag4 S7 C31 C34 -37.8(10) . . . . ? Pd4 S7 C31 C32 -34.6(8) . . . . ? Ag3 S7 C31 C32 99.5(8) . . . . ? Ag4 S7 C31 C32 -154.6(7) . . . . ? Pd4 N7 C32 C31 -45.6(12) . . . . ? Pd4 N7 C32 C33 -173.8(8) . . . . ? C35 C31 C32 N7 171.9(10) . . . . ? C34 C31 C32 N7 -64.0(13) . . . . ? S7 C31 C32 N7 53.2(11) . . . . ? C35 C31 C32 C33 -59.6(15) . . . . ? C34 C31 C32 C33 64.5(14) . . . . ? S7 C31 C32 C33 -178.3(9) . . . . ? N7 C32 C33 O14 -158.1(12) . . . . ? C31 C32 C33 O14 73.9(15) . . . . ? N7 C32 C33 O13 22.9(16) . . . . ? C31 C32 C33 O13 -105.1(14) . . . . ? Pd4 S8 C36 C37 -46.6(8) . . . . ? Ag7 S8 C36 C37 -168.7(7) . . . . ? Ag8 S8 C36 C37 79.5(8) . . . . ? Pd4 S8 C36 C39 75.7(8) . . . . ? Ag7 S8 C36 C39 -46.4(9) . . . . ? Ag8 S8 C36 C39 -158.2(7) . . . . ? Pd4 S8 C36 C40 -165.1(8) . . . . ? Ag7 S8 C36 C40 72.8(9) . . . . ? Ag8 S8 C36 C40 -39.0(9) . . . . ? C39 C36 C37 N8 -61.3(15) . . . . ? C40 C36 C37 N8 172.6(11) . . . . ? S8 C36 C37 N8 56.9(12) . . . . ? C39 C36 C37 C38 64.1(18) . . . . ? C40 C36 C37 C38 -62.0(18) . . . . ? S8 C36 C37 C38 -177.7(14) . . . . ? Pd4 N8 C37 C36 -39.1(13) . . . . ? Pd4 N8 C37 C38 -165.6(11) . . . . ? La2 O16 C38 O15 36(4) . . . . ? La2 O16 C38 C37 -142.0(18) . . . . ? C36 C37 C38 O16 87.0(18) . . . . ? N8 C37 C38 O16 -147.3(14) . . . . ? C36 C37 C38 O15 -91.0(17) . . . . ? N8 C37 C38 O15 34.8(18) . . . . ? Pd5 S9 C41 C45 -162.0(7) . . . . ? Ag4 S9 C41 C45 78.1(8) . . . . ? Ag8 S9 C41 C45 -37.1(9) . . . . ? Pd5 S9 C41 C42 -41.3(9) . . . . ? Ag4 S9 C41 C42 -161.2(7) . . . . ? Ag8 S9 C41 C42 83.6(9) . . . . ? Pd5 S9 C41 C44 78.9(8) . . . . ? Ag4 S9 C41 C44 -41.0(9) . . . . ? Ag8 S9 C41 C44 -156.2(7) . . . . ? C45 C41 C42 C43 -63.0(17) . . . . ? C44 C41 C42 C43 64.8(15) . . . . ? S9 C41 C42 C43 -177.4(11) . . . . ? C45 C41 C42 N9 170.0(10) . . . . ? C44 C41 C42 N9 -62.2(13) . . . . ? S9 C41 C42 N9 55.6(12) . . . . ? Pd5 N9 C42 C43 -170.7(10) . . . . ? Pd5 N9 C42 C41 -43.4(13) . . . . ? C41 C42 C43 O17 -89.4(16) . . . . ? N9 C42 C43 O17 36.3(18) . . . . ? C41 C42 C43 O18 87.8(17) . . . . ? N9 C42 C43 O18 -146.5(13) . . . . ? Pd5 S10 C46 C50 -152.9(9) . . . . ? Ag1 S10 C46 C50 -25.1(10) . . . . ? Ag5 S10 C46 C50 72.7(10) . . . . ? Pd5 S10 C46 C49 83.3(9) . . . . ? Ag1 S10 C46 C49 -148.9(8) . . . . ? Ag5 S10 C46 C49 -51.1(10) . . . . ? Pd5 S10 C46 C47 -33.7(9) . . . . ? Ag1 S10 C46 C47 94.1(8) . . . . ? Ag5 S10 C46 C47 -168.1(7) . . . . ? Pd5 N10 C47 C46 -50.7(12) . . . . ? Pd5 N10 C47 C48 -176.4(7) . . . . ? C50 C46 C47 N10 168.5(10) . . . . ? C49 C46 C47 N10 -65.1(13) . . . . ? S10 C46 C47 N10 53.0(11) . . . . ? C50 C46 C47 C48 -65.0(14) . . . . ? C49 C46 C47 C48 61.4(13) . . . . ? S10 C46 C47 C48 179.5(9) . . . . ? La1 O20 C48 O19 14(2) . . . . ? La1 O20 C48 C47 -166.9(8) . . . . ? N10 C47 C48 O19 12.8(16) . . . . ? C46 C47 C48 O19 -111.9(12) . . . . ? N10 C47 C48 O20 -166.5(10) . . . . ? C46 C47 C48 O20 68.9(14) . . . . ? Pd6 S11 C51 C54 81.0(9) . . . . ? Ag5 S11 C51 C54 -38.7(10) . . . . ? Ag8 S11 C51 C54 -153.8(8) . . . . ? Pd6 S11 C51 C55 -164.3(8) . . . . ? Ag5 S11 C51 C55 76.0(9) . . . . ? Ag8 S11 C51 C55 -39.2(9) . . . . ? Pd6 S11 C51 C52 -40.2(8) . . . . ? Ag5 S11 C51 C52 -159.9(7) . . . . ? Ag8 S11 C51 C52 85.0(8) . . . . ? Pd6 N11 C52 C51 -43.5(12) . . . . ? Pd6 N11 C52 C53 -166.5(7) . . . . ? C54 C51 C52 N11 -66.4(12) . . . . ? C55 C51 C52 N11 170.7(10) . . . . ? S11 C51 C52 N11 54.7(11) . . . . ? C54 C51 C52 C53 53.9(13) . . . . ? C55 C51 C52 C53 -69.0(14) . . . . ? S11 C51 C52 C53 175.1(9) . . . . ? N11 C52 C53 O21 20.8(16) . . . . ? C51 C52 C53 O21 -99.8(15) . . . . ? N11 C52 C53 O22 -158.8(10) . . . . ? C51 C52 C53 O22 80.6(13) . . . . ? Pd6 S12 C56 C57 -40.8(10) . . . . ? Ag7 S12 C56 C57 -170.3(8) . . . . ? Ag6 S12 C56 C57 80.5(10) . . . . ? Pd6 S12 C56 C59 84.2(9) . . . . ? Ag7 S12 C56 C59 -45.3(10) . . . . ? Ag6 S12 C56 C59 -154.5(8) . . . . ? Pd6 S12 C56 C60 -158.5(8) . . . . ? Ag7 S12 C56 C60 72.0(9) . . . . ? Ag6 S12 C56 C60 -37.2(9) . . . . ? C59 C56 C57 C58 60.5(17) . . . . ? C60 C56 C57 C58 -64.0(18) . . . . ? S12 C56 C57 C58 -178.6(12) . . . . ? C59 C56 C57 N12 -64.5(15) . . . . ? C60 C56 C57 N12 171.1(11) . . . . ? S12 C56 C57 N12 56.5(14) . . . . ? Pd6 N12 C57 C56 -47.8(15) . . . . ? Pd6 N12 C57 C58 -173.5(11) . . . . ? C56 C57 C58 O24 78(2) . . . . ? N12 C57 C58 O24 -159.3(15) . . . . ? C56 C57 C58 O23 -105.7(17) . . . . ? N12 C57 C58 O23 17(2) . . . . ? C48 O20 La1 O3 -169.3(11) . . . 4_655 ? C48 O20 La1 O11 37.9(14) . . . 5_675 ? C48 O20 La1 O32 -115.7(13) . . . . ? C48 O20 La1 O28 100.7(13) . . . . ? C48 O20 La1 O29 -69.3(13) . . . . ? C48 O20 La1 O31 166.5(13) . . . . ? C48 O20 La1 O30 -18.8(12) . . . . ? C48 O20 La1 O27 50.2(12) . . . . ? C48 O20 La1 C61 73.7(13) . . . . ? C38 O16 La2 O16 -99(2) . . . 6_556 ? C38 O16 La2 O36 -99(2) . . . . ? C38 O16 La2 O33 113(2) . . . 6_556 ? C38 O16 La2 O33 59(2) . . . . ? C38 O16 La2 O34 5(3) . . . 6_556 ? C38 O16 La2 O34 135(2) . . . . ? C38 O16 La2 O35 -22(2) . . . 6_556 ? C38 O16 La2 O35 -166(2) . . . . ? C18 O8 La4 O7 1.3(12) . . . . ? C18 O8 La4 La4 -67.7(13) . . . 5_775 ? C18 O8 La4 O49 122.0(12) . . . 8_655 ? C18 O7 La4 O8 -1.6(14) . . . . ? C18 O7 La4 La4 128.1(16) . . . 5_775 ? C18 O7 La4 O49 -49.7(16) . . . 8_655 ? O7 C18 La4 O8 177(2) . . . . ? C17 C18 La4 O8 9(4) . . . . ? O8 C18 La4 O7 -177(2) . . . . ? C17 C18 La4 O7 -169(5) . . . . ? O7 C18 La4 La4 -57.3(17) . . . 5_775 ? O8 C18 La4 La4 125.3(11) . . . 5_775 ? C17 C18 La4 La4 134(4) . . . 5_775 ? O7 C18 La4 O49 128.0(17) . . . 8_655 ? O8 C18 La4 O49 -49.3(11) . . . 8_655 ? C17 C18 La4 O49 -41(4) . . . 8_655 ? O3 La1 O27 C61 -53.8(12) 4_655 . . . ? O20 La1 O27 C61 90.9(11) . . . . ? O11 La1 O27 C61 -97.5(11) 5_675 . . . ? O32 La1 O27 C61 111.6(12) . . . . ? O28 La1 O27 C61 -3.7(11) . . . . ? O29 La1 O27 C61 -153.0(11) . . . . ? O31 La1 O27 C61 26.6(12) . . . . ? O30 La1 O27 C61 169.7(12) . . . . ? O3 La1 O28 C61 149.9(10) 4_655 . . . ? O20 La1 O28 C61 -70.5(10) . . . . ? O11 La1 O28 C61 74.2(10) 5_675 . . . ? O32 La1 O28 C61 -121.9(11) . . . . ? O29 La1 O28 C61 89.1(15) . . . . ? O31 La1 O28 C61 -144.9(11) . . . . ? O30 La1 O28 C61 -3.6(11) . . . . ? O27 La1 O28 C61 3.1(9) . . . . ? La1 O27 C61 O28 5.9(18) . . . . ? La1 O27 C61 C62 -178.7(18) . . . . ? La1 O28 C61 O27 -6.2(19) . . . . ? La1 O28 C61 C62 177.8(13) . . . . ? O3 La1 C61 O27 138.9(9) 4_655 . . . ? O20 La1 C61 O27 -82.2(10) . . . . ? O11 La1 C61 O27 74.8(11) 5_675 . . . ? O32 La1 C61 O27 -96.9(14) . . . . ? O28 La1 C61 O27 173.9(19) . . . . ? O29 La1 C61 O27 38.7(14) . . . . ? O31 La1 C61 O27 -154.8(11) . . . . ? O30 La1 C61 O27 -9.4(11) . . . . ? O3 La1 C61 O28 -34.9(12) 4_655 . . . ? O20 La1 C61 O28 103.9(10) . . . . ? O11 La1 C61 O28 -99.0(10) 5_675 . . . ? O32 La1 C61 O28 89.2(12) . . . . ? O29 La1 C61 O28 -135.1(9) . . . . ? O31 La1 C61 O28 31.3(10) . . . . ? O30 La1 C61 O28 176.7(10) . . . . ? O27 La1 C61 O28 -173.9(19) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N1 H1 O39 0.92 2.16 3.014(16) 153.7 . N1 H2 O13 0.92 2.19 2.942(14) 138.4 5_665 N2 H3 O13 0.92 2.41 3.215(13) 146.1 5_665 N2 H4 O39 0.92 2.46 3.242(15) 143.3 . N3 H5 O63 0.92 2.31 3.13(3) 149.1 . N3 H5 O48 0.92 2.50 3.130(19) 125.8 4_655 N4 H7 O15 0.92 2.16 3.057(19) 164.3 7_564 N4 H8 O63 0.92 2.41 3.21(3) 145.2 . N5 H9 O22 0.92 2.17 3.000(14) 149.7 3_565 N5 H10 O46 0.92 2.61 3.467(17) 155.6 5_765 N6 H11 O30 0.92 2.31 3.050(12) 136.7 5_765 N6 H11 O27 0.92 2.49 3.253(14) 140.2 5_765 N6 H12 O37 0.92 2.19 3.062(14) 157.2 3_565 N7 H13 O5 0.92 1.90 2.622(15) 134.2 8_645 N7 H14 O1 0.92 2.20 3.053(15) 154.8 5_665 N8 H15 O40 0.92 2.18 2.998(16) 148.1 5_665 N9 H17 O23 0.92 2.28 3.146(14) 155.7 3_465 N9 H17 O24 0.92 2.43 3.176(15) 137.9 3_465 N10 H19 O56 0.92 2.23 3.09(2) 154.6 . N10 H20 O42 0.92 2.08 2.970(14) 161.5 3_465 N11 H21 O50 0.92 2.01 2.92(2) 166.9 . N11 H22 O62 0.92 2.38 3.30(3) 173.9 8_655 N12 H23 O65 0.92 2.11 2.96(3) 152.4 . N12 H24 O47 0.92 2.49 3.39(2) 166.5 . _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 27.57 _diffrn_measured_fraction_theta_full 0.996 _refine_diff_density_max 2.877 _refine_diff_density_min -4.710 _refine_diff_density_rms 0.206 #==END data_8 _database_code_depnum_ccdc_archive 'CCDC 779328' #TrackingRef '1319_web_deposit_cif_file_0_NobutoYoshinari_1275398352.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C62 H184 Ag8 Cl La2 N12 Ni6 O62.50 S12' _chemical_formula_weight 4011.42 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' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' La La -0.2871 2.4523 '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' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'P 41 21 2' _symmetry_space_group_name_Hall 'P 4abw 2nw' _symmetry_Int_Tables_number 92 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y+1/2, x+1/2, z+1/4' '-x, -y, z+1/2' 'y+1/2, -x+1/2, z+3/4' '-x+1/2, y+1/2, -z+1/4' 'y, x, -z' 'x+1/2, -y+1/2, -z+3/4' '-y, -x, -z+1/2' _cell_length_a 24.4191(5) _cell_length_b 24.4191(5) _cell_length_c 47.6380(9) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 28406.2(10) _cell_formula_units_Z 8 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 183430 _cell_measurement_theta_min 3.0 _cell_measurement_theta_max 27.5 _exptl_crystal_description block _exptl_crystal_colour red _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.15 _exptl_crystal_size_min 0.15 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.876 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 16056 _exptl_absorpt_coefficient_mu 2.716 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.4096 _exptl_absorpt_correction_T_max 0.6861 _exptl_absorpt_process_details ; Higashi, T. (1995). Program for Absorption Correction. Rigaku Corporation, Tokyo, Japan. ; _exptl_special_details ; ? ; _chemical_absolute_configuration rm _diffrn_ambient_temperature 200(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Rigaku RAXIS-RAPID' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 10.00 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 279226 _diffrn_reflns_av_R_equivalents 0.1174 _diffrn_reflns_av_sigmaI/netI 0.0606 _diffrn_reflns_limit_h_min -30 _diffrn_reflns_limit_h_max 31 _diffrn_reflns_limit_k_min -31 _diffrn_reflns_limit_k_max 31 _diffrn_reflns_limit_l_min -61 _diffrn_reflns_limit_l_max 58 _diffrn_reflns_theta_min 2.99 _diffrn_reflns_theta_max 27.48 _reflns_number_total 32508 _reflns_number_gt 27768 _reflns_threshold_expression >2sigma(I) _computing_data_collection PROCESS-AUTO _computing_cell_refinement PROCESS-AUTO _computing_data_reduction CrystalStructure _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0440P)^2^+1252.6063P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.09(3) _refine_ls_number_reflns 32508 _refine_ls_number_parameters 1379 _refine_ls_number_restraints 33 _refine_ls_R_factor_all 0.1270 _refine_ls_R_factor_gt 0.1151 _refine_ls_wR_factor_ref 0.2628 _refine_ls_wR_factor_gt 0.2553 _refine_ls_goodness_of_fit_ref 1.039 _refine_ls_restrained_S_all 1.038 _refine_ls_shift/su_max 0.008 _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 Ag1 Ag 0.22311(7) 0.15477(7) 0.23075(3) 0.0428(3) Uani 1 1 d . . . Ag2 Ag 0.35216(7) 0.10619(7) 0.24969(3) 0.0472(4) Uani 1 1 d . . . Ag3 Ag 0.31115(7) 0.00170(7) 0.28633(3) 0.0489(4) Uani 1 1 d . . . Ag4 Ag 0.17424(7) 0.05677(6) 0.27224(3) 0.0432(3) Uani 1 1 d . . . Ag5 Ag 0.23319(7) 0.23557(7) 0.28870(3) 0.0434(3) Uani 1 1 d . . . Ag6 Ag 0.37319(8) 0.20920(8) 0.30787(3) 0.0558(4) Uani 1 1 d . . . Ag7 Ag 0.29810(7) 0.09178(7) 0.34187(3) 0.0431(3) Uani 1 1 d . . . Ag8 Ag 0.15794(11) 0.14033(8) 0.33847(4) 0.0707(6) Uani 1 1 d . . . Ni1 Ni 0.25604(10) -0.00510(11) 0.20444(4) 0.0361(5) Uani 1 1 d . . . Ni2 Ni 0.33903(11) 0.27302(10) 0.22813(5) 0.0376(5) Uani 1 1 d . . . Ni3 Ni 0.45581(11) 0.06451(10) 0.31282(5) 0.0370(5) Uani 1 1 d . . . Ni4 Ni 0.18489(10) -0.02727(10) 0.34447(5) 0.0328(5) Uani 1 1 d . . . Ni5 Ni 0.07496(10) 0.18783(10) 0.26761(5) 0.0354(5) Uani 1 1 d . . . Ni6 Ni 0.26623(10) 0.24715(10) 0.37122(5) 0.0334(5) Uani 1 1 d . . . Cl1 Cl 0.2645(2) 0.1235(2) 0.28835(9) 0.0406(10) Uani 1 1 d . . . S1 S 0.20060(19) 0.0568(2) 0.22020(9) 0.0359(10) Uani 1 1 d . . . S2 S 0.3219(2) 0.0123(2) 0.23388(9) 0.0396(11) Uani 1 1 d . . . S3 S 0.3177(2) 0.1869(2) 0.22110(9) 0.0364(10) Uani 1 1 d . . . S4 S 0.3253(2) 0.2701(2) 0.27293(10) 0.0451(12) Uani 1 1 d . . . S5 S 0.4229(2) 0.1281(2) 0.28577(10) 0.0451(12) Uani 1 1 d . . . S6 S 0.37558(19) 0.03177(19) 0.32373(9) 0.0324(9) Uani 1 1 d . . . S7 S 0.2141(2) -0.0199(2) 0.30157(9) 0.0367(10) Uani 1 1 d . . . S8 S 0.2065(2) 0.05550(19) 0.35632(9) 0.0354(9) Uani 1 1 d . . . S9 S 0.1045(2) 0.1209(2) 0.29358(9) 0.0388(10) Uani 1 1 d . . . S10 S 0.1554(2) 0.21525(19) 0.25436(9) 0.0355(9) Uani 1 1 d . . . S11 S 0.20475(19) 0.23198(18) 0.33963(9) 0.0326(9) Uani 1 1 d . . . S12 S 0.3250(2) 0.1903(2) 0.35363(9) 0.0382(10) Uani 1 1 d . . . O1 O 0.1078(7) -0.0513(7) 0.1510(3) 0.054(4) Uani 1 1 d . . . O2 O 0.0896(8) 0.0335(8) 0.1369(4) 0.073(5) Uani 1 1 d D . . O3 O 0.3801(6) -0.1071(7) 0.1600(3) 0.051(4) Uani 1 1 d . . . O4 O 0.4329(10) -0.1302(10) 0.1946(5) 0.113(10) Uani 1 1 d . . . O5 O 0.3744(7) 0.2662(7) 0.1338(3) 0.059(4) Uani 1 1 d . . . O6 O 0.2976(6) 0.2224(7) 0.1229(3) 0.055(4) Uani 1 1 d . . . O7 O 0.3674(9) 0.4522(8) 0.2424(5) 0.081(6) Uani 1 1 d . . . O8 O 0.4041(14) 0.4482(10) 0.2845(5) 0.130(12) Uani 1 1 d . . . O9A O 0.6150(16) 0.1276(16) 0.2769(9) 0.069(5) Uiso 0.50 1 d PD A 1 O10A O 0.5917(16) 0.2161(13) 0.2750(8) 0.069(5) Uiso 0.50 1 d PD A 1 O9B O 0.6244(16) 0.1033(15) 0.2762(9) 0.069(5) Uiso 0.50 1 d PD B 2 O10B O 0.6171(16) 0.1888(14) 0.2762(8) 0.069(5) Uiso 0.50 1 d PD B 2 O11 O 0.5222(5) -0.0729(6) 0.3689(3) 0.048(4) Uani 1 1 d . . . O12 O 0.4573(7) -0.1327(7) 0.3563(4) 0.069(5) Uani 1 1 d . . . O13 O 0.1399(6) -0.2024(6) 0.3162(4) 0.056(4) Uani 1 1 d . . . O14 O 0.2142(7) -0.2150(6) 0.2914(3) 0.055(4) Uani 1 1 d . . . O15 O 0.1602(7) -0.0518(7) 0.4375(3) 0.057(4) Uani 1 1 d . . . O16 O 0.1251(10) 0.0326(9) 0.4476(4) 0.090(8) Uani 1 1 d . . . O17A O -0.0859(12) 0.1064(11) 0.2938(6) 0.040(6) Uiso 0.50 1 d P C 1 O18A O -0.0632(15) 0.1015(15) 0.3417(8) 0.062(9) Uiso 0.50 1 d P C 1 O17B O -0.0950(11) 0.1252(12) 0.2785(6) 0.042(6) Uiso 0.50 1 d P D 2 O18B O -0.0898(15) 0.0959(15) 0.3221(8) 0.063(9) Uiso 0.50 1 d P D 2 O19 O 0.0121(7) 0.3216(6) 0.2076(3) 0.053(4) Uani 1 1 d . . . O20 O 0.0813(7) 0.3097(6) 0.1765(3) 0.050(4) Uani 1 1 d . . . O21 O 0.1518(7) 0.3840(7) 0.3982(4) 0.057(4) Uani 1 1 d . . . O22 O 0.0732(6) 0.3401(6) 0.3899(3) 0.048(4) Uani 1 1 d . . . O23 O 0.3888(8) 0.2529(11) 0.4435(5) 0.102(9) Uani 1 1 d . . . O24 O 0.4618(6) 0.2489(6) 0.4182(5) 0.068(5) Uani 1 1 d . . . N1 N 0.2034(7) -0.0183(8) 0.1753(3) 0.042(4) Uani 1 1 d . . . H1 H 0.2223 -0.0254 0.1590 0.051 Uiso 1 1 calc R . . H2 H 0.1844 -0.0497 0.1798 0.051 Uiso 1 1 calc R . . N2 N 0.2995(6) -0.0635(6) 0.1895(3) 0.036(3) Uani 1 1 d . . . H3 H 0.2772 -0.0935 0.1872 0.043 Uiso 1 1 calc R . . H4 H 0.3115 -0.0532 0.1720 0.043 Uiso 1 1 calc R . . N3 N 0.3428(8) 0.2802(7) 0.1879(3) 0.045(4) Uani 1 1 d . . . H5 H 0.3274 0.3133 0.1830 0.054 Uiso 1 1 calc R . . H6 H 0.3791 0.2814 0.1827 0.054 Uiso 1 1 calc R . . N4 N 0.3666(8) 0.3460(8) 0.2329(4) 0.052(5) Uani 1 1 d . J . H7 H 0.3978 0.3494 0.2222 0.062 Uiso 1 1 calc R . . H8 H 0.3411 0.3699 0.2257 0.062 Uiso 1 1 calc R . . N5 N 0.5275(8) 0.0967(9) 0.3062(4) 0.060(6) Uani 1 1 d . . . H9 H 0.5431 0.1026 0.3235 0.072 Uiso 1 1 calc R . . H10 H 0.5484 0.0705 0.2974 0.072 Uiso 1 1 calc R . . N6 N 0.4859(6) 0.0052(6) 0.3349(4) 0.041(4) Uani 1 1 d . . . H11 H 0.5188 -0.0050 0.3271 0.049 Uiso 1 1 calc R . . H12 H 0.4930 0.0181 0.3527 0.049 Uiso 1 1 calc R . . N7 N 0.1745(7) -0.1057(7) 0.3382(3) 0.040(4) Uani 1 1 d . H . H13 H 0.1901 -0.1246 0.3529 0.048 Uiso 1 1 calc R . . H14 H 0.1376 -0.1132 0.3382 0.048 Uiso 1 1 calc R . . N8 N 0.1539(7) -0.0357(8) 0.3822(4) 0.045(4) Uani 1 1 d . . . H15 H 0.1194 -0.0503 0.3804 0.054 Uiso 1 1 calc R . . H16 H 0.1749 -0.0610 0.3917 0.054 Uiso 1 1 calc R . . N9 N 0.0024(8) 0.1715(7) 0.2822(4) 0.053(5) Uani 1 1 d . . . H17 H -0.0135 0.2043 0.2869 0.063 Uiso 1 1 calc R . . H18 H -0.0177 0.1572 0.2676 0.063 Uiso 1 1 calc R . . N10 N 0.0447(7) 0.2376(7) 0.2408(4) 0.050(5) Uani 1 1 d . . . H19 H 0.0149 0.2212 0.2326 0.060 Uiso 1 1 calc R . . H20 H 0.0322 0.2680 0.2503 0.060 Uiso 1 1 calc R . . N11 N 0.2152(7) 0.2959(7) 0.3891(3) 0.038(4) Uani 1 1 d . . . H21 H 0.2166 0.2897 0.4082 0.046 Uiso 1 1 calc R . . H22 H 0.2269 0.3313 0.3861 0.046 Uiso 1 1 calc R . . N12 N 0.3207(7) 0.2654(7) 0.3982(3) 0.042(4) Uani 1 1 d . G . H23 H 0.3226 0.3030 0.3992 0.050 Uiso 1 1 calc R . . H24 H 0.3089 0.2530 0.4154 0.050 Uiso 1 1 calc R . . C1 C 0.1401(8) 0.0459(9) 0.1970(4) 0.042(5) Uani 1 1 d . . . C2 C 0.1630(8) 0.0251(9) 0.1694(4) 0.043(5) Uani 1 1 d . . . H25 H 0.1808 0.0558 0.1589 0.051 Uiso 1 1 calc R . . C3 C 0.1157(11) -0.0010(13) 0.1510(4) 0.064(8) Uani 1 1 d . . . C4 C 0.0995(9) 0.0099(10) 0.2103(5) 0.054(6) Uani 1 1 d . . . H26 H 0.0857 0.0273 0.2275 0.081 Uiso 1 1 calc R . . H27 H 0.1167 -0.0251 0.2150 0.081 Uiso 1 1 calc R . . H28 H 0.0690 0.0037 0.1973 0.081 Uiso 1 1 calc R . . C5 C 0.1139(14) 0.1016(14) 0.1914(6) 0.089(10) Uani 1 1 d . . . H29 H 0.1408 0.1259 0.1827 0.133 Uiso 1 1 calc R . . H30 H 0.1014 0.1175 0.2092 0.133 Uiso 1 1 calc R . . H31 H 0.0825 0.0970 0.1788 0.133 Uiso 1 1 calc R . . C6 C 0.3807(9) -0.0266(9) 0.2173(4) 0.046(5) Uani 1 1 d . . . C7 C 0.3498(7) -0.0812(10) 0.2070(4) 0.045(5) Uani 1 1 d . . . H32 H 0.3397 -0.1059 0.2229 0.054 Uiso 1 1 calc R . . C8 C 0.3890(8) -0.1092(9) 0.1855(5) 0.049(6) Uani 1 1 d . . . C9 C 0.4184(12) -0.0421(11) 0.2412(6) 0.072(8) Uani 1 1 d . . . H33 H 0.3986 -0.0651 0.2547 0.108 Uiso 1 1 calc R . . H34 H 0.4312 -0.0088 0.2507 0.108 Uiso 1 1 calc R . . H35 H 0.4499 -0.0623 0.2338 0.108 Uiso 1 1 calc R . . C10 C 0.4025(11) 0.0075(11) 0.1938(5) 0.063(7) Uani 1 1 d . . . H36 H 0.3744 0.0114 0.1793 0.095 Uiso 1 1 calc R . . H37 H 0.4349 -0.0104 0.1857 0.095 Uiso 1 1 calc R . . H38 H 0.4127 0.0437 0.2009 0.095 Uiso 1 1 calc R . . C11 C 0.3346(11) 0.1804(9) 0.1832(3) 0.057(6) Uani 1 1 d P . . C12 C 0.3158(9) 0.2369(8) 0.1716(4) 0.048(5) Uani 1 1 d P . . H39 H 0.2751 0.2404 0.1733 0.057 Uiso 1 1 calc R . . C13 C 0.3333(9) 0.2412(11) 0.1403(4) 0.056(6) Uani 1 1 d . . . C14 C 0.3957(8) 0.1725(9) 0.1805(4) 0.045(5) Uani 1 1 d . . . H40 H 0.4146 0.2036 0.1891 0.067 Uiso 1 1 calc R . . H41 H 0.4056 0.1701 0.1606 0.067 Uiso 1 1 calc R . . H42 H 0.4064 0.1387 0.1901 0.067 Uiso 1 1 calc R . . C15 C 0.3018(9) 0.1328(9) 0.1710(4) 0.048(5) Uani 1 1 d . . . H43 H 0.2627 0.1394 0.1739 0.072 Uiso 1 1 calc R . . H44 H 0.3124 0.0988 0.1805 0.072 Uiso 1 1 calc R . . H45 H 0.3093 0.1296 0.1509 0.072 Uiso 1 1 calc R . . C16 C 0.3283(12) 0.3437(8) 0.2816(5) 0.060(7) Uani 1 1 d . J . C17 C 0.3792(11) 0.3628(9) 0.2608(6) 0.061(7) Uani 1 1 d . . . H46 H 0.4145 0.3462 0.2671 0.073 Uiso 1 1 calc R J . C18 C 0.382(2) 0.4254(12) 0.2618(8) 0.121(18) Uani 1 1 d . J . C19 C 0.3409(15) 0.3512(11) 0.3120(5) 0.084(10) Uani 1 1 d . . . H47 H 0.3738 0.3303 0.3168 0.127 Uiso 1 1 calc R J . H48 H 0.3100 0.3382 0.3233 0.127 Uiso 1 1 calc R . . H49 H 0.3472 0.3902 0.3158 0.127 Uiso 1 1 calc R . . C20 C 0.2767(12) 0.3708(12) 0.2752(6) 0.070(7) Uani 1 1 d U . . H50 H 0.2689 0.3672 0.2551 0.105 Uiso 1 1 calc R J . H51 H 0.2793 0.4096 0.2801 0.105 Uiso 1 1 calc R . . H52 H 0.2471 0.3537 0.2860 0.105 Uiso 1 1 calc R . . C21 C 0.4899(11) 0.1526(10) 0.2681(5) 0.057(6) Uani 1 1 d U . . C22 C 0.5337(9) 0.1437(11) 0.2913(5) 0.058(6) Uani 1 1 d DU . . H53A H 0.5263 0.1733 0.3053 0.070 Uiso 0.50 1 calc PR E 1 H54B H 0.5295 0.1745 0.3050 0.070 Uiso 0.50 1 calc PR E 2 C23A C 0.5819(15) 0.1659(13) 0.2737(10) 0.069(5) Uiso 0.50 1 d PD A 1 C23B C 0.5949(12) 0.1439(14) 0.2819(12) 0.069(5) Uiso 0.50 1 d PD B 2 C24 C 0.4988(13) 0.1151(14) 0.2440(5) 0.084(10) Uani 1 1 d . . . H54 H 0.4702 0.1212 0.2299 0.126 Uiso 1 1 calc R A . H55 H 0.4973 0.0771 0.2505 0.126 Uiso 1 1 calc R . . H56 H 0.5347 0.1224 0.2357 0.126 Uiso 1 1 calc R . . C25 C 0.4738(13) 0.2083(12) 0.2554(8) 0.094(12) Uani 1 1 d . . . H57 H 0.4650 0.2341 0.2705 0.141 Uiso 1 1 calc R A . H58 H 0.4418 0.2036 0.2432 0.141 Uiso 1 1 calc R . . H59 H 0.5044 0.2226 0.2443 0.141 Uiso 1 1 calc R . . C26 C 0.3962(8) -0.0249(8) 0.3478(4) 0.035(4) Uani 1 1 d . . . C27 C 0.4507(9) -0.0442(9) 0.3373(4) 0.042(5) Uani 1 1 d . . . H60 H 0.4459 -0.0607 0.3183 0.050 Uiso 1 1 calc R . . C28 C 0.4788(9) -0.0851(9) 0.3560(5) 0.048(5) Uani 1 1 d . . . C29 C 0.3496(10) -0.0692(11) 0.3454(5) 0.062(7) Uani 1 1 d . . . H61 H 0.3478 -0.0827 0.3261 0.093 Uiso 1 1 calc R . . H62 H 0.3144 -0.0527 0.3505 0.093 Uiso 1 1 calc R . . H63 H 0.3576 -0.0997 0.3581 0.093 Uiso 1 1 calc R . . C30 C 0.3990(8) -0.0026(9) 0.3793(4) 0.042(5) Uani 1 1 d . . . H64 H 0.3625 0.0097 0.3851 0.063 Uiso 1 1 calc R . . H65 H 0.4247 0.0281 0.3803 0.063 Uiso 1 1 calc R . . H66 H 0.4114 -0.0320 0.3918 0.063 Uiso 1 1 calc R . . C31 C 0.1911(7) -0.0874(7) 0.2882(4) 0.042(4) Uani 1 1 d P H . C32 C 0.1985(9) -0.1256(8) 0.3116(4) 0.041(5) Uani 1 1 d . . . H67 H 0.2389 -0.1254 0.3151 0.050 Uiso 1 1 calc R H . C33 C 0.1847(10) -0.1871(9) 0.3055(4) 0.044(5) Uani 1 1 d . H . C34 C 0.1295(9) -0.0824(9) 0.2822(4) 0.049(6) Uani 1 1 d . . . H68 H 0.1237 -0.0566 0.2667 0.074 Uiso 1 1 calc R H . H69 H 0.1107 -0.0689 0.2991 0.074 Uiso 1 1 calc R . . H70 H 0.1148 -0.1183 0.2771 0.074 Uiso 1 1 calc R . . C35 C 0.2254(10) -0.1038(10) 0.2624(4) 0.050(5) Uani 1 1 d U . . H71 H 0.2187 -0.0777 0.2471 0.075 Uiso 1 1 calc R H . H72 H 0.2149 -0.1407 0.2563 0.075 Uiso 1 1 calc R . . H73 H 0.2643 -0.1035 0.2674 0.075 Uiso 1 1 calc R . . C36 C 0.1984(8) 0.0494(8) 0.3946(4) 0.035(4) Uani 1 1 d . . . C37 C 0.1497(9) 0.0132(8) 0.3998(4) 0.040(5) Uani 1 1 d . . . H74 H 0.1159 0.0337 0.3943 0.048 Uiso 1 1 calc R . . C38 C 0.1432(10) -0.0063(10) 0.4298(4) 0.050(5) Uani 1 1 d . . . C39 C 0.2532(10) 0.0214(11) 0.4060(5) 0.059(6) Uani 1 1 d . . . H75 H 0.2575 -0.0148 0.3974 0.088 Uiso 1 1 calc R . . H76 H 0.2509 0.0175 0.4265 0.088 Uiso 1 1 calc R . . H77 H 0.2847 0.0444 0.4012 0.088 Uiso 1 1 calc R . . C40 C 0.1921(15) 0.1056(11) 0.4055(4) 0.080(10) Uani 1 1 d . . . H78 H 0.1589 0.1220 0.3976 0.121 Uiso 1 1 calc R . . H79 H 0.2240 0.1275 0.4001 0.121 Uiso 1 1 calc R . . H80 H 0.1892 0.1046 0.4260 0.121 Uiso 1 1 calc R . . C41 C 0.0395(9) 0.0866(8) 0.3015(4) 0.040(5) Uani 1 1 d . . . C42 C -0.0045(9) 0.1366(11) 0.3050(7) 0.077(9) Uani 1 1 d D . . H81B H 0.0024 0.1568 0.3230 0.092 Uiso 0.50 1 calc PR F 2 H81A H 0.0110 0.1582 0.3210 0.092 Uiso 0.50 1 calc PR F 1 C43B C -0.0651(9) 0.1171(15) 0.3037(9) 0.031(7) Uiso 0.50 1 d PD D 2 C43A C -0.0579(13) 0.1130(17) 0.3175(10) 0.045(10) Uiso 0.50 1 d PD C 1 C44 C 0.0215(8) 0.0499(8) 0.2768(5) 0.049(5) Uani 1 1 d . . . H82 H 0.0494 0.0217 0.2734 0.073 Uiso 1 1 calc R D . H83 H 0.0171 0.0723 0.2599 0.073 Uiso 1 1 calc R . . H84 H -0.0134 0.0322 0.2814 0.073 Uiso 1 1 calc R . . C45 C 0.0470(14) 0.0489(10) 0.3270(5) 0.075(9) Uani 1 1 d . . . H85 H 0.0730 0.0198 0.3223 0.113 Uiso 1 1 calc R D . H86 H 0.0116 0.0326 0.3320 0.113 Uiso 1 1 calc R . . H87 H 0.0610 0.0702 0.3429 0.113 Uiso 1 1 calc R . . C46 C 0.1359(8) 0.2752(8) 0.2325(4) 0.042(5) Uani 1 1 d . . . C47 C 0.0826(8) 0.2563(8) 0.2182(5) 0.046(5) Uani 1 1 d . . . H88 H 0.0916 0.2238 0.2063 0.055 Uiso 1 1 calc R . . C48 C 0.0563(9) 0.2978(9) 0.2002(4) 0.045(5) Uani 1 1 d . . . C49 C 0.1802(11) 0.2769(13) 0.2086(5) 0.066(7) Uani 1 1 d . . . H89 H 0.2157 0.2876 0.2165 0.099 Uiso 1 1 calc R . . H90 H 0.1693 0.3037 0.1943 0.099 Uiso 1 1 calc R . . H91 H 0.1834 0.2406 0.1999 0.099 Uiso 1 1 calc R . . C50 C 0.1303(9) 0.3262(7) 0.2495(4) 0.041(4) Uani 1 1 d . . . H92 H 0.1653 0.3347 0.2585 0.061 Uiso 1 1 calc R . . H93 H 0.1021 0.3209 0.2639 0.061 Uiso 1 1 calc R . . H94 H 0.1196 0.3566 0.2372 0.061 Uiso 1 1 calc R . . C51 C 0.1560(7) 0.2872(7) 0.3473(4) 0.032(4) Uani 1 1 d . . . C52 C 0.1568(8) 0.2919(8) 0.3800(4) 0.042(5) Uani 1 1 d . . . H95 H 0.1398 0.2584 0.3884 0.050 Uiso 1 1 calc R . . C53 C 0.1234(11) 0.3461(11) 0.3906(4) 0.058(6) Uani 1 1 d . . . C54 C 0.1023(10) 0.2693(13) 0.3362(6) 0.083(11) Uani 1 1 d . . . H96 H 0.0915 0.2350 0.3453 0.125 Uiso 1 1 calc R . . H97 H 0.1052 0.2635 0.3159 0.125 Uiso 1 1 calc R . . H98 H 0.0748 0.2976 0.3399 0.125 Uiso 1 1 calc R . . C55 C 0.1751(16) 0.3401(11) 0.3334(6) 0.093(12) Uani 1 1 d . . . H99 H 0.2111 0.3503 0.3407 0.140 Uiso 1 1 calc R . . H100 H 0.1488 0.3694 0.3374 0.140 Uiso 1 1 calc R . . H101 H 0.1775 0.3346 0.3130 0.140 Uiso 1 1 calc R . . C56 C 0.3730(8) 0.1866(8) 0.3830(4) 0.039(4) Uani 1 1 d . G . C57 C 0.3764(7) 0.2449(7) 0.3939(5) 0.045(5) Uani 1 1 d . . . H102 H 0.3947 0.2680 0.3793 0.054 Uiso 1 1 calc R G . C58 C 0.4099(11) 0.2500(9) 0.4221(6) 0.059(7) Uani 1 1 d . G . C59 C 0.3533(11) 0.1475(8) 0.4059(5) 0.053(6) Uani 1 1 d . . . H103 H 0.3177 0.1598 0.4130 0.079 Uiso 1 1 calc R G . H104 H 0.3799 0.1470 0.4213 0.079 Uiso 1 1 calc R . . H105 H 0.3497 0.1105 0.3981 0.079 Uiso 1 1 calc R . . C60 C 0.4291(9) 0.1658(10) 0.3724(6) 0.059(6) Uani 1 1 d . . . H106 H 0.4423 0.1899 0.3574 0.089 Uiso 1 1 calc R G . H107 H 0.4253 0.1285 0.3652 0.089 Uiso 1 1 calc R . . H108 H 0.4554 0.1661 0.3880 0.089 Uiso 1 1 calc R . . O25 O 0.4523(13) 0.2722(13) 0.3199(7) 0.155(14) Uani 1 1 d . . . O26 O 0.0750(17) 0.1486(12) 0.3747(5) 0.157(15) Uani 1 1 d . . . La1 La 0.08160(5) 0.37835(5) 0.13748(3) 0.0407(3) Uani 1 1 d . . . La2A La 0.33892(11) 0.29335(11) 0.48150(6) 0.0482(6) Uiso 0.50 1 d P G -1 La3A La 0.2730(5) -0.3010(5) 0.2852(2) 0.040(2) Uiso 0.10 1 d P H 1 La3B La 0.2727(6) -0.3793(6) 0.2776(3) 0.052(3) Uiso 0.10 1 d P I 2 La3C La 0.3743(6) 0.5562(5) 0.2521(3) 0.046(3) Uiso 0.10 1 d P J 3 La3D La 0.3927(5) 0.5469(5) 0.2731(3) 0.046(3) Uiso 0.10 1 d P J 4 La3E La 0.3666(7) 0.5620(7) 0.2355(4) 0.067(4) Uiso 0.10 1 d P J 5 O27 O 0.0888(6) 0.4325(7) 0.1859(4) 0.061(4) Uani 1 1 d . . . O28 O 0.1668(8) 0.4124(9) 0.1675(5) 0.079(6) Uani 1 1 d . . . C61 C 0.1400(11) 0.4377(11) 0.1868(7) 0.069(8) Uani 1 1 d . . . C62 C 0.1714(16) 0.4650(17) 0.2103(7) 0.122(17) Uani 1 1 d . . . H109 H 0.1456 0.4802 0.2240 0.183 Uiso 1 1 calc R . . H110 H 0.1939 0.4946 0.2025 0.183 Uiso 1 1 calc R . . H111 H 0.1950 0.4381 0.2195 0.183 Uiso 1 1 calc R . . O29 O 0.0032(6) 0.3890(7) 0.1027(3) 0.056(4) Uani 1 1 d . . . O30 O -0.0124(6) 0.3841(6) 0.1621(3) 0.046(3) Uani 1 1 d . . . O31 O 0.1658(7) 0.3177(9) 0.1315(5) 0.084(6) Uani 1 1 d . . . O32 O 0.0523(10) 0.2858(8) 0.1198(5) 0.098(8) Uani 1 1 d . . . O33 O 0.2308(9) 0.3105(11) 0.4821(5) 0.102(8) Uani 1 1 d . . . O34A O 0.414(2) 0.2996(19) 0.5216(10) 0.093(13) Uiso 0.50 1 d P G -1 O35A O 0.394(2) 0.199(2) 0.4856(10) 0.097(14) Uiso 0.50 1 d P G -1 O36A O 0.2786(16) 0.2268(16) 0.4546(8) 0.070(10) Uiso 0.50 1 d P G -1 O37A O 0.3245(16) 0.3789(16) 0.5106(8) 0.073(10) Uiso 0.50 1 d P G -1 O38A O 0.3075(13) 0.3610(13) 0.4390(7) 0.051(7) Uiso 0.50 1 d P G -1 O39 O 0.5275(7) 0.0694(7) 0.3850(4) 0.061(4) Uiso 1 1 d . . . O40 O 0.2825(8) -0.0158(8) 0.1274(4) 0.067(5) Uiso 1 1 d . . . O41 O 0.5652(7) -0.0119(7) 0.2711(4) 0.064(4) Uiso 1 1 d . . . O42 O 0.0006(11) 0.3124(10) 0.2876(5) 0.100(7) Uiso 1 1 d . . . O43 O 0.2643(11) 0.3709(11) 0.1226(5) 0.104(8) Uiso 1 1 d . . . O44 O 0.0171(11) 0.2425(11) 0.3840(5) 0.107(8) Uiso 1 1 d . . . O45 O 0.1861(10) 0.2093(10) 0.1421(5) 0.099(7) Uiso 1 1 d . . . O46 O 0.4668(13) 0.0612(13) 0.4319(7) 0.136(11) Uiso 1 1 d . . . O47 O 0.0275(14) -0.0399(14) 0.4036(7) 0.144(11) Uiso 1 1 d . . . O48 O 0.5764(12) -0.0535(12) 0.2155(6) 0.118(9) Uiso 1 1 d . . . O49 O 0.2768(14) 0.3831(14) 0.1824(7) 0.141(11) Uiso 1 1 d . . . O50 O 0.1393(13) 0.1200(14) 0.1152(7) 0.139(11) Uiso 1 1 d . . . O51 O 0.2848(16) 0.4033(16) 0.3767(8) 0.167(14) Uiso 1 1 d . . . O52 O 0.5447(16) -0.1544(16) 0.2093(8) 0.169(14) Uiso 1 1 d . . . O53 O 0.2387(16) 0.4641(15) 0.3333(8) 0.160(13) Uiso 1 1 d . . . O54 O 0.3021(17) 0.5103(17) 0.4101(8) 0.180(15) Uiso 1 1 d . . . O55 O 0.3990(18) 0.5108(16) 0.3795(11) 0.24(2) Uiso 1 1 d . . . O56A O 0.211(2) 0.037(2) 0.0866(11) 0.110(16) Uiso 0.50 1 d P K 1 O58A O 0.086(2) -0.003(2) 0.4958(11) 0.107(16) Uiso 0.50 1 d P M 1 O59A O 0.351(3) 0.467(2) 0.1854(13) 0.125(19) Uiso 0.50 1 d P N 1 O60A O 0.450(2) -0.190(2) 0.2404(11) 0.105(15) Uiso 0.50 1 d P O 1 O61A O 0.1717(18) 0.2342(17) 0.4438(9) 0.077(11) Uiso 0.50 1 d P P 1 O62A O 0.4212(19) 0.2273(19) 0.5635(10) 0.084(12) Uiso 0.50 1 d P Q 1 O63A O 0.2860(18) 0.1862(19) 0.0707(9) 0.086(12) Uiso 0.50 1 d P R 1 O64A O 0.298(3) -0.217(3) 0.2458(14) 0.15(2) Uiso 0.50 1 d P H 1 O65A O 0.207(2) -0.316(2) 0.3205(11) 0.110(16) Uiso 0.50 1 d P H 1 O57B O 0.2733(17) 0.1292(17) 0.4699(8) 0.075(11) Uiso 0.50 1 d P L 2 O61B O 0.2394(17) 0.2176(17) 0.4414(9) 0.076(11) Uiso 0.50 1 d P S 2 O62B O 0.4034(12) 0.2173(12) 0.5489(6) 0.042(6) Uiso 0.50 1 d P T 2 O63B O 0.302(2) 0.121(2) 0.0856(10) 0.098(14) Uiso 0.50 1 d P U 2 O64B O 0.127(3) 0.219(2) 0.4387(13) 0.122(19) Uiso 0.50 1 d P V 2 O65B O 0.3465(17) 0.4823(16) 0.4639(9) 0.075(10) Uiso 0.50 1 d P W 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.0454(8) 0.0453(8) 0.0378(7) 0.0011(6) 0.0043(6) 0.0063(7) Ag2 0.0625(10) 0.0476(9) 0.0315(7) 0.0020(6) 0.0008(7) 0.0074(7) Ag3 0.0599(10) 0.0543(9) 0.0324(7) -0.0006(7) -0.0076(7) -0.0027(8) Ag4 0.0575(9) 0.0412(8) 0.0307(7) 0.0014(6) -0.0007(6) 0.0082(7) Ag5 0.0551(9) 0.0450(8) 0.0302(7) 0.0001(6) 0.0023(6) 0.0074(7) Ag6 0.0625(11) 0.0701(12) 0.0348(8) 0.0031(8) 0.0028(7) 0.0077(9) Ag7 0.0513(9) 0.0443(8) 0.0336(7) 0.0026(6) 0.0059(6) 0.0071(7) Ag8 0.1067(17) 0.0428(9) 0.0626(12) 0.0071(8) -0.0294(12) -0.0005(10) Ni1 0.0402(13) 0.0482(14) 0.0198(10) -0.0048(9) -0.0016(9) 0.0086(11) Ni2 0.0474(14) 0.0367(12) 0.0288(11) 0.0040(10) 0.0071(10) -0.0020(11) Ni3 0.0437(13) 0.0396(13) 0.0276(11) 0.0041(10) 0.0003(10) -0.0113(11) Ni4 0.0438(13) 0.0327(11) 0.0219(10) 0.0036(9) 0.0017(9) 0.0003(10) Ni5 0.0363(12) 0.0328(12) 0.0370(12) 0.0048(10) 0.0052(10) 0.0090(10) Ni6 0.0367(12) 0.0351(12) 0.0283(11) -0.0059(9) -0.0009(9) 0.0035(10) Cl1 0.056(3) 0.041(2) 0.0250(19) 0.0030(17) 0.0025(19) 0.009(2) S1 0.037(2) 0.045(2) 0.026(2) 0.0016(18) 0.0027(17) 0.012(2) S2 0.047(3) 0.048(3) 0.023(2) -0.0066(18) -0.0028(18) 0.017(2) S3 0.046(3) 0.036(2) 0.027(2) 0.0035(17) 0.0092(18) -0.004(2) S4 0.066(3) 0.038(2) 0.031(2) -0.0034(19) 0.008(2) -0.013(2) S5 0.066(3) 0.040(3) 0.029(2) -0.001(2) 0.006(2) -0.006(2) S6 0.035(2) 0.034(2) 0.028(2) 0.0023(17) 0.0014(17) 0.0040(19) S7 0.050(3) 0.037(2) 0.0233(19) 0.0023(17) -0.0007(19) 0.006(2) S8 0.047(3) 0.033(2) 0.026(2) 0.0037(17) 0.0040(18) 0.002(2) S9 0.051(3) 0.039(2) 0.026(2) 0.0059(18) 0.0046(19) 0.006(2) S10 0.038(2) 0.037(2) 0.032(2) 0.0098(18) 0.0025(18) 0.0016(19) S11 0.041(2) 0.032(2) 0.0256(19) -0.0041(16) 0.0015(17) 0.0120(19) S12 0.042(2) 0.044(3) 0.028(2) -0.0034(18) 0.0017(18) 0.012(2) O1 0.061(10) 0.051(9) 0.051(9) -0.009(7) -0.004(7) -0.017(8) O2 0.086(13) 0.074(12) 0.060(10) -0.003(9) -0.038(10) 0.026(10) O3 0.053(9) 0.062(10) 0.039(8) -0.022(7) 0.008(7) -0.002(8) O4 0.115(19) 0.102(17) 0.122(19) -0.071(15) -0.044(15) 0.075(15) O5 0.066(10) 0.073(11) 0.038(8) 0.008(8) -0.003(7) -0.009(9) O6 0.044(8) 0.089(12) 0.032(7) 0.016(7) -0.019(6) -0.033(8) O7 0.075(13) 0.054(11) 0.114(18) 0.002(11) -0.021(12) -0.012(10) O8 0.20(3) 0.095(18) 0.095(17) -0.005(14) -0.014(19) -0.10(2) O11 0.029(7) 0.058(9) 0.058(9) 0.005(7) -0.007(6) -0.011(6) O12 0.061(10) 0.044(9) 0.102(14) 0.014(9) -0.029(10) -0.015(8) O13 0.044(8) 0.044(8) 0.079(11) -0.003(8) 0.000(8) -0.016(7) O14 0.060(10) 0.038(8) 0.068(10) -0.019(7) -0.011(8) 0.011(7) O15 0.065(10) 0.062(10) 0.046(8) 0.005(7) 0.006(8) 0.030(9) O16 0.126(18) 0.103(15) 0.041(9) 0.018(10) 0.043(11) 0.065(14) O19 0.058(10) 0.044(8) 0.055(9) 0.012(7) 0.006(7) 0.000(7) O20 0.063(10) 0.049(8) 0.038(7) 0.016(6) -0.017(7) 0.006(7) O21 0.048(9) 0.049(9) 0.075(11) -0.017(8) -0.018(8) 0.008(7) O22 0.035(7) 0.045(8) 0.065(10) 0.000(7) 0.009(7) 0.016(6) O23 0.061(12) 0.16(2) 0.085(14) -0.075(15) -0.044(11) 0.045(13) O24 0.030(7) 0.041(9) 0.132(17) 0.003(9) -0.005(9) 0.010(7) N1 0.035(8) 0.063(11) 0.029(8) 0.000(7) -0.002(6) 0.015(8) N2 0.038(8) 0.034(8) 0.036(8) -0.014(6) -0.002(7) -0.010(7) N3 0.072(12) 0.044(9) 0.018(7) 0.004(6) -0.008(7) -0.015(9) N4 0.055(11) 0.058(11) 0.043(10) 0.030(9) 0.025(8) -0.004(9) N5 0.060(12) 0.077(14) 0.043(10) 0.007(9) -0.011(9) -0.052(11) N6 0.028(8) 0.032(8) 0.063(11) -0.001(7) -0.008(7) -0.001(6) N7 0.052(10) 0.040(9) 0.027(7) 0.003(6) -0.004(7) 0.000(7) N8 0.037(9) 0.059(11) 0.040(9) 0.003(8) 0.002(7) -0.007(8) N9 0.068(13) 0.032(9) 0.058(11) 0.013(8) 0.025(10) -0.003(9) N10 0.042(9) 0.035(9) 0.073(12) 0.013(8) 0.009(9) -0.027(8) N11 0.049(9) 0.040(8) 0.026(7) -0.014(6) -0.004(7) -0.005(7) N12 0.042(9) 0.047(9) 0.036(8) -0.018(7) -0.003(7) 0.024(8) C1 0.044(11) 0.058(12) 0.024(8) 0.014(8) -0.009(8) -0.005(10) C2 0.030(9) 0.063(13) 0.036(10) 0.005(9) -0.016(8) 0.004(9) C3 0.067(15) 0.10(2) 0.023(9) -0.034(12) -0.011(10) 0.031(15) C4 0.051(12) 0.057(13) 0.054(12) -0.013(11) -0.009(10) -0.043(11) C5 0.11(3) 0.10(2) 0.059(16) 0.031(16) -0.008(17) 0.04(2) C6 0.054(12) 0.057(13) 0.027(9) -0.006(9) -0.002(9) 0.014(10) C7 0.027(9) 0.081(15) 0.027(9) -0.021(9) -0.010(7) 0.026(10) C8 0.035(10) 0.058(13) 0.055(13) -0.028(10) 0.008(9) 0.027(10) C9 0.077(18) 0.066(16) 0.073(17) -0.026(14) -0.031(15) -0.008(14) C10 0.067(16) 0.067(16) 0.055(14) 0.001(12) 0.039(12) 0.021(13) C11 0.102(18) 0.054(12) 0.016(7) 0.005(7) 0.002(9) 0.030(12) C12 0.062(12) 0.048(11) 0.034(9) 0.018(8) -0.008(9) -0.002(10) C13 0.051(12) 0.092(18) 0.024(9) 0.013(10) 0.007(9) -0.027(13) C14 0.037(10) 0.053(12) 0.044(11) -0.001(9) 0.018(9) 0.011(9) C15 0.054(12) 0.062(14) 0.028(9) 0.015(9) -0.005(9) -0.018(11) C16 0.09(2) 0.024(9) 0.063(14) 0.005(9) 0.011(13) 0.003(11) C17 0.072(16) 0.034(11) 0.077(17) 0.033(11) 0.005(13) -0.009(11) C18 0.23(5) 0.042(15) 0.09(2) 0.006(16) -0.06(3) -0.04(2) C19 0.16(3) 0.059(16) 0.035(12) -0.024(11) -0.005(16) -0.031(18) C20 0.072(8) 0.066(8) 0.074(8) -0.004(5) 0.005(5) 0.002(5) C21 0.062(7) 0.055(7) 0.055(7) -0.002(5) 0.005(5) -0.003(5) C22 0.059(7) 0.059(7) 0.057(7) 0.000(5) -0.002(5) -0.010(5) C24 0.09(2) 0.13(3) 0.035(12) -0.033(15) 0.018(13) -0.01(2) C25 0.10(2) 0.058(17) 0.13(3) -0.008(18) 0.07(2) -0.001(16) C26 0.032(9) 0.035(9) 0.039(10) 0.003(8) 0.007(8) -0.009(8) C27 0.052(12) 0.052(12) 0.021(8) -0.012(8) 0.012(8) 0.002(10) C28 0.051(12) 0.040(11) 0.052(12) -0.003(9) -0.008(10) -0.012(10) C29 0.063(15) 0.073(16) 0.050(13) 0.026(12) -0.031(11) -0.038(13) C30 0.042(10) 0.052(12) 0.032(9) 0.015(8) 0.016(8) 0.023(9) C31 0.044(10) 0.043(9) 0.038(9) 0.003(8) 0.003(8) 0.028(8) C32 0.052(12) 0.045(11) 0.027(8) 0.016(8) -0.016(8) -0.025(9) C33 0.061(13) 0.044(11) 0.028(9) 0.012(8) -0.005(9) -0.014(10) C34 0.068(14) 0.044(11) 0.035(10) -0.001(8) -0.025(10) 0.028(11) C35 0.054(6) 0.053(6) 0.043(6) 0.000(5) 0.001(5) -0.001(5) C36 0.041(10) 0.035(9) 0.030(9) -0.001(7) 0.012(7) 0.007(8) C37 0.053(12) 0.044(10) 0.023(8) 0.000(7) 0.022(8) 0.008(9) C38 0.064(14) 0.052(13) 0.032(10) -0.017(9) 0.018(10) -0.004(11) C39 0.065(15) 0.074(16) 0.037(11) 0.019(11) -0.022(10) 0.016(12) C40 0.15(3) 0.060(15) 0.028(10) 0.002(10) 0.017(14) 0.051(18) C41 0.065(13) 0.033(9) 0.022(8) -0.001(7) 0.014(8) 0.020(9) C42 0.067(17) 0.058(15) 0.11(2) -0.022(15) 0.042(16) -0.046(14) C44 0.035(10) 0.034(10) 0.077(16) -0.008(10) 0.005(10) 0.001(8) C45 0.13(3) 0.044(13) 0.049(13) 0.015(11) 0.020(16) -0.023(15) C46 0.042(10) 0.046(11) 0.037(10) 0.022(9) 0.001(8) 0.019(9) C47 0.041(10) 0.041(10) 0.055(12) 0.016(9) -0.016(9) 0.021(9) C48 0.047(11) 0.060(13) 0.027(9) 0.016(9) -0.013(8) 0.004(10) C49 0.059(15) 0.09(2) 0.044(12) 0.024(13) 0.002(11) 0.000(14) C50 0.053(12) 0.029(9) 0.041(10) 0.000(8) -0.007(9) 0.000(8) C51 0.029(8) 0.035(9) 0.030(8) 0.002(7) -0.002(7) 0.017(7) C52 0.047(11) 0.046(11) 0.033(9) 0.013(8) 0.009(8) 0.026(9) C53 0.063(14) 0.082(17) 0.029(10) 0.032(11) -0.003(10) 0.010(14) C54 0.049(14) 0.11(2) 0.09(2) -0.066(19) -0.035(14) 0.043(15) C55 0.16(3) 0.067(17) 0.055(15) 0.025(13) 0.038(18) 0.07(2) C56 0.032(9) 0.036(9) 0.047(11) -0.005(8) -0.004(8) 0.022(8) C57 0.021(8) 0.024(8) 0.090(16) -0.016(9) -0.014(9) -0.004(7) C58 0.069(16) 0.042(12) 0.065(16) -0.020(11) -0.022(13) 0.029(12) C59 0.074(16) 0.034(10) 0.049(12) 0.003(9) -0.009(11) 0.002(11) C60 0.046(13) 0.055(14) 0.076(17) 0.004(12) 0.011(11) 0.019(11) O25 0.15(3) 0.15(3) 0.16(3) -0.02(2) 0.05(2) -0.12(2) O26 0.30(5) 0.11(2) 0.062(14) 0.038(14) 0.04(2) 0.03(3) La1 0.0378(6) 0.0343(5) 0.0501(6) 0.0046(5) -0.0032(5) 0.0037(5) O27 0.036(8) 0.062(10) 0.084(12) -0.006(9) -0.018(8) 0.008(7) O28 0.046(10) 0.085(14) 0.107(16) -0.002(12) 0.000(10) -0.014(10) C61 0.055(15) 0.056(15) 0.10(2) 0.021(15) -0.031(15) -0.017(12) C62 0.13(3) 0.15(3) 0.09(2) -0.02(2) 0.00(2) -0.12(3) O29 0.043(8) 0.060(10) 0.065(10) 0.002(8) -0.024(8) 0.000(7) O30 0.040(8) 0.043(8) 0.056(9) 0.004(7) 0.000(7) -0.011(6) O31 0.045(10) 0.086(14) 0.120(17) 0.028(12) 0.022(10) 0.033(10) O32 0.126(19) 0.068(13) 0.099(16) 0.026(12) -0.057(14) -0.051(13) O33 0.067(13) 0.12(2) 0.119(19) 0.012(16) 0.019(13) -0.013(13) _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 Ag1 S3 2.482(5) . ? Ag1 S10 2.486(5) . ? Ag1 S1 2.507(5) . ? Ag1 Cl1 3.022(5) . ? Ag1 Ag4 3.325(2) . ? Ag2 S5 2.494(6) . ? Ag2 S2 2.524(5) . ? Ag2 S3 2.539(5) . ? Ag2 Cl1 2.855(5) . ? Ag2 Ag3 3.250(2) . ? Ag3 S6 2.488(5) . ? Ag3 S2 2.526(5) . ? Ag3 S7 2.535(6) . ? Ag3 Cl1 3.186(5) . ? Ag4 S9 2.527(5) . ? Ag4 S7 2.531(5) . ? Ag4 S1 2.561(5) . ? Ag4 Cl1 2.846(6) . ? Ag5 S4 2.516(6) . ? Ag5 S11 2.525(4) . ? Ag5 S10 2.556(5) . ? Ag5 Cl1 2.842(5) . ? Ag6 S12 2.520(5) . ? Ag6 S4 2.520(6) . ? Ag6 O25 2.54(2) . ? Ag6 S5 2.551(6) . ? Ag6 Cl1 3.506(6) . ? Ag7 S8 2.503(5) . ? Ag7 S6 2.544(5) . ? Ag7 S12 2.556(5) . ? Ag7 Cl1 2.788(5) . ? Ag8 S11 2.514(5) . ? Ag8 S8 2.534(5) . ? Ag8 S9 2.549(5) . ? Ag8 Cl1 3.556(5) . ? Ni1 N2 1.914(15) . ? Ni1 N1 1.920(16) . ? Ni1 S1 2.163(5) . ? Ni1 S2 2.176(5) . ? Ni2 N4 1.917(19) . ? Ni2 N3 1.927(14) . ? Ni2 S4 2.162(5) . ? Ni2 S3 2.193(5) . ? Ni3 N6 1.935(16) . ? Ni3 N5 1.946(17) . ? Ni3 S5 2.172(6) . ? Ni3 S6 2.179(5) . ? Ni4 N7 1.954(16) . ? Ni4 N8 1.960(17) . ? Ni4 S8 2.164(5) . ? Ni4 S7 2.171(5) . ? Ni5 N10 1.910(18) . ? Ni5 N9 1.945(19) . ? Ni5 S10 2.169(5) . ? Ni5 S9 2.172(5) . ? Ni6 N12 1.902(16) . ? Ni6 N11 1.923(16) . ? Ni6 S11 2.157(5) . ? Ni6 S12 2.166(5) . ? S1 C1 1.86(2) . ? S2 C6 1.89(2) . ? S3 C11 1.861(17) . ? S4 C16 1.85(2) . ? S5 C21 1.93(3) . ? S6 C26 1.87(2) . ? S7 C31 1.85(2) . ? S8 C36 1.840(18) . ? S9 C41 1.84(2) . ? S10 C46 1.858(17) . ? S11 C51 1.836(16) . ? S12 C56 1.83(2) . ? O1 C3 1.24(3) . ? O2 C3 1.26(3) . ? O3 C8 1.24(3) . ? O3 La1 2.474(14) 5_545 ? O4 C8 1.26(3) . ? O5 C13 1.22(3) . ? O6 C13 1.29(2) . ? O7 C18 1.19(4) . ? O7 La3C 2.59(2) . ? O7 La3E 2.70(3) . ? O7 La3D 2.81(2) . ? O8 C18 1.33(4) . ? O8 La3D 2.49(3) . ? O9A C23A 1.245(10) . ? O10A C23A 1.249(10) . ? O9B C23B 1.256(10) . ? O10B C23B 1.252(10) . ? O11 C28 1.26(2) . ? O11 La1 2.456(14) 8_655 ? O12 C28 1.28(3) . ? O13 C33 1.27(3) . ? O14 C33 1.20(3) . ? O14 La3A 2.561(19) . ? O15 C38 1.24(3) . ? O16 C38 1.35(3) . ? O17A C43A 1.33(5) . ? O18A C43A 1.19(5) . ? O17B C43B 1.42(5) . ? O18B C43B 1.19(5) . ? O19 C48 1.28(3) . ? O20 C48 1.31(2) . ? O20 La1 2.505(13) . ? O21 C53 1.21(3) . ? O22 C53 1.24(3) . ? O23 C58 1.14(3) . ? O23 La2A 2.40(2) . ? O24 C58 1.28(3) . ? N1 C2 1.48(2) . ? N1 H1 0.9200 . ? N1 H2 0.9200 . ? N2 C7 1.54(2) . ? N2 H3 0.9200 . ? N2 H4 0.9200 . ? N3 C12 1.47(2) . ? N3 H5 0.9200 . ? N3 H6 0.9200 . ? N4 C17 1.43(3) . ? N4 H7 0.9200 . ? N4 H8 0.9200 . ? N5 C22 1.36(3) . ? N5 H9 0.9200 . ? N5 H10 0.9200 . ? N6 C27 1.49(3) . ? N6 H11 0.9200 . ? N6 H12 0.9200 . ? N7 C32 1.48(3) . ? N7 H13 0.9200 . ? N7 H14 0.9200 . ? N8 C37 1.46(3) . ? N8 H15 0.9200 . ? N8 H16 0.9200 . ? N9 C42 1.39(3) . ? N9 H17 0.9200 . ? N9 H18 0.9200 . ? N10 C47 1.49(3) . ? N10 H19 0.9200 . ? N10 H20 0.9200 . ? N11 C52 1.50(3) . ? N11 H21 0.9200 . ? N11 H22 0.9200 . ? N12 C57 1.46(2) . ? N12 H23 0.9200 . ? N12 H24 0.9200 . ? C1 C4 1.47(3) . ? C1 C2 1.52(3) . ? C1 C5 1.53(3) . ? C2 C3 1.58(3) . ? C2 H25 1.0000 . ? C4 H26 0.9800 . ? C4 H27 0.9800 . ? C4 H28 0.9800 . ? C5 H29 0.9800 . ? C5 H30 0.9800 . ? C5 H31 0.9800 . ? C6 C10 1.50(3) . ? C6 C9 1.51(3) . ? C6 C7 1.61(3) . ? C7 C8 1.56(2) . ? C7 H32 1.0000 . ? C9 H33 0.9800 . ? C9 H34 0.9800 . ? C9 H35 0.9800 . ? C10 H36 0.9800 . ? C10 H37 0.9800 . ? C10 H38 0.9800 . ? C11 C14 1.51(3) . ? C11 C15 1.52(3) . ? C11 C12 1.55(3) . ? C12 C13 1.56(3) . ? C12 H39 1.0000 . ? C14 H40 0.9800 . ? C14 H41 0.9800 . ? C14 H42 0.9800 . ? C15 H43 0.9800 . ? C15 H44 0.9800 . ? C15 H45 0.9800 . ? C16 C20 1.45(4) . ? C16 C19 1.49(3) . ? C16 C17 1.66(3) . ? C17 C18 1.53(3) . ? C17 H46 1.0000 . ? C18 La3D 3.03(3) . ? C19 H47 0.9800 . ? C19 H48 0.9800 . ? C19 H49 0.9800 . ? C20 H50 0.9800 . ? C20 H51 0.9800 . ? C20 H52 0.9800 . ? C21 C24 1.49(3) . ? C21 C25 1.54(4) . ? C21 C22 1.55(3) . ? C22 C23A 1.543(10) . ? C22 C23B 1.559(10) . ? C22 H53A 1.0000 . ? C22 H54B 1.0000 . ? C24 H54 0.9800 . ? C24 H55 0.9800 . ? C24 H56 0.9800 . ? C25 H57 0.9800 . ? C25 H58 0.9800 . ? C25 H59 0.9800 . ? C26 C27 1.50(3) . ? C26 C29 1.57(3) . ? C26 C30 1.60(3) . ? C27 C28 1.50(3) . ? C27 H60 1.0000 . ? C29 H61 0.9800 . ? C29 H62 0.9800 . ? C29 H63 0.9800 . ? C30 H64 0.9800 . ? C30 H65 0.9800 . ? C30 H66 0.9800 . ? C31 C32 1.46(2) . ? C31 C34 1.53(3) . ? C31 C35 1.54(3) . ? C32 C33 1.57(3) . ? C32 H67 1.0000 . ? C34 H68 0.9800 . ? C34 H69 0.9800 . ? C34 H70 0.9800 . ? C35 H71 0.9800 . ? C35 H72 0.9800 . ? C35 H73 0.9800 . ? C36 C40 1.47(3) . ? C36 C37 1.50(3) . ? C36 C39 1.60(3) . ? C37 C38 1.52(3) . ? C37 H74 1.0000 . ? C39 H75 0.9800 . ? C39 H76 0.9800 . ? C39 H77 0.9800 . ? C40 H78 0.9800 . ? C40 H79 0.9800 . ? C40 H80 0.9800 . ? C41 C45 1.53(3) . ? C41 C44 1.55(3) . ? C41 C42 1.64(3) . ? C42 C43A 1.544(10) . ? C42 C43B 1.555(10) . ? C42 H81B 1.0000 . ? C42 H81A 1.0000 . ? C44 H82 0.9800 . ? C44 H83 0.9800 . ? C44 H84 0.9800 . ? C45 H85 0.9800 . ? C45 H86 0.9800 . ? C45 H87 0.9800 . ? C46 C50 1.49(3) . ? C46 C47 1.54(3) . ? C46 C49 1.57(3) . ? C47 C48 1.48(2) . ? C47 H88 1.0000 . ? C49 H89 0.9800 . ? C49 H90 0.9800 . ? C49 H91 0.9800 . ? C50 H92 0.9800 . ? C50 H93 0.9800 . ? C50 H94 0.9800 . ? C51 C54 1.48(3) . ? C51 C55 1.52(3) . ? C51 C52 1.56(2) . ? C52 C53 1.63(3) . ? C52 H95 1.0000 . ? C54 H96 0.9800 . ? C54 H97 0.9800 . ? C54 H98 0.9800 . ? C55 H99 0.9800 . ? C55 H100 0.9800 . ? C55 H101 0.9800 . ? C56 C57 1.52(2) . ? C56 C59 1.53(3) . ? C56 C60 1.55(3) . ? C57 C58 1.58(3) . ? C57 H102 1.0000 . ? C59 H103 0.9800 . ? C59 H104 0.9800 . ? C59 H105 0.9800 . ? C60 H106 0.9800 . ? C60 H107 0.9800 . ? C60 H108 0.9800 . ? La1 O11 2.456(14) 8_565 ? La1 O3 2.474(14) 5 ? La1 O32 2.515(19) . ? La1 O29 2.545(14) . ? La1 O31 2.551(16) . ? La1 O30 2.580(14) . ? La1 O28 2.660(19) . ? La1 O27 2.666(18) . ? La2A O33 2.41(3) 6_556 ? La2A O37A 2.53(4) . ? La2A O36A 2.54(4) . ? La2A O34A 2.65(5) . ? La2A O33 2.67(2) . ? La2A O35A 2.68(5) . ? La2A O38A 2.72(3) . ? La3A O64A 2.01(7) 8 ? La3A O65A 2.36(5) . ? La3A O64A 2.84(7) . ? La3A O63A 2.89(5) 2_545 ? La3A La3A 3.49(2) 8 ? La3C La3C 2.41(3) 8_665 ? La3D La3D 3.03(3) 8_665 ? La3E La3E 2.83(4) 8_665 ? O27 C61 1.26(3) . ? O28 C61 1.29(4) . ? C61 C62 1.51(4) . ? C62 H109 0.9800 . ? C62 H110 0.9800 . ? C62 H111 0.9800 . ? O33 La2A 2.41(3) 6_556 ? O63A La3A 2.89(5) 4_554 ? O64A La3A 2.01(7) 8 ? 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 S3 Ag1 S10 121.01(17) . . ? S3 Ag1 S1 117.93(16) . . ? S10 Ag1 S1 120.81(17) . . ? S3 Ag1 Cl1 86.36(15) . . ? S10 Ag1 Cl1 87.83(14) . . ? S1 Ag1 Cl1 90.79(15) . . ? S3 Ag1 Ag4 132.16(13) . . ? S10 Ag1 Ag4 85.41(11) . . ? S1 Ag1 Ag4 49.70(11) . . ? Cl1 Ag1 Ag4 53.02(11) . . ? S5 Ag2 S2 127.08(17) . . ? S5 Ag2 S3 115.65(18) . . ? S2 Ag2 S3 116.60(16) . . ? S5 Ag2 Cl1 92.46(16) . . ? S2 Ag2 Cl1 96.17(16) . . ? S3 Ag2 Cl1 89.01(15) . . ? S5 Ag2 Ag3 90.67(13) . . ? S2 Ag2 Ag3 49.97(11) . . ? S3 Ag2 Ag3 142.68(13) . . ? Cl1 Ag2 Ag3 62.52(11) . . ? S6 Ag3 S2 127.76(18) . . ? S6 Ag3 S7 116.60(16) . . ? S2 Ag3 S7 113.71(17) . . ? S6 Ag3 Cl1 85.92(15) . . ? S2 Ag3 Cl1 88.35(14) . . ? S7 Ag3 Cl1 81.47(15) . . ? S6 Ag3 Ag2 87.59(12) . . ? S2 Ag3 Ag2 49.91(13) . . ? S7 Ag3 Ag2 127.28(13) . . ? Cl1 Ag3 Ag2 52.66(10) . . ? S9 Ag4 S7 119.71(16) . . ? S9 Ag4 S1 123.97(15) . . ? S7 Ag4 S1 115.95(16) . . ? S9 Ag4 Cl1 93.34(16) . . ? S7 Ag4 Cl1 88.68(16) . . ? S1 Ag4 Cl1 93.80(16) . . ? S9 Ag4 Ag1 91.98(12) . . ? S7 Ag4 Ag1 136.28(14) . . ? S1 Ag4 Ag1 48.29(12) . . ? Cl1 Ag4 Ag1 58.03(10) . . ? S4 Ag5 S11 122.98(17) . . ? S4 Ag5 S10 122.55(16) . . ? S11 Ag5 S10 113.82(16) . . ? S4 Ag5 Cl1 94.61(17) . . ? S11 Ag5 Cl1 92.66(14) . . ? S10 Ag5 Cl1 90.53(16) . . ? S12 Ag6 S4 117.57(18) . . ? S12 Ag6 O25 105.7(7) . . ? S4 Ag6 O25 98.3(9) . . ? S12 Ag6 S5 115.92(17) . . ? S4 Ag6 S5 113.98(17) . . ? O25 Ag6 S5 101.7(9) . . ? S12 Ag6 Cl1 76.50(15) . . ? S4 Ag6 Cl1 79.97(15) . . ? O25 Ag6 Cl1 177.7(7) . . ? S5 Ag6 Cl1 77.69(16) . . ? S8 Ag7 S6 123.66(16) . . ? S8 Ag7 S12 120.18(16) . . ? S6 Ag7 S12 115.17(17) . . ? S8 Ag7 Cl1 94.99(16) . . ? S6 Ag7 Cl1 93.89(15) . . ? S12 Ag7 Cl1 90.84(15) . . ? S11 Ag8 S8 120.51(18) . . ? S11 Ag8 S9 114.62(16) . . ? S8 Ag8 S9 111.67(17) . . ? S11 Ag8 Cl1 77.59(14) . . ? S8 Ag8 Cl1 77.78(14) . . ? S9 Ag8 Cl1 77.86(15) . . ? N2 Ni1 N1 88.7(7) . . ? N2 Ni1 S1 174.9(5) . . ? N1 Ni1 S1 87.1(5) . . ? N2 Ni1 S2 88.6(5) . . ? N1 Ni1 S2 173.8(5) . . ? S1 Ni1 S2 95.9(2) . . ? N4 Ni2 N3 90.9(7) . . ? N4 Ni2 S4 88.2(5) . . ? N3 Ni2 S4 173.0(7) . . ? N4 Ni2 S3 173.0(6) . . ? N3 Ni2 S3 87.0(5) . . ? S4 Ni2 S3 94.7(2) . . ? N6 Ni3 N5 92.8(8) . . ? N6 Ni3 S5 176.5(6) . . ? N5 Ni3 S5 87.0(7) . . ? N6 Ni3 S6 86.4(5) . . ? N5 Ni3 S6 175.1(6) . . ? S5 Ni3 S6 94.1(2) . . ? N7 Ni4 N8 89.3(7) . . ? N7 Ni4 S8 170.6(5) . . ? N8 Ni4 S8 87.3(6) . . ? N7 Ni4 S7 88.8(5) . . ? N8 Ni4 S7 176.2(6) . . ? S8 Ni4 S7 95.08(19) . . ? N10 Ni5 N9 91.0(7) . . ? N10 Ni5 S10 87.7(5) . . ? N9 Ni5 S10 172.9(6) . . ? N10 Ni5 S9 170.8(6) . . ? N9 Ni5 S9 86.8(6) . . ? S10 Ni5 S9 95.6(2) . . ? N12 Ni6 N11 90.5(6) . . ? N12 Ni6 S11 176.2(6) . . ? N11 Ni6 S11 88.0(5) . . ? N12 Ni6 S12 87.0(5) . . ? N11 Ni6 S12 176.4(5) . . ? S11 Ni6 S12 94.66(19) . . ? Ag7 Cl1 Ag5 109.94(16) . . ? Ag7 Cl1 Ag4 108.39(17) . . ? Ag5 Cl1 Ag4 110.14(17) . . ? Ag7 Cl1 Ag2 109.18(17) . . ? Ag5 Cl1 Ag2 110.37(17) . . ? Ag4 Cl1 Ag2 108.79(16) . . ? Ag7 Cl1 Ag1 177.3(2) . . ? Ag5 Cl1 Ag1 70.84(11) . . ? Ag4 Cl1 Ag1 68.95(12) . . ? Ag2 Cl1 Ag1 72.70(11) . . ? Ag7 Cl1 Ag3 70.33(11) . . ? Ag5 Cl1 Ag3 174.5(2) . . ? Ag4 Cl1 Ag3 74.61(13) . . ? Ag2 Cl1 Ag3 64.83(11) . . ? Ag1 Cl1 Ag3 109.17(14) . . ? Ag7 Cl1 Ag6 72.57(12) . . ? Ag5 Cl1 Ag6 68.10(12) . . ? Ag4 Cl1 Ag6 178.23(18) . . ? Ag2 Cl1 Ag6 72.06(13) . . ? Ag1 Cl1 Ag6 110.07(15) . . ? Ag3 Cl1 Ag6 107.15(15) . . ? Ag7 Cl1 Ag8 68.49(10) . . ? Ag5 Cl1 Ag8 71.79(11) . . ? Ag4 Cl1 Ag8 71.36(12) . . ? Ag2 Cl1 Ag8 177.41(17) . . ? Ag1 Cl1 Ag8 109.59(15) . . ? Ag3 Cl1 Ag8 112.95(14) . . ? Ag6 Cl1 Ag8 107.86(13) . . ? C1 S1 Ni1 101.0(7) . . ? C1 S1 Ag1 115.4(7) . . ? Ni1 S1 Ag1 126.8(2) . . ? C1 S1 Ag4 112.0(6) . . ? Ni1 S1 Ag4 119.6(2) . . ? Ag1 S1 Ag4 82.01(15) . . ? C6 S2 Ni1 101.2(7) . . ? C6 S2 Ag2 111.0(8) . . ? Ni1 S2 Ag2 125.9(2) . . ? C6 S2 Ag3 116.0(6) . . ? Ni1 S2 Ag3 122.7(2) . . ? Ag2 S2 Ag3 80.12(14) . . ? C11 S3 Ni2 100.2(7) . . ? C11 S3 Ag1 111.1(9) . . ? Ni2 S3 Ag1 119.7(2) . . ? C11 S3 Ag2 112.4(6) . . ? Ni2 S3 Ag2 125.7(2) . . ? Ag1 S3 Ag2 87.95(15) . . ? C16 S4 Ni2 100.5(8) . . ? C16 S4 Ag5 107.2(9) . . ? Ni2 S4 Ag5 116.4(2) . . ? C16 S4 Ag6 114.1(9) . . ? Ni2 S4 Ag6 126.8(3) . . ? Ag5 S4 Ag6 91.13(17) . . ? C21 S5 Ni3 99.5(8) . . ? C21 S5 Ag2 110.7(8) . . ? Ni3 S5 Ag2 120.8(2) . . ? C21 S5 Ag6 109.9(8) . . ? Ni3 S5 Ag6 119.1(2) . . ? Ag2 S5 Ag6 97.0(2) . . ? C26 S6 Ni3 100.1(6) . . ? C26 S6 Ag3 113.1(6) . . ? Ni3 S6 Ag3 120.4(2) . . ? C26 S6 Ag7 114.8(6) . . ? Ni3 S6 Ag7 122.6(2) . . ? Ag3 S6 Ag7 86.73(16) . . ? C31 S7 Ni4 98.6(6) . . ? C31 S7 Ag4 110.6(6) . . ? Ni4 S7 Ag4 117.0(2) . . ? C31 S7 Ag3 111.7(6) . . ? Ni4 S7 Ag3 126.4(2) . . ? Ag4 S7 Ag3 92.70(16) . . ? C36 S8 Ni4 99.0(6) . . ? C36 S8 Ag7 113.4(7) . . ? Ni4 S8 Ag7 118.5(2) . . ? C36 S8 Ag8 110.4(6) . . ? Ni4 S8 Ag8 124.2(2) . . ? Ag7 S8 Ag8 92.09(16) . . ? C41 S9 Ni5 100.0(6) . . ? C41 S9 Ag4 112.4(6) . . ? Ni5 S9 Ag4 117.5(2) . . ? C41 S9 Ag8 110.7(6) . . ? Ni5 S9 Ag8 120.5(2) . . ? Ag4 S9 Ag8 96.20(18) . . ? C46 S10 Ni5 100.1(7) . . ? C46 S10 Ag1 112.6(6) . . ? Ni5 S10 Ag1 123.4(2) . . ? C46 S10 Ag5 113.3(7) . . ? Ni5 S10 Ag5 123.1(2) . . ? Ag1 S10 Ag5 84.87(15) . . ? C51 S11 Ni6 100.7(6) . . ? C51 S11 Ag8 111.3(6) . . ? Ni6 S11 Ag8 119.0(2) . . ? C51 S11 Ag5 110.1(6) . . ? Ni6 S11 Ag5 118.2(2) . . ? Ag8 S11 Ag5 97.74(16) . . ? C56 S12 Ni6 99.2(6) . . ? C56 S12 Ag6 111.8(7) . . ? Ni6 S12 Ag6 121.8(2) . . ? C56 S12 Ag7 106.6(6) . . ? Ni6 S12 Ag7 121.2(2) . . ? Ag6 S12 Ag7 95.91(16) . . ? C8 O3 La1 145.8(13) . 5_545 ? C18 O7 La3C 112(2) . . ? C18 O7 La3E 130(2) . . ? C18 O7 La3D 88.9(19) . . ? C18 O8 La3D 101(2) . . ? C28 O11 La1 138.7(15) . 8_655 ? C33 O14 La3A 150.4(15) . . ? C48 O20 La1 141.8(14) . . ? C58 O23 La2A 158(2) . . ? C2 N1 Ni1 117.7(13) . . ? C2 N1 H1 107.9 . . ? Ni1 N1 H1 107.9 . . ? C2 N1 H2 107.9 . . ? Ni1 N1 H2 107.9 . . ? H1 N1 H2 107.2 . . ? C7 N2 Ni1 116.7(10) . . ? C7 N2 H3 108.1 . . ? Ni1 N2 H3 108.1 . . ? C7 N2 H4 108.1 . . ? Ni1 N2 H4 108.1 . . ? H3 N2 H4 107.3 . . ? C12 N3 Ni2 115.9(12) . . ? C12 N3 H5 108.3 . . ? Ni2 N3 H5 108.3 . . ? C12 N3 H6 108.3 . . ? Ni2 N3 H6 108.3 . . ? H5 N3 H6 107.4 . . ? C17 N4 Ni2 116.9(12) . . ? C17 N4 H7 108.1 . . ? Ni2 N4 H7 108.1 . . ? C17 N4 H8 108.1 . . ? Ni2 N4 H8 108.1 . . ? H7 N4 H8 107.3 . . ? C22 N5 Ni3 121.8(17) . . ? C22 N5 H9 106.9 . . ? Ni3 N5 H9 106.9 . . ? C22 N5 H10 106.9 . . ? Ni3 N5 H10 106.9 . . ? H9 N5 H10 106.7 . . ? C27 N6 Ni3 115.5(12) . . ? C27 N6 H11 108.4 . . ? Ni3 N6 H11 108.4 . . ? C27 N6 H12 108.4 . . ? Ni3 N6 H12 108.4 . . ? H11 N6 H12 107.5 . . ? C32 N7 Ni4 113.7(12) . . ? C32 N7 H13 108.8 . . ? Ni4 N7 H13 108.8 . . ? C32 N7 H14 108.8 . . ? Ni4 N7 H14 108.8 . . ? H13 N7 H14 107.7 . . ? C37 N8 Ni4 117.8(13) . . ? C37 N8 H15 107.9 . . ? Ni4 N8 H15 107.9 . . ? C37 N8 H16 107.9 . . ? Ni4 N8 H16 107.9 . . ? H15 N8 H16 107.2 . . ? C42 N9 Ni5 121.1(17) . . ? C42 N9 H17 107.1 . . ? Ni5 N9 H17 107.1 . . ? C42 N9 H18 107.1 . . ? Ni5 N9 H18 107.1 . . ? H17 N9 H18 106.8 . . ? C47 N10 Ni5 115.9(13) . . ? C47 N10 H19 108.3 . . ? Ni5 N10 H19 108.3 . . ? C47 N10 H20 108.3 . . ? Ni5 N10 H20 108.3 . . ? H19 N10 H20 107.4 . . ? C52 N11 Ni6 116.6(11) . . ? C52 N11 H21 108.1 . . ? Ni6 N11 H21 108.1 . . ? C52 N11 H22 108.1 . . ? Ni6 N11 H22 108.1 . . ? H21 N11 H22 107.3 . . ? C57 N12 Ni6 118.5(12) . . ? C57 N12 H23 107.7 . . ? Ni6 N12 H23 107.7 . . ? C57 N12 H24 107.7 . . ? Ni6 N12 H24 107.7 . . ? H23 N12 H24 107.1 . . ? C4 C1 C2 115.1(19) . . ? C4 C1 C5 109(2) . . ? C2 C1 C5 107.5(18) . . ? C4 C1 S1 111.3(13) . . ? C2 C1 S1 105.7(14) . . ? C5 C1 S1 108.0(18) . . ? N1 C2 C1 108.7(15) . . ? N1 C2 C3 107.6(18) . . ? C1 C2 C3 110.2(17) . . ? N1 C2 H25 110.1 . . ? C1 C2 H25 110.1 . . ? C3 C2 H25 110.1 . . ? O1 C3 O2 126(2) . . ? O1 C3 C2 121(2) . . ? O2 C3 C2 113(3) . . ? C1 C4 H26 109.5 . . ? C1 C4 H27 109.5 . . ? H26 C4 H27 109.5 . . ? C1 C4 H28 109.5 . . ? H26 C4 H28 109.5 . . ? H27 C4 H28 109.5 . . ? C1 C5 H29 109.5 . . ? C1 C5 H30 109.5 . . ? H29 C5 H30 109.5 . . ? C1 C5 H31 109.5 . . ? H29 C5 H31 109.5 . . ? H30 C5 H31 109.5 . . ? C10 C6 C9 119(2) . . ? C10 C6 C7 113.4(18) . . ? C9 C6 C7 108.1(18) . . ? C10 C6 S2 107.7(15) . . ? C9 C6 S2 105.9(16) . . ? C7 C6 S2 100.8(13) . . ? N2 C7 C8 105.0(14) . . ? N2 C7 C6 107.9(17) . . ? C8 C7 C6 106.1(17) . . ? N2 C7 H32 112.4 . . ? C8 C7 H32 112.4 . . ? C6 C7 H32 112.4 . . ? O3 C8 O4 120.1(19) . . ? O3 C8 C7 121.2(17) . . ? O4 C8 C7 118(2) . . ? C6 C9 H33 109.5 . . ? C6 C9 H34 109.5 . . ? H33 C9 H34 109.5 . . ? C6 C9 H35 109.5 . . ? H33 C9 H35 109.5 . . ? H34 C9 H35 109.5 . . ? C6 C10 H36 109.5 . . ? C6 C10 H37 109.5 . . ? H36 C10 H37 109.5 . . ? C6 C10 H38 109.5 . . ? H36 C10 H38 109.5 . . ? H37 C10 H38 109.5 . . ? C14 C11 C15 113.0(18) . . ? C14 C11 C12 112(2) . . ? C15 C11 C12 112.8(18) . . ? C14 C11 S3 108.1(14) . . ? C15 C11 S3 108.4(15) . . ? C12 C11 S3 101.6(13) . . ? N3 C12 C11 108.8(16) . . ? N3 C12 C13 109.5(16) . . ? C11 C12 C13 108.5(18) . . ? N3 C12 H39 110.0 . . ? C11 C12 H39 110.0 . . ? C13 C12 H39 110.0 . . ? O5 C13 O6 125.2(18) . . ? O5 C13 C12 120(2) . . ? O6 C13 C12 114.1(17) . . ? C11 C14 H40 109.5 . . ? C11 C14 H41 109.5 . . ? H40 C14 H41 109.5 . . ? C11 C14 H42 109.5 . . ? H40 C14 H42 109.5 . . ? H41 C14 H42 109.5 . . ? C11 C15 H43 109.5 . . ? C11 C15 H44 109.5 . . ? H43 C15 H44 109.5 . . ? C11 C15 H45 109.5 . . ? H43 C15 H45 109.5 . . ? H44 C15 H45 109.5 . . ? C20 C16 C19 109(2) . . ? C20 C16 C17 113(2) . . ? C19 C16 C17 113(2) . . ? C20 C16 S4 111(2) . . ? C19 C16 S4 110.2(17) . . ? C17 C16 S4 99.8(15) . . ? N4 C17 C18 109(2) . . ? N4 C17 C16 108(2) . . ? C18 C17 C16 107(3) . . ? N4 C17 H46 110.6 . . ? C18 C17 H46 110.6 . . ? C16 C17 H46 110.6 . . ? O7 C18 O8 122(3) . . ? O7 C18 C17 121(3) . . ? O8 C18 C17 118(3) . . ? O7 C18 La3D 67.9(17) . . ? O8 C18 La3D 53.9(17) . . ? C17 C18 La3D 171(2) . . ? C16 C19 H47 109.5 . . ? C16 C19 H48 109.5 . . ? H47 C19 H48 109.5 . . ? C16 C19 H49 109.5 . . ? H47 C19 H49 109.5 . . ? H48 C19 H49 109.5 . . ? C16 C20 H50 109.5 . . ? C16 C20 H51 109.5 . . ? H50 C20 H51 109.5 . . ? C16 C20 H52 109.5 . . ? H50 C20 H52 109.5 . . ? H51 C20 H52 109.5 . . ? C24 C21 C25 106(2) . . ? C24 C21 C22 111(2) . . ? C25 C21 C22 126(2) . . ? C24 C21 S5 105.6(19) . . ? C25 C21 S5 103.2(17) . . ? C22 C21 S5 103.3(15) . . ? N5 C22 C23A 132(2) . . ? N5 C22 C21 114.4(19) . . ? C23A C22 C21 95(2) . . ? N5 C22 C23B 105(2) . . ? C21 C22 C23B 117(3) . . ? N5 C22 H53A 104.2 . . ? C23A C22 H53A 104.2 . . ? C21 C22 H53A 104.2 . . ? N5 C22 H54B 106.6 . . ? C21 C22 H54B 106.6 . . ? C23B C22 H54B 106.6 . . ? O9A C23A O10A 127(4) . . ? O9A C23A C22 99(3) . . ? O10A C23A C22 118(3) . . ? O10B C23B O9B 113(3) . . ? O10B C23B C22 119(3) . . ? O9B C23B C22 128(3) . . ? C21 C24 H54 109.5 . . ? C21 C24 H55 109.5 . . ? H54 C24 H55 109.5 . . ? C21 C24 H56 109.5 . . ? H54 C24 H56 109.5 . . ? H55 C24 H56 109.5 . . ? C21 C25 H57 109.5 . . ? C21 C25 H58 109.5 . . ? H57 C25 H58 109.5 . . ? C21 C25 H59 109.5 . . ? H57 C25 H59 109.5 . . ? H58 C25 H59 109.5 . . ? C27 C26 C29 113.7(18) . . ? C27 C26 C30 112.5(15) . . ? C29 C26 C30 109.4(16) . . ? C27 C26 S6 105.6(13) . . ? C29 C26 S6 105.6(13) . . ? C30 C26 S6 109.6(13) . . ? N6 C27 C26 106.5(16) . . ? N6 C27 C28 108.8(17) . . ? C26 C27 C28 114.8(16) . . ? N6 C27 H60 108.9 . . ? C26 C27 H60 108.9 . . ? C28 C27 H60 108.9 . . ? O11 C28 O12 124(2) . . ? O11 C28 C27 121.0(19) . . ? O12 C28 C27 115.2(19) . . ? C26 C29 H61 109.5 . . ? C26 C29 H62 109.5 . . ? H61 C29 H62 109.5 . . ? C26 C29 H63 109.5 . . ? H61 C29 H63 109.5 . . ? H62 C29 H63 109.5 . . ? C26 C30 H64 109.5 . . ? C26 C30 H65 109.5 . . ? H64 C30 H65 109.5 . . ? C26 C30 H66 109.5 . . ? H64 C30 H66 109.5 . . ? H65 C30 H66 109.5 . . ? C32 C31 C34 108.3(17) . . ? C32 C31 C35 112.0(16) . . ? C34 C31 C35 113.9(17) . . ? C32 C31 S7 105.5(13) . . ? C34 C31 S7 106.8(12) . . ? C35 C31 S7 109.9(14) . . ? C31 C32 N7 113.3(17) . . ? C31 C32 C33 116.2(15) . . ? N7 C32 C33 113.0(15) . . ? C31 C32 H67 104.3 . . ? N7 C32 H67 104.3 . . ? C33 C32 H67 104.3 . . ? O14 C33 O13 125(2) . . ? O14 C33 C32 121(2) . . ? O13 C33 C32 113(2) . . ? C31 C34 H68 109.5 . . ? C31 C34 H69 109.5 . . ? H68 C34 H69 109.5 . . ? C31 C34 H70 109.5 . . ? H68 C34 H70 109.5 . . ? H69 C34 H70 109.5 . . ? C31 C35 H71 109.5 . . ? C31 C35 H72 109.5 . . ? H71 C35 H72 109.5 . . ? C31 C35 H73 109.5 . . ? H71 C35 H73 109.5 . . ? H72 C35 H73 109.5 . . ? C40 C36 C37 114.0(19) . . ? C40 C36 C39 111(2) . . ? C37 C36 C39 110.8(17) . . ? C40 C36 S8 106.5(13) . . ? C37 C36 S8 107.1(13) . . ? C39 C36 S8 106.4(13) . . ? N8 C37 C36 109.3(14) . . ? N8 C37 C38 106.9(16) . . ? C36 C37 C38 115.0(18) . . ? N8 C37 H74 108.5 . . ? C36 C37 H74 108.5 . . ? C38 C37 H74 108.5 . . ? O15 C38 O16 124(2) . . ? O15 C38 C37 121.6(17) . . ? O16 C38 C37 114(2) . . ? C36 C39 H75 109.5 . . ? C36 C39 H76 109.5 . . ? H75 C39 H76 109.5 . . ? C36 C39 H77 109.5 . . ? H75 C39 H77 109.5 . . ? H76 C39 H77 109.5 . . ? C36 C40 H78 109.5 . . ? C36 C40 H79 109.5 . . ? H78 C40 H79 109.5 . . ? C36 C40 H80 109.5 . . ? H78 C40 H80 109.5 . . ? H79 C40 H80 109.5 . . ? C45 C41 C44 106.8(18) . . ? C45 C41 C42 116.5(19) . . ? C44 C41 C42 108.9(18) . . ? C45 C41 S9 109.6(18) . . ? C44 C41 S9 110.8(13) . . ? C42 C41 S9 104.3(12) . . ? N9 C42 C43A 129(3) . . ? N9 C42 C43B 106(3) . . ? N9 C42 C41 107.3(18) . . ? C43A C42 C41 108(2) . . ? C43B C42 C41 113(2) . . ? N9 C42 H81B 110.2 . . ? C43A C42 H81B 89.8 . . ? C43B C42 H81B 110.2 . . ? C41 C42 H81B 110.2 . . ? N9 C42 H81A 102.9 . . ? C43A C42 H81A 102.9 . . ? C43B C42 H81A 123.5 . . ? C41 C42 H81A 102.9 . . ? O18B C43B O17B 115(3) . . ? O18B C43B C42 126(4) . . ? O17B C43B C42 119(3) . . ? O18A C43A O17A 137(3) . . ? O18A C43A C42 123(4) . . ? O17A C43A C42 99(3) . . ? C41 C44 H82 109.5 . . ? C41 C44 H83 109.5 . . ? H82 C44 H83 109.5 . . ? C41 C44 H84 109.5 . . ? H82 C44 H84 109.5 . . ? H83 C44 H84 109.5 . . ? C41 C45 H85 109.5 . . ? C41 C45 H86 109.5 . . ? H85 C45 H86 109.5 . . ? C41 C45 H87 109.5 . . ? H85 C45 H87 109.5 . . ? H86 C45 H87 109.5 . . ? C50 C46 C47 114.3(16) . . ? C50 C46 C49 116(2) . . ? C47 C46 C49 105.6(18) . . ? C50 C46 S10 112.2(13) . . ? C47 C46 S10 103.1(14) . . ? C49 C46 S10 104.6(14) . . ? C48 C47 N10 111.1(17) . . ? C48 C47 C46 114.8(18) . . ? N10 C47 C46 107.3(16) . . ? C48 C47 H88 107.8 . . ? N10 C47 H88 107.8 . . ? C46 C47 H88 107.8 . . ? O19 C48 O20 122.0(17) . . ? O19 C48 C47 121.3(18) . . ? O20 C48 C47 116.7(19) . . ? C46 C49 H89 109.5 . . ? C46 C49 H90 109.5 . . ? H89 C49 H90 109.5 . . ? C46 C49 H91 109.5 . . ? H89 C49 H91 109.5 . . ? H90 C49 H91 109.5 . . ? C46 C50 H92 109.5 . . ? C46 C50 H93 109.5 . . ? H92 C50 H93 109.5 . . ? C46 C50 H94 109.5 . . ? H92 C50 H94 109.5 . . ? H93 C50 H94 109.5 . . ? C54 C51 C55 111(2) . . ? C54 C51 C52 113.0(19) . . ? C55 C51 C52 111.6(19) . . ? C54 C51 S11 106.6(14) . . ? C55 C51 S11 109.7(15) . . ? C52 C51 S11 104.1(11) . . ? N11 C52 C51 107.9(14) . . ? N11 C52 C53 109.4(18) . . ? C51 C52 C53 111.1(14) . . ? N11 C52 H95 109.5 . . ? C51 C52 H95 109.5 . . ? C53 C52 H95 109.5 . . ? O21 C53 O22 132(3) . . ? O21 C53 C52 115(2) . . ? O22 C53 C52 113(2) . . ? C51 C54 H96 109.5 . . ? C51 C54 H97 109.5 . . ? H96 C54 H97 109.5 . . ? C51 C54 H98 109.5 . . ? H96 C54 H98 109.5 . . ? H97 C54 H98 109.5 . . ? C51 C55 H99 109.5 . . ? C51 C55 H100 109.5 . . ? H99 C55 H100 109.5 . . ? C51 C55 H101 109.5 . . ? H99 C55 H101 109.5 . . ? H100 C55 H101 109.5 . . ? C57 C56 C59 111.1(18) . . ? C57 C56 C60 111.6(18) . . ? C59 C56 C60 107.8(17) . . ? C57 C56 S12 104.5(12) . . ? C59 C56 S12 112.1(15) . . ? C60 C56 S12 109.7(15) . . ? N12 C57 C56 108.5(14) . . ? N12 C57 C58 109.6(18) . . ? C56 C57 C58 113.3(17) . . ? N12 C57 H102 108.5 . . ? C56 C57 H102 108.5 . . ? C58 C57 H102 108.5 . . ? O23 C58 O24 125(2) . . ? O23 C58 C57 122(2) . . ? O24 C58 C57 113(2) . . ? C56 C59 H103 109.5 . . ? C56 C59 H104 109.5 . . ? H103 C59 H104 109.5 . . ? C56 C59 H105 109.5 . . ? H103 C59 H105 109.5 . . ? H104 C59 H105 109.5 . . ? C56 C60 H106 109.5 . . ? C56 C60 H107 109.5 . . ? H106 C60 H107 109.5 . . ? C56 C60 H108 109.5 . . ? H106 C60 H108 109.5 . . ? H107 C60 H108 109.5 . . ? O11 La1 O3 77.2(5) 8_565 5 ? O11 La1 O20 138.8(5) 8_565 . ? O3 La1 O20 141.0(5) 5 . ? O11 La1 O32 145.3(6) 8_565 . ? O3 La1 O32 86.0(7) 5 . ? O20 La1 O32 69.3(6) . . ? O11 La1 O29 75.7(5) 8_565 . ? O3 La1 O29 71.0(5) 5 . ? O20 La1 O29 123.4(5) . . ? O32 La1 O29 70.1(6) . . ? O11 La1 O31 129.1(6) 8_565 . ? O3 La1 O31 71.1(6) 5 . ? O20 La1 O31 72.4(6) . . ? O32 La1 O31 70.7(8) . . ? O29 La1 O31 126.4(7) . . ? O11 La1 O30 85.7(5) 8_565 . ? O3 La1 O30 138.1(5) 5 . ? O20 La1 O30 72.3(5) . . ? O32 La1 O30 87.0(7) . . ? O29 La1 O30 67.8(5) . . ? O31 La1 O30 143.1(6) . . ? O11 La1 O28 79.9(6) 8_565 . ? O3 La1 O28 98.7(6) 5 . ? O20 La1 O28 79.1(6) . . ? O32 La1 O28 133.1(7) . . ? O29 La1 O28 155.1(6) . . ? O31 La1 O28 67.1(7) . . ? O30 La1 O28 115.7(6) . . ? O11 La1 O27 67.8(5) 8_565 . ? O3 La1 O27 134.0(6) 5 . ? O20 La1 O27 71.9(5) . . ? O32 La1 O27 139.0(6) . . ? O29 La1 O27 124.2(5) . . ? O31 La1 O27 109.4(6) . . ? O30 La1 O27 68.8(5) . . ? O28 La1 O27 47.7(6) . . ? O23 La2A O33 115.4(9) . 6_556 ? O23 La2A O37A 145.6(12) . . ? O33 La2A O37A 95.1(10) 6_556 . ? O23 La2A O36A 69.5(10) . . ? O33 La2A O36A 77.9(10) 6_556 . ? O37A La2A O36A 136.3(13) . . ? O23 La2A O34A 102.5(11) . . ? O33 La2A O34A 73.7(12) 6_556 . ? O37A La2A O34A 69.8(14) . . ? O36A La2A O34A 143.2(14) . . ? O23 La2A O33 125.1(7) . . ? O33 La2A O33 78.9(11) 6_556 . ? O37A La2A O33 74.1(11) . . ? O36A La2A O33 62.2(11) . . ? O34A La2A O33 131.8(12) . . ? O23 La2A O35A 56.3(12) . . ? O33 La2A O35A 63.0(12) 6_556 . ? O37A La2A O35A 137.8(14) . . ? O36A La2A O35A 77.2(14) . . ? O34A La2A O35A 69.4(15) . . ? O33 La2A O35A 129.1(12) . . ? O23 La2A O38A 80.3(9) . . ? O33 La2A O38A 146.8(9) 6_556 . ? O37A La2A O38A 82.4(11) . . ? O36A La2A O38A 81.4(11) . . ? O34A La2A O38A 134.0(12) . . ? O33 La2A O38A 68.6(8) . . ? O35A La2A O38A 136.0(12) . . ? O64A La3A O65A 94(2) 8 . ? O64A La3A O14 71(2) 8 . ? O65A La3A O14 70.4(14) . . ? O64A La3A O64A 69(3) 8 . ? O65A La3A O64A 137(2) . . ? O14 La3A O64A 66.9(14) . . ? O64A La3A O63A 130(2) 8 2_545 ? O65A La3A O63A 86.2(16) . 2_545 ? O14 La3A O63A 61.5(10) . 2_545 ? O64A La3A O63A 77.4(17) . 2_545 ? O64A La3A La3A 55(2) 8 8 ? O65A La3A La3A 148.2(14) . 8 ? O14 La3A La3A 93.5(5) . 8 ? O64A La3A La3A 35.2(14) . 8 ? O63A La3A La3A 110.5(10) 2_545 8 ? La3C La3C O7 136.3(7) 8_665 . ? O8 La3D O7 48.6(8) . . ? O8 La3D La3D 125.1(8) . 8_665 ? O7 La3D La3D 97.4(7) . 8_665 ? C18 La3D La3D 112.9(10) . 8_665 ? O7 La3E La3E 123.3(8) . 8_665 ? C61 O27 La1 98.4(19) . . ? C61 O28 La1 97.8(15) . . ? O27 C61 O28 116(3) . . ? O27 C61 C62 125(3) . . ? O28 C61 C62 119(3) . . ? O27 C61 La1 58.0(15) . . ? O28 C61 La1 58.0(14) . . ? C62 C61 La1 177(3) . . ? C61 C62 H109 109.5 . . ? C61 C62 H110 109.5 . . ? H109 C62 H110 109.5 . . ? C61 C62 H111 109.5 . . ? H109 C62 H111 109.5 . . ? H110 C62 H111 109.5 . . ? La2A O33 La2A 55.1(5) 6_556 . ? La3A O64A La3A 90(2) 8 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag S5 Ag2 Ag3 S6 5.72(17) . . . . ? S2 Ag2 Ag3 S6 146.77(19) . . . . ? S3 Ag2 Ag3 S6 -131.1(2) . . . . ? Cl1 Ag2 Ag3 S6 -86.71(16) . . . . ? S5 Ag2 Ag3 S2 -141.1(2) . . . . ? S3 Ag2 Ag3 S2 82.1(3) . . . . ? Cl1 Ag2 Ag3 S2 126.52(19) . . . . ? S5 Ag2 Ag3 S7 127.8(2) . . . . ? S2 Ag2 Ag3 S7 -91.1(2) . . . . ? S3 Ag2 Ag3 S7 -9.0(3) . . . . ? Cl1 Ag2 Ag3 S7 35.38(18) . . . . ? S5 Ag2 Ag3 Cl1 92.43(17) . . . . ? S2 Ag2 Ag3 Cl1 -126.52(19) . . . . ? S3 Ag2 Ag3 Cl1 -44.4(2) . . . . ? S3 Ag1 Ag4 S9 130.6(2) . . . . ? S10 Ag1 Ag4 S9 1.97(17) . . . . ? S1 Ag1 Ag4 S9 -135.90(19) . . . . ? Cl1 Ag1 Ag4 S9 92.71(17) . . . . ? S3 Ag1 Ag4 S7 -8.3(3) . . . . ? S10 Ag1 Ag4 S7 -136.9(2) . . . . ? S1 Ag1 Ag4 S7 85.2(2) . . . . ? Cl1 Ag1 Ag4 S7 -46.2(2) . . . . ? S3 Ag1 Ag4 S1 -93.5(2) . . . . ? S10 Ag1 Ag4 S1 137.88(19) . . . . ? Cl1 Ag1 Ag4 S1 -131.39(18) . . . . ? S3 Ag1 Ag4 Cl1 37.9(2) . . . . ? S10 Ag1 Ag4 Cl1 -90.74(16) . . . . ? S1 Ag1 Ag4 Cl1 131.39(18) . . . . ? S8 Ag7 Cl1 Ag5 94.2(2) . . . . ? S6 Ag7 Cl1 Ag5 -141.47(19) . . . . ? S12 Ag7 Cl1 Ag5 -26.2(2) . . . . ? S8 Ag7 Cl1 Ag4 -26.20(18) . . . . ? S6 Ag7 Cl1 Ag4 98.10(18) . . . . ? S12 Ag7 Cl1 Ag4 -146.60(18) . . . . ? S8 Ag7 Cl1 Ag2 -144.57(18) . . . . ? S6 Ag7 Cl1 Ag2 -20.3(2) . . . . ? S12 Ag7 Cl1 Ag2 95.04(19) . . . . ? S8 Ag7 Cl1 Ag3 -91.62(13) . . . . ? S6 Ag7 Cl1 Ag3 32.68(13) . . . . ? S12 Ag7 Cl1 Ag3 147.98(14) . . . . ? S8 Ag7 Cl1 Ag6 152.24(13) . . . . ? S6 Ag7 Cl1 Ag6 -83.46(13) . . . . ? S12 Ag7 Cl1 Ag6 31.84(13) . . . . ? S8 Ag7 Cl1 Ag8 34.25(13) . . . . ? S6 Ag7 Cl1 Ag8 158.55(13) . . . . ? S12 Ag7 Cl1 Ag8 -86.15(13) . . . . ? S4 Ag5 Cl1 Ag7 94.6(2) . . . . ? S11 Ag5 Cl1 Ag7 -28.7(2) . . . . ? S10 Ag5 Cl1 Ag7 -142.63(19) . . . . ? S4 Ag5 Cl1 Ag4 -145.98(17) . . . . ? S11 Ag5 Cl1 Ag4 90.62(17) . . . . ? S10 Ag5 Cl1 Ag4 -23.26(17) . . . . ? S4 Ag5 Cl1 Ag2 -25.8(2) . . . . ? S11 Ag5 Cl1 Ag2 -149.24(18) . . . . ? S10 Ag5 Cl1 Ag2 96.88(18) . . . . ? S4 Ag5 Cl1 Ag1 -88.15(15) . . . . ? S11 Ag5 Cl1 Ag1 148.46(14) . . . . ? S10 Ag5 Cl1 Ag1 34.58(13) . . . . ? S4 Ag5 Cl1 Ag6 33.94(13) . . . . ? S11 Ag5 Cl1 Ag6 -89.46(13) . . . . ? S10 Ag5 Cl1 Ag6 156.66(12) . . . . ? S4 Ag5 Cl1 Ag8 152.64(14) . . . . ? S11 Ag5 Cl1 Ag8 29.24(13) . . . . ? S10 Ag5 Cl1 Ag8 -84.64(12) . . . . ? S9 Ag4 Cl1 Ag7 89.02(17) . . . . ? S7 Ag4 Cl1 Ag7 -30.66(18) . . . . ? S1 Ag4 Cl1 Ag7 -146.59(17) . . . . ? Ag1 Ag4 Cl1 Ag7 179.3(2) . . . . ? S9 Ag4 Cl1 Ag5 -31.29(17) . . . . ? S7 Ag4 Cl1 Ag5 -150.97(17) . . . . ? S1 Ag4 Cl1 Ag5 93.10(17) . . . . ? Ag1 Ag4 Cl1 Ag5 58.96(12) . . . . ? S9 Ag4 Cl1 Ag2 -152.37(16) . . . . ? S7 Ag4 Cl1 Ag2 87.95(17) . . . . ? S1 Ag4 Cl1 Ag2 -27.98(18) . . . . ? Ag1 Ag4 Cl1 Ag2 -62.13(12) . . . . ? S9 Ag4 Cl1 Ag1 -90.24(13) . . . . ? S7 Ag4 Cl1 Ag1 150.07(13) . . . . ? S1 Ag4 Cl1 Ag1 34.15(13) . . . . ? S9 Ag4 Cl1 Ag3 151.67(12) . . . . ? S7 Ag4 Cl1 Ag3 31.98(12) . . . . ? S1 Ag4 Cl1 Ag3 -83.94(13) . . . . ? Ag1 Ag4 Cl1 Ag3 -118.09(11) . . . . ? S9 Ag4 Cl1 Ag8 30.36(12) . . . . ? S7 Ag4 Cl1 Ag8 -89.33(12) . . . . ? S1 Ag4 Cl1 Ag8 154.75(12) . . . . ? Ag1 Ag4 Cl1 Ag8 120.60(11) . . . . ? S5 Ag2 Cl1 Ag7 -33.3(2) . . . . ? S2 Ag2 Cl1 Ag7 94.37(19) . . . . ? S3 Ag2 Cl1 Ag7 -148.97(19) . . . . ? Ag3 Ag2 Cl1 Ag7 56.13(13) . . . . ? S5 Ag2 Cl1 Ag5 87.61(19) . . . . ? S2 Ag2 Cl1 Ag5 -144.68(18) . . . . ? S3 Ag2 Cl1 Ag5 -28.03(19) . . . . ? Ag3 Ag2 Cl1 Ag5 177.1(2) . . . . ? S5 Ag2 Cl1 Ag4 -151.45(18) . . . . ? S2 Ag2 Cl1 Ag4 -23.74(18) . . . . ? S3 Ag2 Cl1 Ag4 92.91(18) . . . . ? Ag3 Ag2 Cl1 Ag4 -61.98(13) . . . . ? S5 Ag2 Cl1 Ag1 148.77(15) . . . . ? S2 Ag2 Cl1 Ag1 -83.52(13) . . . . ? S3 Ag2 Cl1 Ag1 33.14(14) . . . . ? Ag3 Ag2 Cl1 Ag1 -121.76(12) . . . . ? S5 Ag2 Cl1 Ag3 -89.47(14) . . . . ? S2 Ag2 Cl1 Ag3 38.24(13) . . . . ? S3 Ag2 Cl1 Ag3 154.89(14) . . . . ? S5 Ag2 Cl1 Ag6 30.18(14) . . . . ? S2 Ag2 Cl1 Ag6 157.89(12) . . . . ? S3 Ag2 Cl1 Ag6 -85.46(13) . . . . ? Ag3 Ag2 Cl1 Ag6 119.65(10) . . . . ? S3 Ag1 Cl1 Ag5 85.54(14) . . . . ? S10 Ag1 Cl1 Ag5 -35.72(14) . . . . ? S1 Ag1 Cl1 Ag5 -156.52(14) . . . . ? Ag4 Ag1 Cl1 Ag5 -121.61(14) . . . . ? S3 Ag1 Cl1 Ag4 -152.84(14) . . . . ? S10 Ag1 Cl1 Ag4 85.89(14) . . . . ? S1 Ag1 Cl1 Ag4 -34.91(13) . . . . ? S3 Ag1 Cl1 Ag2 -34.07(14) . . . . ? S10 Ag1 Cl1 Ag2 -155.33(15) . . . . ? S1 Ag1 Cl1 Ag2 83.87(14) . . . . ? Ag4 Ag1 Cl1 Ag2 118.78(13) . . . . ? S3 Ag1 Cl1 Ag3 -88.62(18) . . . . ? S10 Ag1 Cl1 Ag3 150.11(18) . . . . ? S1 Ag1 Cl1 Ag3 29.31(18) . . . . ? Ag4 Ag1 Cl1 Ag3 64.22(13) . . . . ? S3 Ag1 Cl1 Ag6 28.73(16) . . . . ? S10 Ag1 Cl1 Ag6 -92.54(17) . . . . ? S1 Ag1 Cl1 Ag6 146.66(16) . . . . ? Ag4 Ag1 Cl1 Ag6 -178.43(19) . . . . ? S3 Ag1 Cl1 Ag8 147.19(17) . . . . ? S10 Ag1 Cl1 Ag8 25.93(17) . . . . ? S1 Ag1 Cl1 Ag8 -94.88(17) . . . . ? Ag4 Ag1 Cl1 Ag8 -59.97(12) . . . . ? S6 Ag3 Cl1 Ag7 -33.53(14) . . . . ? S2 Ag3 Cl1 Ag7 -161.56(16) . . . . ? S7 Ag3 Cl1 Ag7 84.16(14) . . . . ? Ag2 Ag3 Cl1 Ag7 -123.61(15) . . . . ? S6 Ag3 Cl1 Ag4 -150.01(14) . . . . ? S2 Ag3 Cl1 Ag4 81.95(15) . . . . ? S7 Ag3 Cl1 Ag4 -32.33(12) . . . . ? Ag2 Ag3 Cl1 Ag4 119.91(12) . . . . ? S6 Ag3 Cl1 Ag2 90.08(14) . . . . ? S2 Ag3 Cl1 Ag2 -37.96(15) . . . . ? S7 Ag3 Cl1 Ag2 -152.23(14) . . . . ? S6 Ag3 Cl1 Ag1 149.33(19) . . . . ? S2 Ag3 Cl1 Ag1 21.30(19) . . . . ? S7 Ag3 Cl1 Ag1 -92.98(18) . . . . ? Ag2 Ag3 Cl1 Ag1 59.26(12) . . . . ? S6 Ag3 Cl1 Ag6 30.16(15) . . . . ? S2 Ag3 Cl1 Ag6 -97.87(16) . . . . ? S7 Ag3 Cl1 Ag6 147.85(15) . . . . ? Ag2 Ag3 Cl1 Ag6 -59.92(11) . . . . ? S6 Ag3 Cl1 Ag8 -88.48(17) . . . . ? S2 Ag3 Cl1 Ag8 143.49(18) . . . . ? S7 Ag3 Cl1 Ag8 29.21(16) . . . . ? Ag2 Ag3 Cl1 Ag8 -178.6(2) . . . . ? S12 Ag6 Cl1 Ag7 -33.39(13) . . . . ? S4 Ag6 Cl1 Ag7 -155.11(16) . . . . ? S5 Ag6 Cl1 Ag7 87.44(15) . . . . ? S12 Ag6 Cl1 Ag5 87.37(14) . . . . ? S4 Ag6 Cl1 Ag5 -34.35(14) . . . . ? S5 Ag6 Cl1 Ag5 -151.81(15) . . . . ? S12 Ag6 Cl1 Ag2 -151.00(15) . . . . ? S4 Ag6 Cl1 Ag2 87.28(15) . . . . ? S5 Ag6 Cl1 Ag2 -30.18(13) . . . . ? S12 Ag6 Cl1 Ag1 145.81(19) . . . . ? S4 Ag6 Cl1 Ag1 24.09(17) . . . . ? S5 Ag6 Cl1 Ag1 -93.37(17) . . . . ? S12 Ag6 Cl1 Ag3 -95.60(16) . . . . ? S4 Ag6 Cl1 Ag3 142.68(17) . . . . ? S5 Ag6 Cl1 Ag3 25.22(15) . . . . ? S12 Ag6 Cl1 Ag8 26.28(15) . . . . ? S4 Ag6 Cl1 Ag8 -95.44(17) . . . . ? S5 Ag6 Cl1 Ag8 147.10(17) . . . . ? S11 Ag8 Cl1 Ag7 90.91(14) . . . . ? S8 Ag8 Cl1 Ag7 -34.52(14) . . . . ? S9 Ag8 Cl1 Ag7 -150.17(16) . . . . ? S11 Ag8 Cl1 Ag5 -30.13(13) . . . . ? S8 Ag8 Cl1 Ag5 -155.55(16) . . . . ? S9 Ag8 Cl1 Ag5 88.79(15) . . . . ? S11 Ag8 Cl1 Ag4 -149.70(14) . . . . ? S8 Ag8 Cl1 Ag4 84.88(14) . . . . ? S9 Ag8 Cl1 Ag4 -30.78(13) . . . . ? S11 Ag8 Cl1 Ag1 -91.19(17) . . . . ? S8 Ag8 Cl1 Ag1 143.39(19) . . . . ? S9 Ag8 Cl1 Ag1 27.73(17) . . . . ? S11 Ag8 Cl1 Ag3 146.86(18) . . . . ? S8 Ag8 Cl1 Ag3 21.44(17) . . . . ? S9 Ag8 Cl1 Ag3 -94.22(19) . . . . ? S11 Ag8 Cl1 Ag6 28.63(14) . . . . ? S8 Ag8 Cl1 Ag6 -96.79(16) . . . . ? S9 Ag8 Cl1 Ag6 147.55(17) . . . . ? N1 Ni1 S1 C1 6.5(8) . . . . ? S2 Ni1 S1 C1 -178.9(6) . . . . ? N1 Ni1 S1 Ag1 -127.1(6) . . . . ? S2 Ni1 S1 Ag1 47.4(3) . . . . ? N1 Ni1 S1 Ag4 129.9(6) . . . . ? S2 Ni1 S1 Ag4 -55.6(3) . . . . ? S3 Ag1 S1 C1 -126.2(7) . . . . ? S10 Ag1 S1 C1 59.5(7) . . . . ? Cl1 Ag1 S1 C1 147.5(7) . . . . ? Ag4 Ag1 S1 C1 110.6(7) . . . . ? S3 Ag1 S1 Ni1 2.0(3) . . . . ? S10 Ag1 S1 Ni1 -172.3(2) . . . . ? Cl1 Ag1 S1 Ni1 -84.3(3) . . . . ? Ag4 Ag1 S1 Ni1 -121.2(3) . . . . ? S3 Ag1 S1 Ag4 123.13(16) . . . . ? S10 Ag1 S1 Ag4 -51.11(19) . . . . ? Cl1 Ag1 S1 Ag4 36.83(14) . . . . ? S9 Ag4 S1 C1 -57.2(8) . . . . ? S7 Ag4 S1 C1 115.8(8) . . . . ? Cl1 Ag4 S1 C1 -153.8(8) . . . . ? Ag1 Ag4 S1 C1 -114.2(8) . . . . ? S9 Ag4 S1 Ni1 -175.0(2) . . . . ? S7 Ag4 S1 Ni1 -2.0(3) . . . . ? Cl1 Ag4 S1 Ni1 88.4(3) . . . . ? Ag1 Ag4 S1 Ni1 128.0(3) . . . . ? S9 Ag4 S1 Ag1 57.0(2) . . . . ? S7 Ag4 S1 Ag1 -130.01(17) . . . . ? Cl1 Ag4 S1 Ag1 -39.63(14) . . . . ? N2 Ni1 S2 C6 15.7(9) . . . . ? S1 Ni1 S2 C6 -166.7(7) . . . . ? N2 Ni1 S2 Ag2 142.2(5) . . . . ? S1 Ni1 S2 Ag2 -40.3(3) . . . . ? N2 Ni1 S2 Ag3 -115.5(5) . . . . ? S1 Ni1 S2 Ag3 62.0(3) . . . . ? S5 Ag2 S2 C6 -62.2(7) . . . . ? S3 Ag2 S2 C6 108.0(7) . . . . ? Cl1 Ag2 S2 C6 -160.1(7) . . . . ? Ag3 Ag2 S2 C6 -114.2(7) . . . . ? S5 Ag2 S2 Ni1 175.4(2) . . . . ? S3 Ag2 S2 Ni1 -14.4(3) . . . . ? Cl1 Ag2 S2 Ni1 77.6(3) . . . . ? Ag3 Ag2 S2 Ni1 123.4(3) . . . . ? S5 Ag2 S2 Ag3 52.0(2) . . . . ? S3 Ag2 S2 Ag3 -137.81(15) . . . . ? Cl1 Ag2 S2 Ag3 -45.82(15) . . . . ? S6 Ag3 S2 C6 64.8(9) . . . . ? S7 Ag3 S2 C6 -131.7(8) . . . . ? Cl1 Ag3 S2 C6 148.4(8) . . . . ? Ag2 Ag3 S2 C6 108.7(9) . . . . ? S6 Ag3 S2 Ni1 -170.4(2) . . . . ? S7 Ag3 S2 Ni1 -6.9(3) . . . . ? Cl1 Ag3 S2 Ni1 -86.8(3) . . . . ? Ag2 Ag3 S2 Ni1 -126.5(3) . . . . ? S6 Ag3 S2 Ag2 -43.8(2) . . . . ? S7 Ag3 S2 Ag2 119.67(17) . . . . ? Cl1 Ag3 S2 Ag2 39.73(14) . . . . ? N3 Ni2 S3 C11 12.5(10) . . . . ? S4 Ni2 S3 C11 -174.4(8) . . . . ? N3 Ni2 S3 Ag1 -109.1(6) . . . . ? S4 Ni2 S3 Ag1 64.1(3) . . . . ? N3 Ni2 S3 Ag2 139.8(6) . . . . ? S4 Ni2 S3 Ag2 -47.0(3) . . . . ? S10 Ag1 S3 C11 -124.5(7) . . . . ? S1 Ag1 S3 C11 61.3(7) . . . . ? Cl1 Ag1 S3 C11 150.3(7) . . . . ? Ag4 Ag1 S3 C11 120.8(7) . . . . ? S10 Ag1 S3 Ni2 -8.4(3) . . . . ? S1 Ag1 S3 Ni2 177.3(2) . . . . ? Cl1 Ag1 S3 Ni2 -93.7(2) . . . . ? Ag4 Ag1 S3 Ni2 -123.2(2) . . . . ? S10 Ag1 S3 Ag2 122.27(16) . . . . ? S1 Ag1 S3 Ag2 -51.97(19) . . . . ? Cl1 Ag1 S3 Ag2 37.00(14) . . . . ? Ag4 Ag1 S3 Ag2 7.5(2) . . . . ? S5 Ag2 S3 C11 116.3(9) . . . . ? S2 Ag2 S3 C11 -55.1(10) . . . . ? Cl1 Ag2 S3 C11 -151.5(9) . . . . ? Ag3 Ag2 S3 C11 -113.1(9) . . . . ? S5 Ag2 S3 Ni2 -5.9(3) . . . . ? S2 Ag2 S3 Ni2 -177.3(2) . . . . ? Cl1 Ag2 S3 Ni2 86.3(3) . . . . ? Ag3 Ag2 S3 Ni2 124.7(2) . . . . ? S5 Ag2 S3 Ag1 -131.75(17) . . . . ? S2 Ag2 S3 Ag1 56.9(2) . . . . ? Cl1 Ag2 S3 Ag1 -39.49(15) . . . . ? Ag3 Ag2 S3 Ag1 -1.1(3) . . . . ? N4 Ni2 S4 C16 17.1(11) . . . . ? S3 Ni2 S4 C16 -169.3(10) . . . . ? N4 Ni2 S4 Ag5 132.4(6) . . . . ? S3 Ni2 S4 Ag5 -54.0(3) . . . . ? N4 Ni2 S4 Ag6 -114.1(6) . . . . ? S3 Ni2 S4 Ag6 59.6(3) . . . . ? S11 Ag5 S4 C16 -65.6(9) . . . . ? S10 Ag5 S4 C16 104.6(9) . . . . ? Cl1 Ag5 S4 C16 -161.8(9) . . . . ? S11 Ag5 S4 Ni2 -177.1(2) . . . . ? S10 Ag5 S4 Ni2 -6.9(4) . . . . ? Cl1 Ag5 S4 Ni2 86.7(3) . . . . ? S11 Ag5 S4 Ag6 50.1(2) . . . . ? S10 Ag5 S4 Ag6 -139.69(17) . . . . ? Cl1 Ag5 S4 Ag6 -46.11(16) . . . . ? S12 Ag6 S4 C16 76.7(10) . . . . ? O25 Ag6 S4 C16 -35.9(12) . . . . ? S5 Ag6 S4 C16 -142.7(10) . . . . ? Cl1 Ag6 S4 C16 145.7(10) . . . . ? S12 Ag6 S4 Ni2 -157.4(3) . . . . ? O25 Ag6 S4 Ni2 89.9(8) . . . . ? S5 Ag6 S4 Ni2 -16.9(4) . . . . ? Cl1 Ag6 S4 Ni2 -88.5(3) . . . . ? S12 Ag6 S4 Ag5 -32.7(2) . . . . ? O25 Ag6 S4 Ag5 -145.3(7) . . . . ? S5 Ag6 S4 Ag5 107.86(19) . . . . ? Cl1 Ag6 S4 Ag5 36.26(13) . . . . ? N5 Ni3 S5 C21 15.6(10) . . . . ? S6 Ni3 S5 C21 -169.2(8) . . . . ? N5 Ni3 S5 Ag2 136.8(7) . . . . ? S6 Ni3 S5 Ag2 -48.0(3) . . . . ? N5 Ni3 S5 Ag6 -103.7(7) . . . . ? S6 Ni3 S5 Ag6 71.5(3) . . . . ? S2 Ag2 S5 C21 104.5(8) . . . . ? S3 Ag2 S5 C21 -65.8(9) . . . . ? Cl1 Ag2 S5 C21 -155.9(8) . . . . ? Ag3 Ag2 S5 C21 141.6(8) . . . . ? S2 Ag2 S5 Ni3 -11.1(4) . . . . ? S3 Ag2 S5 Ni3 178.6(2) . . . . ? Cl1 Ag2 S5 Ni3 88.6(3) . . . . ? Ag3 Ag2 S5 Ni3 26.0(3) . . . . ? S2 Ag2 S5 Ag6 -141.10(18) . . . . ? S3 Ag2 S5 Ag6 48.6(2) . . . . ? Cl1 Ag2 S5 Ag6 -41.47(17) . . . . ? Ag3 Ag2 S5 Ag6 -103.99(14) . . . . ? S12 Ag6 S5 C21 -143.3(8) . . . . ? S4 Ag6 S5 C21 75.5(9) . . . . ? O25 Ag6 S5 C21 -29.3(12) . . . . ? Cl1 Ag6 S5 C21 148.5(9) . . . . ? S12 Ag6 S5 Ni3 -29.5(3) . . . . ? S4 Ag6 S5 Ni3 -170.7(2) . . . . ? O25 Ag6 S5 Ni3 84.6(8) . . . . ? Cl1 Ag6 S5 Ni3 -97.7(3) . . . . ? S12 Ag6 S5 Ag2 101.7(2) . . . . ? S4 Ag6 S5 Ag2 -39.5(2) . . . . ? O25 Ag6 S5 Ag2 -144.3(8) . . . . ? Cl1 Ag6 S5 Ag2 33.47(14) . . . . ? N6 Ni3 S6 C26 3.7(8) . . . . ? S5 Ni3 S6 C26 -179.7(6) . . . . ? N6 Ni3 S6 Ag3 -120.8(6) . . . . ? S5 Ni3 S6 Ag3 55.8(3) . . . . ? N6 Ni3 S6 Ag7 131.9(6) . . . . ? S5 Ni3 S6 Ag7 -51.5(3) . . . . ? S2 Ag3 S6 C26 -124.9(7) . . . . ? S7 Ag3 S6 C26 72.0(7) . . . . ? Cl1 Ag3 S6 C26 150.4(6) . . . . ? Ag2 Ag3 S6 C26 -156.9(6) . . . . ? S2 Ag3 S6 Ni3 -6.7(3) . . . . ? S7 Ag3 S6 Ni3 -169.8(2) . . . . ? Cl1 Ag3 S6 Ni3 -91.5(2) . . . . ? Ag2 Ag3 S6 Ni3 -38.8(2) . . . . ? S2 Ag3 S6 Ag7 119.55(19) . . . . ? S7 Ag3 S6 Ag7 -43.54(19) . . . . ? Cl1 Ag3 S6 Ag7 34.81(13) . . . . ? Ag2 Ag3 S6 Ag7 87.53(11) . . . . ? S8 Ag7 S6 C26 -56.0(7) . . . . ? S12 Ag7 S6 C26 112.6(7) . . . . ? Cl1 Ag7 S6 C26 -154.6(7) . . . . ? S8 Ag7 S6 Ni3 -177.7(2) . . . . ? S12 Ag7 S6 Ni3 -9.1(3) . . . . ? Cl1 Ag7 S6 Ni3 83.7(2) . . . . ? S8 Ag7 S6 Ag3 57.9(2) . . . . ? S12 Ag7 S6 Ag3 -133.47(15) . . . . ? Cl1 Ag7 S6 Ag3 -40.70(16) . . . . ? N7 Ni4 S7 C31 13.9(7) . . . . ? S8 Ni4 S7 C31 -174.7(6) . . . . ? N7 Ni4 S7 Ag4 132.4(6) . . . . ? S8 Ni4 S7 Ag4 -56.2(3) . . . . ? N7 Ni4 S7 Ag3 -111.4(6) . . . . ? S8 Ni4 S7 Ag3 60.0(3) . . . . ? S9 Ag4 S7 C31 112.5(6) . . . . ? S1 Ag4 S7 C31 -60.8(7) . . . . ? Cl1 Ag4 S7 C31 -154.4(6) . . . . ? Ag1 Ag4 S7 C31 -116.7(6) . . . . ? S9 Ag4 S7 Ni4 0.7(3) . . . . ? S1 Ag4 S7 Ni4 -172.7(2) . . . . ? Cl1 Ag4 S7 Ni4 93.8(2) . . . . ? Ag1 Ag4 S7 Ni4 131.51(19) . . . . ? S9 Ag4 S7 Ag3 -133.07(18) . . . . ? S1 Ag4 S7 Ag3 53.6(2) . . . . ? Cl1 Ag4 S7 Ag3 -39.98(15) . . . . ? Ag1 Ag4 S7 Ag3 -2.2(2) . . . . ? S6 Ag3 S7 C31 -130.0(6) . . . . ? S2 Ag3 S7 C31 64.5(6) . . . . ? Cl1 Ag3 S7 C31 148.9(6) . . . . ? Ag2 Ag3 S7 C31 121.2(6) . . . . ? S6 Ag3 S7 Ni4 -10.3(3) . . . . ? S2 Ag3 S7 Ni4 -175.8(2) . . . . ? Cl1 Ag3 S7 Ni4 -91.4(3) . . . . ? Ag2 Ag3 S7 Ni4 -119.1(2) . . . . ? S6 Ag3 S7 Ag4 116.53(17) . . . . ? S2 Ag3 S7 Ag4 -48.9(2) . . . . ? Cl1 Ag3 S7 Ag4 35.48(13) . . . . ? Ag2 Ag3 S7 Ag4 7.7(2) . . . . ? N8 Ni4 S8 C36 15.5(8) . . . . ? S7 Ni4 S8 C36 -167.5(6) . . . . ? N8 Ni4 S8 Ag7 138.4(6) . . . . ? S7 Ni4 S8 Ag7 -44.6(3) . . . . ? N8 Ni4 S8 Ag8 -106.9(6) . . . . ? S7 Ni4 S8 Ag8 70.2(3) . . . . ? S6 Ag7 S8 C36 101.3(7) . . . . ? S12 Ag7 S8 C36 -66.8(7) . . . . ? Cl1 Ag7 S8 C36 -160.7(6) . . . . ? S6 Ag7 S8 Ni4 -14.1(3) . . . . ? S12 Ag7 S8 Ni4 177.8(2) . . . . ? Cl1 Ag7 S8 Ni4 83.9(2) . . . . ? S6 Ag7 S8 Ag8 -145.38(16) . . . . ? S12 Ag7 S8 Ag8 46.6(2) . . . . ? Cl1 Ag7 S8 Ag8 -47.33(16) . . . . ? S11 Ag8 S8 C36 84.5(7) . . . . ? S9 Ag8 S8 C36 -136.6(7) . . . . ? Cl1 Ag8 S8 C36 151.9(7) . . . . ? S11 Ag8 S8 Ni4 -158.5(2) . . . . ? S9 Ag8 S8 Ni4 -19.5(3) . . . . ? Cl1 Ag8 S8 Ni4 -91.0(2) . . . . ? S11 Ag8 S8 Ag7 -31.5(2) . . . . ? S9 Ag8 S8 Ag7 107.48(19) . . . . ? Cl1 Ag8 S8 Ag7 35.99(13) . . . . ? N9 Ni5 S9 C41 15.8(8) . . . . ? S10 Ni5 S9 C41 -170.9(6) . . . . ? N9 Ni5 S9 Ag4 137.8(6) . . . . ? S10 Ni5 S9 Ag4 -48.9(3) . . . . ? N9 Ni5 S9 Ag8 -105.6(6) . . . . ? S10 Ni5 S9 Ag8 67.7(3) . . . . ? S7 Ag4 S9 C41 -67.3(7) . . . . ? S1 Ag4 S9 C41 105.4(7) . . . . ? Cl1 Ag4 S9 C41 -157.7(7) . . . . ? Ag1 Ag4 S9 C41 144.2(7) . . . . ? S7 Ag4 S9 Ni5 177.4(2) . . . . ? S1 Ag4 S9 Ni5 -9.8(4) . . . . ? Cl1 Ag4 S9 Ni5 87.0(3) . . . . ? Ag1 Ag4 S9 Ni5 28.9(2) . . . . ? S7 Ag4 S9 Ag8 48.2(2) . . . . ? S1 Ag4 S9 Ag8 -139.08(18) . . . . ? Cl1 Ag4 S9 Ag8 -42.22(16) . . . . ? Ag1 Ag4 S9 Ag8 -100.30(14) . . . . ? S11 Ag8 S9 C41 -139.7(6) . . . . ? S8 Ag8 S9 C41 78.7(6) . . . . ? Cl1 Ag8 S9 C41 150.2(6) . . . . ? S11 Ag8 S9 Ni5 -23.6(3) . . . . ? S8 Ag8 S9 Ni5 -165.2(2) . . . . ? Cl1 Ag8 S9 Ni5 -93.7(2) . . . . ? S11 Ag8 S9 Ag4 103.42(19) . . . . ? S8 Ag8 S9 Ag4 -38.1(2) . . . . ? Cl1 Ag8 S9 Ag4 33.32(14) . . . . ? N10 Ni5 S10 C46 10.5(9) . . . . ? S9 Ni5 S10 C46 -178.1(7) . . . . ? N10 Ni5 S10 Ag1 -115.3(6) . . . . ? S9 Ni5 S10 Ag1 56.1(3) . . . . ? N10 Ni5 S10 Ag5 137.1(6) . . . . ? S9 Ni5 S10 Ag5 -51.5(3) . . . . ? S3 Ag1 S10 C46 66.7(8) . . . . ? S1 Ag1 S10 C46 -119.2(8) . . . . ? Cl1 Ag1 S10 C46 151.2(8) . . . . ? Ag4 Ag1 S10 C46 -155.8(8) . . . . ? S3 Ag1 S10 Ni5 -173.2(2) . . . . ? S1 Ag1 S10 Ni5 0.9(3) . . . . ? Cl1 Ag1 S10 Ni5 -88.7(2) . . . . ? Ag4 Ag1 S10 Ni5 -35.7(2) . . . . ? S3 Ag1 S10 Ag5 -46.4(2) . . . . ? S1 Ag1 S10 Ag5 127.64(16) . . . . ? Cl1 Ag1 S10 Ag5 38.01(14) . . . . ? Ag4 Ag1 S10 Ag5 91.08(10) . . . . ? S4 Ag5 S10 C46 -57.5(7) . . . . ? S11 Ag5 S10 C46 113.5(7) . . . . ? Cl1 Ag5 S10 C46 -153.3(7) . . . . ? S4 Ag5 S10 Ni5 -178.1(2) . . . . ? S11 Ag5 S10 Ni5 -7.0(3) . . . . ? Cl1 Ag5 S10 Ni5 86.1(3) . . . . ? S4 Ag5 S10 Ag1 54.9(2) . . . . ? S11 Ag5 S10 Ag1 -134.02(14) . . . . ? Cl1 Ag5 S10 Ag1 -40.88(14) . . . . ? N11 Ni6 S11 C51 13.0(8) . . . . ? S12 Ni6 S11 C51 -169.5(6) . . . . ? N11 Ni6 S11 Ag8 -108.9(5) . . . . ? S12 Ni6 S11 Ag8 68.6(2) . . . . ? N11 Ni6 S11 Ag5 132.9(5) . . . . ? S12 Ni6 S11 Ag5 -49.5(2) . . . . ? S8 Ag8 S11 C51 -144.4(6) . . . . ? S9 Ag8 S11 C51 77.7(6) . . . . ? Cl1 Ag8 S11 C51 148.0(6) . . . . ? S8 Ag8 S11 Ni6 -28.0(3) . . . . ? S9 Ag8 S11 Ni6 -165.8(2) . . . . ? Cl1 Ag8 S11 Ni6 -95.6(2) . . . . ? S8 Ag8 S11 Ag5 100.38(19) . . . . ? S9 Ag8 S11 Ag5 -37.5(2) . . . . ? Cl1 Ag8 S11 Ag5 32.80(13) . . . . ? S4 Ag5 S11 C51 105.1(7) . . . . ? S10 Ag5 S11 C51 -65.9(7) . . . . ? Cl1 Ag5 S11 C51 -157.6(7) . . . . ? S4 Ag5 S11 Ni6 -9.8(3) . . . . ? S10 Ag5 S11 Ni6 179.2(2) . . . . ? Cl1 Ag5 S11 Ni6 87.4(2) . . . . ? S4 Ag5 S11 Ag8 -138.73(19) . . . . ? S10 Ag5 S11 Ag8 50.3(2) . . . . ? Cl1 Ag5 S11 Ag8 -41.49(17) . . . . ? N12 Ni6 S12 C56 16.4(9) . . . . ? S11 Ni6 S12 C56 -167.0(7) . . . . ? N12 Ni6 S12 Ag6 -106.5(6) . . . . ? S11 Ni6 S12 Ag6 70.0(3) . . . . ? N12 Ni6 S12 Ag7 132.3(6) . . . . ? S11 Ni6 S12 Ag7 -51.1(3) . . . . ? S4 Ag6 S12 C56 -143.4(7) . . . . ? O25 Ag6 S12 C56 -34.9(12) . . . . ? S5 Ag6 S12 C56 76.8(7) . . . . ? Cl1 Ag6 S12 C56 145.7(7) . . . . ? S4 Ag6 S12 Ni6 -26.5(3) . . . . ? O25 Ag6 S12 Ni6 81.9(10) . . . . ? S5 Ag6 S12 Ni6 -166.3(2) . . . . ? Cl1 Ag6 S12 Ni6 -97.4(3) . . . . ? S4 Ag6 S12 Ag7 106.05(19) . . . . ? O25 Ag6 S12 Ag7 -145.5(10) . . . . ? S5 Ag6 S12 Ag7 -33.7(2) . . . . ? Cl1 Ag6 S12 Ag7 35.16(14) . . . . ? S8 Ag7 S12 C56 104.1(7) . . . . ? S6 Ag7 S12 C56 -65.0(7) . . . . ? Cl1 Ag7 S12 C56 -159.7(7) . . . . ? S8 Ag7 S12 Ni6 -8.0(3) . . . . ? S6 Ag7 S12 Ni6 -177.1(2) . . . . ? Cl1 Ag7 S12 Ni6 88.2(2) . . . . ? S8 Ag7 S12 Ag6 -141.02(16) . . . . ? S6 Ag7 S12 Ag6 49.9(2) . . . . ? Cl1 Ag7 S12 Ag6 -44.76(17) . . . . ? N2 Ni1 N1 C2 -162.8(15) . . . . ? S1 Ni1 N1 C2 20.1(14) . . . . ? N1 Ni1 N2 C7 -172.2(15) . . . . ? S2 Ni1 N2 C7 13.4(14) . . . . ? N4 Ni2 N3 C12 -169.1(16) . . . . ? S3 Ni2 N3 C12 17.6(15) . . . . ? N3 Ni2 N4 C17 -172.8(18) . . . . ? S4 Ni2 N4 C17 14.2(17) . . . . ? N6 Ni3 N5 C22 -178(2) . . . . ? S5 Ni3 N5 C22 5.0(19) . . . . ? N5 Ni3 N6 C27 -158.8(14) . . . . ? S6 Ni3 N6 C27 26.1(13) . . . . ? N8 Ni4 N7 C32 -173.2(14) . . . . ? S7 Ni4 N7 C32 10.0(13) . . . . ? N7 Ni4 N8 C37 -179.9(16) . . . . ? S8 Ni4 N8 C37 8.8(15) . . . . ? N10 Ni5 N9 C42 -176.9(19) . . . . ? S9 Ni5 N9 C42 12.1(18) . . . . ? N9 Ni5 N10 C47 -167.7(16) . . . . ? S10 Ni5 N10 C47 19.3(14) . . . . ? N12 Ni6 N11 C52 -168.5(14) . . . . ? S11 Ni6 N11 C52 15.0(13) . . . . ? N11 Ni6 N12 C57 -172.4(16) . . . . ? S12 Ni6 N12 C57 10.2(15) . . . . ? Ni1 S1 C1 C4 95.4(16) . . . . ? Ag1 S1 C1 C4 -124.5(15) . . . . ? Ag4 S1 C1 C4 -33.0(19) . . . . ? Ni1 S1 C1 C2 -30.2(14) . . . . ? Ag1 S1 C1 C2 109.9(14) . . . . ? Ag4 S1 C1 C2 -158.6(12) . . . . ? Ni1 S1 C1 C5 -145.1(16) . . . . ? Ag1 S1 C1 C5 -4.9(18) . . . . ? Ag4 S1 C1 C5 86.6(16) . . . . ? Ni1 N1 C2 C1 -46(2) . . . . ? Ni1 N1 C2 C3 -165.0(14) . . . . ? C4 C1 C2 N1 -77(2) . . . . ? C5 C1 C2 N1 162(2) . . . . ? S1 C1 C2 N1 46.6(19) . . . . ? C4 C1 C2 C3 41(3) . . . . ? C5 C1 C2 C3 -81(3) . . . . ? S1 C1 C2 C3 164.2(16) . . . . ? N1 C2 C3 O1 22(3) . . . . ? C1 C2 C3 O1 -97(2) . . . . ? N1 C2 C3 O2 -157.1(19) . . . . ? C1 C2 C3 O2 85(3) . . . . ? Ni1 S2 C6 C10 79.5(17) . . . . ? Ag2 S2 C6 C10 -56.2(17) . . . . ? Ag3 S2 C6 C10 -145.2(15) . . . . ? Ni1 S2 C6 C9 -152.1(15) . . . . ? Ag2 S2 C6 C9 72.2(17) . . . . ? Ag3 S2 C6 C9 -16.9(19) . . . . ? Ni1 S2 C6 C7 -39.5(12) . . . . ? Ag2 S2 C6 C7 -175.3(10) . . . . ? Ag3 S2 C6 C7 95.7(12) . . . . ? Ni1 N2 C7 C8 -157.1(14) . . . . ? Ni1 N2 C7 C6 -44.3(18) . . . . ? C10 C6 C7 N2 -63(2) . . . . ? C9 C6 C7 N2 162.7(18) . . . . ? S2 C6 C7 N2 51.9(16) . . . . ? C10 C6 C7 C8 49(2) . . . . ? C9 C6 C7 C8 -85(2) . . . . ? S2 C6 C7 C8 164.0(14) . . . . ? La1 O3 C8 O4 -8(5) 5_545 . . . ? La1 O3 C8 C7 165.9(17) 5_545 . . . ? N2 C7 C8 O3 10(3) . . . . ? C6 C7 C8 O3 -105(2) . . . . ? N2 C7 C8 O4 -177(2) . . . . ? C6 C7 C8 O4 69(3) . . . . ? Ni2 S3 C11 C14 80.4(15) . . . . ? Ag1 S3 C11 C14 -152.0(13) . . . . ? Ag2 S3 C11 C14 -55.3(17) . . . . ? Ni2 S3 C11 C15 -156.7(13) . . . . ? Ag1 S3 C11 C15 -29.2(16) . . . . ? Ag2 S3 C11 C15 67.6(16) . . . . ? Ni2 S3 C11 C12 -37.7(16) . . . . ? Ag1 S3 C11 C12 89.9(15) . . . . ? Ag2 S3 C11 C12 -173.4(12) . . . . ? Ni2 N3 C12 C11 -49(2) . . . . ? Ni2 N3 C12 C13 -167.4(15) . . . . ? C14 C11 C12 N3 -61(2) . . . . ? C15 C11 C12 N3 170.4(17) . . . . ? S3 C11 C12 N3 55(2) . . . . ? C14 C11 C12 C13 58(2) . . . . ? C15 C11 C12 C13 -71(2) . . . . ? S3 C11 C12 C13 173.5(15) . . . . ? N3 C12 C13 O5 19(3) . . . . ? C11 C12 C13 O5 -99(3) . . . . ? N3 C12 C13 O6 -153(2) . . . . ? C11 C12 C13 O6 89(3) . . . . ? Ni2 S4 C16 C20 80.3(19) . . . . ? Ag5 S4 C16 C20 -42(2) . . . . ? Ag6 S4 C16 C20 -141.0(17) . . . . ? Ni2 S4 C16 C19 -159(2) . . . . ? Ag5 S4 C16 C19 79(2) . . . . ? Ag6 S4 C16 C19 -20(2) . . . . ? Ni2 S4 C16 C17 -39.5(16) . . . . ? Ag5 S4 C16 C17 -161.5(13) . . . . ? Ag6 S4 C16 C17 99.2(14) . . . . ? Ni2 N4 C17 C18 -162(2) . . . . ? Ni2 N4 C17 C16 -45(2) . . . . ? C20 C16 C17 N4 -64(3) . . . . ? C19 C16 C17 N4 171(2) . . . . ? S4 C16 C17 N4 54(2) . . . . ? C20 C16 C17 C18 54(3) . . . . ? C19 C16 C17 C18 -71(3) . . . . ? S4 C16 C17 C18 172(2) . . . . ? La3C O7 C18 O8 -5(6) . . . . ? La3E O7 C18 O8 -2(7) . . . . ? La3D O7 C18 O8 -4(5) . . . . ? La3C O7 C18 C17 177(3) . . . . ? La3E O7 C18 C17 -179(2) . . . . ? La3D O7 C18 C17 178(4) . . . . ? La3C O7 C18 La3D -1.1(14) . . . . ? La3E O7 C18 La3D 2(3) . . . . ? La3D O8 C18 O7 5(6) . . . . ? La3D O8 C18 C17 -178(3) . . . . ? N4 C17 C18 O7 11(6) . . . . ? C16 C17 C18 O7 -107(5) . . . . ? N4 C17 C18 O8 -167(4) . . . . ? C16 C17 C18 O8 76(5) . . . . ? Ni3 S5 C21 C24 85.2(19) . . . . ? Ag2 S5 C21 C24 -43(2) . . . . ? Ag6 S5 C21 C24 -149.0(18) . . . . ? Ni3 S5 C21 C25 -163.8(18) . . . . ? Ag2 S5 C21 C25 68(2) . . . . ? Ag6 S5 C21 C25 -38(2) . . . . ? Ni3 S5 C21 C22 -31.8(16) . . . . ? Ag2 S5 C21 C22 -160.0(13) . . . . ? Ag6 S5 C21 C22 94.1(16) . . . . ? Ni3 N5 C22 C23A -153(3) . . . . ? Ni3 N5 C22 C21 -31(3) . . . . ? Ni3 N5 C22 C23B -160(2) . . . . ? C24 C21 C22 N5 -73(3) . . . . ? C25 C21 C22 N5 157(2) . . . . ? S5 C21 C22 N5 40(2) . . . . ? C24 C21 C22 C23A 68(3) . . . . ? C25 C21 C22 C23A -62(3) . . . . ? S5 C21 C22 C23A -179.1(18) . . . . ? C24 C21 C22 C23B 51(3) . . . . ? C25 C21 C22 C23B -79(3) . . . . ? S5 C21 C22 C23B 164(2) . . . . ? N5 C22 C23A O9A 0(6) . . . . ? C21 C22 C23A O9A -129(4) . . . . ? C23B C22 C23A O9A 15(5) . . . . ? N5 C22 C23A O10A -141(4) . . . . ? C21 C22 C23A O10A 89(5) . . . . ? C23B C22 C23A O10A -126(9) . . . . ? N5 C22 C23B O10B -156(5) . . . . ? C23A C22 C23B O10B 35(5) . . . . ? C21 C22 C23B O10B 75(6) . . . . ? N5 C22 C23B O9B 32(7) . . . . ? C23A C22 C23B O9B -137(10) . . . . ? C21 C22 C23B O9B -96(6) . . . . ? Ni3 S6 C26 C27 -31.3(13) . . . . ? Ag3 S6 C26 C27 98.1(12) . . . . ? Ag7 S6 C26 C27 -164.5(10) . . . . ? Ni3 S6 C26 C29 -152.0(14) . . . . ? Ag3 S6 C26 C29 -22.6(16) . . . . ? Ag7 S6 C26 C29 74.7(15) . . . . ? Ni3 S6 C26 C30 90.1(12) . . . . ? Ag3 S6 C26 C30 -140.5(11) . . . . ? Ag7 S6 C26 C30 -43.1(14) . . . . ? Ni3 N6 C27 C26 -53.5(18) . . . . ? Ni3 N6 C27 C28 -177.7(13) . . . . ? C29 C26 C27 N6 167.2(16) . . . . ? C30 C26 C27 N6 -67.7(19) . . . . ? S6 C26 C27 N6 51.9(17) . . . . ? C29 C26 C27 C28 -72(2) . . . . ? C30 C26 C27 C28 53(2) . . . . ? S6 C26 C27 C28 172.3(14) . . . . ? La1 O11 C28 O12 81(3) 8_655 . . . ? La1 O11 C28 C27 -95(3) 8_655 . . . ? N6 C27 C28 O11 7(3) . . . . ? C26 C27 C28 O11 -112(2) . . . . ? N6 C27 C28 O12 -169(2) . . . . ? C26 C27 C28 O12 72(3) . . . . ? Ni4 S7 C31 C32 -36.3(13) . . . . ? Ag4 S7 C31 C32 -159.5(12) . . . . ? Ag3 S7 C31 C32 98.8(13) . . . . ? Ni4 S7 C31 C34 78.8(12) . . . . ? Ag4 S7 C31 C34 -44.4(14) . . . . ? Ag3 S7 C31 C34 -146.2(11) . . . . ? Ni4 S7 C31 C35 -157.2(12) . . . . ? Ag4 S7 C31 C35 79.6(13) . . . . ? Ag3 S7 C31 C35 -22.2(14) . . . . ? C34 C31 C32 N7 -64(2) . . . . ? C35 C31 C32 N7 169.3(17) . . . . ? S7 C31 C32 N7 49.8(18) . . . . ? C34 C31 C32 C33 69(2) . . . . ? C35 C31 C32 C33 -57(2) . . . . ? S7 C31 C32 C33 -177.0(16) . . . . ? Ni4 N7 C32 C31 -39(2) . . . . ? Ni4 N7 C32 C33 -174.2(13) . . . . ? La3A O14 C33 O13 -58(4) . . . . ? La3A O14 C33 C32 124(3) . . . . ? C31 C32 C33 O14 73(3) . . . . ? N7 C32 C33 O14 -153.3(19) . . . . ? C31 C32 C33 O13 -105(2) . . . . ? N7 C32 C33 O13 28(2) . . . . ? Ni4 S8 C36 C40 -160.1(18) . . . . ? Ag7 S8 C36 C40 73.4(19) . . . . ? Ag8 S8 C36 C40 -28(2) . . . . ? Ni4 S8 C36 C37 -37.8(13) . . . . ? Ag7 S8 C36 C37 -164.3(11) . . . . ? Ag8 S8 C36 C37 94.0(12) . . . . ? Ni4 S8 C36 C39 80.8(14) . . . . ? Ag7 S8 C36 C39 -45.6(15) . . . . ? Ag8 S8 C36 C39 -147.4(13) . . . . ? Ni4 N8 C37 C36 -36(2) . . . . ? Ni4 N8 C37 C38 -161.5(14) . . . . ? C40 C36 C37 N8 165.3(18) . . . . ? C39 C36 C37 N8 -68(2) . . . . ? S8 C36 C37 N8 47.8(18) . . . . ? C40 C36 C37 C38 -74(2) . . . . ? C39 C36 C37 C38 52(2) . . . . ? S8 C36 C37 C38 168.0(14) . . . . ? N8 C37 C38 O15 25(3) . . . . ? C36 C37 C38 O15 -97(3) . . . . ? N8 C37 C38 O16 -164(2) . . . . ? C36 C37 C38 O16 74(3) . . . . ? Ni5 S9 C41 C45 -162.1(14) . . . . ? Ag4 S9 C41 C45 72.5(15) . . . . ? Ag8 S9 C41 C45 -33.9(16) . . . . ? Ni5 S9 C41 C44 80.3(13) . . . . ? Ag4 S9 C41 C44 -45.1(15) . . . . ? Ag8 S9 C41 C44 -151.5(12) . . . . ? Ni5 S9 C41 C42 -36.7(15) . . . . ? Ag4 S9 C41 C42 -162.1(13) . . . . ? Ag8 S9 C41 C42 91.6(15) . . . . ? Ni5 N9 C42 C43A -172(3) . . . . ? Ni5 N9 C42 C43B -160.0(19) . . . . ? Ni5 N9 C42 C41 -39(2) . . . . ? C45 C41 C42 N9 169(2) . . . . ? C44 C41 C42 N9 -70(2) . . . . ? S9 C41 C42 N9 48(2) . . . . ? C45 C41 C42 C43A -48(3) . . . . ? C44 C41 C42 C43A 73(3) . . . . ? S9 C41 C42 C43A -169(2) . . . . ? C45 C41 C42 C43B -75(3) . . . . ? C44 C41 C42 C43B 46(3) . . . . ? S9 C41 C42 C43B 164(2) . . . . ? N9 C42 C43B O18B -164(4) . . . . ? C41 C42 C43B O18B 79(5) . . . . ? N9 C42 C43B O17B 15(4) . . . . ? C41 C42 C43B O17B -102(3) . . . . ? N9 C42 C43A O18A -151(4) . . . . ? C43B C42 C43A O18A -178(9) . . . . ? C41 C42 C43A O18A 77(5) . . . . ? N9 C42 C43A O17A 35(4) . . . . ? C43B C42 C43A O17A 8(4) . . . . ? C41 C42 C43A O17A -97(3) . . . . ? Ni5 S10 C46 C50 86.9(15) . . . . ? Ag1 S10 C46 C50 -140.3(13) . . . . ? Ag5 S10 C46 C50 -46.0(16) . . . . ? Ni5 S10 C46 C47 -36.6(14) . . . . ? Ag1 S10 C46 C47 96.2(13) . . . . ? Ag5 S10 C46 C47 -169.6(11) . . . . ? Ni5 S10 C46 C49 -146.9(15) . . . . ? Ag1 S10 C46 C49 -14.1(18) . . . . ? Ag5 S10 C46 C49 80.2(16) . . . . ? Ni5 N10 C47 C48 -175.6(14) . . . . ? Ni5 N10 C47 C46 -49.3(19) . . . . ? C50 C46 C47 C48 55(2) . . . . ? C49 C46 C47 C48 -73(2) . . . . ? S10 C46 C47 C48 177.5(16) . . . . ? C50 C46 C47 N10 -69(2) . . . . ? C49 C46 C47 N10 162.9(17) . . . . ? S10 C46 C47 N10 53.4(17) . . . . ? La1 O20 C48 O19 11(4) . . . . ? La1 O20 C48 C47 -167.0(15) . . . . ? N10 C47 C48 O19 14(3) . . . . ? C46 C47 C48 O19 -108(2) . . . . ? N10 C47 C48 O20 -167.4(18) . . . . ? C46 C47 C48 O20 71(3) . . . . ? Ni6 S11 C51 C54 -156.6(17) . . . . ? Ag8 S11 C51 C54 -29.4(18) . . . . ? Ag5 S11 C51 C54 77.9(18) . . . . ? Ni6 S11 C51 C55 82.7(17) . . . . ? Ag8 S11 C51 C55 -150.2(16) . . . . ? Ag5 S11 C51 C55 -42.9(18) . . . . ? Ni6 S11 C51 C52 -36.9(14) . . . . ? Ag8 S11 C51 C52 90.2(13) . . . . ? Ag5 S11 C51 C52 -162.5(11) . . . . ? Ni6 N11 C52 C51 -43.5(19) . . . . ? Ni6 N11 C52 C53 -164.5(11) . . . . ? C54 C51 C52 N11 165.7(18) . . . . ? C55 C51 C52 N11 -68(2) . . . . ? S11 C51 C52 N11 50.5(17) . . . . ? C54 C51 C52 C53 -74(2) . . . . ? C55 C51 C52 C53 52(2) . . . . ? S11 C51 C52 C53 170.4(15) . . . . ? N11 C52 C53 O21 15(2) . . . . ? C51 C52 C53 O21 -104(2) . . . . ? N11 C52 C53 O22 -163.5(16) . . . . ? C51 C52 C53 O22 78(2) . . . . ? Ni6 S12 C56 C57 -39.5(14) . . . . ? Ag6 S12 C56 C57 90.3(13) . . . . ? Ag7 S12 C56 C57 -166.1(12) . . . . ? Ni6 S12 C56 C59 80.9(13) . . . . ? Ag6 S12 C56 C59 -149.3(12) . . . . ? Ag7 S12 C56 C59 -45.7(14) . . . . ? Ni6 S12 C56 C60 -159.3(14) . . . . ? Ag6 S12 C56 C60 -29.5(16) . . . . ? Ag7 S12 C56 C60 74.1(15) . . . . ? Ni6 N12 C57 C56 -40(2) . . . . ? Ni6 N12 C57 C58 -164.0(15) . . . . ? C59 C56 C57 N12 -71(2) . . . . ? C60 C56 C57 N12 168.8(18) . . . . ? S12 C56 C57 N12 50(2) . . . . ? C59 C56 C57 C58 51(2) . . . . ? C60 C56 C57 C58 -69(3) . . . . ? S12 C56 C57 C58 172.2(17) . . . . ? La2A O23 C58 O24 107(5) . . . . ? La2A O23 C58 C57 -76(6) . . . . ? N12 C57 C58 O23 22(3) . . . . ? C56 C57 C58 O23 -99(3) . . . . ? N12 C57 C58 O24 -160.1(18) . . . . ? C56 C57 C58 O24 79(3) . . . . ? C48 O20 La1 O11 41(2) . . . 8_565 ? C48 O20 La1 O3 -168(2) . . . 5 ? C48 O20 La1 O32 -114(2) . . . . ? C48 O20 La1 O29 -67(2) . . . . ? C48 O20 La1 O31 171(2) . . . . ? C48 O20 La1 O30 -20(2) . . . . ? C48 O20 La1 O28 101(2) . . . . ? C48 O20 La1 O27 53(2) . . . . ? C48 O20 La1 C61 77(2) . . . . ? C58 O23 La2A O33 171(5) . . . 6_556 ? C58 O23 La2A O37A -39(6) . . . . ? C58 O23 La2A O36A 106(5) . . . . ? C58 O23 La2A O34A -111(5) . . . . ? C58 O23 La2A O33 77(5) . . . . ? C58 O23 La2A O35A -166(6) . . . . ? C58 O23 La2A O38A 22(5) . . . . ? C33 O14 La3A O64A 124(4) . . . 8 ? C33 O14 La3A O65A 23(3) . . . . ? C33 O14 La3A O64A -161(4) . . . . ? C33 O14 La3A O63A -73(3) . . . 2_545 ? C33 O14 La3A La3A 175(3) . . . 8 ? C18 O7 La3C La3C 86(4) . . . 8_665 ? La3E O7 La3C La3C -86(2) . . . 8_665 ? La3D O7 La3C La3C 83.7(15) . . . 8_665 ? C18 O8 La3D O7 -2(3) . . . . ? C18 O8 La3D La3D -68(3) . . . 8_665 ? C18 O7 La3D O8 2(3) . . . . ? La3C O7 La3D O8 -180.0(16) . . . . ? La3E O7 La3D O8 -175.0(14) . . . . ? La3C O7 La3D C18 178(3) . . . . ? La3E O7 La3D C18 -178(3) . . . . ? C18 O7 La3D La3D 134(3) . . . 8_665 ? La3C O7 La3D La3D -48.8(10) . . . 8_665 ? La3E O7 La3D La3D -43.9(7) . . . 8_665 ? O7 C18 La3D O8 -176(5) . . . . ? O8 C18 La3D O7 176(5) . . . . ? O7 C18 La3D La3D -51(3) . . . 8_665 ? O8 C18 La3D La3D 125(3) . . . 8_665 ? C18 O7 La3E La3E 25(4) . . . 8_665 ? O11 La1 O27 C61 -92.9(16) 8_565 . . . ? O3 La1 O27 C61 -49.7(17) 5 . . . ? O20 La1 O27 C61 95.5(16) . . . . ? O32 La1 O27 C61 115.0(17) . . . . ? O29 La1 O27 C61 -146.0(15) . . . . ? O31 La1 O27 C61 32.4(17) . . . . ? O30 La1 O27 C61 173.0(16) . . . . ? O28 La1 O27 C61 3.8(15) . . . . ? O11 La1 O28 C61 65.3(17) 8_565 . . . ? O3 La1 O28 C61 140.5(16) 5 . . . ? O20 La1 O28 C61 -79.0(17) . . . . ? O32 La1 O28 C61 -126.8(17) . . . . ? O29 La1 O28 C61 77(2) . . . . ? O31 La1 O28 C61 -154.3(18) . . . . ? O30 La1 O28 C61 -14.9(18) . . . . ? O27 La1 O28 C61 -3.7(15) . . . . ? La1 O27 C61 O28 -6(3) . . . . ? La1 O27 C61 C62 -179(3) . . . . ? La1 O28 C61 O27 6(3) . . . . ? La1 O28 C61 C62 179(2) . . . . ? O11 La1 C61 O27 78.1(15) 8_565 . . . ? O3 La1 C61 O27 142.1(14) 5 . . . ? O20 La1 C61 O27 -77.7(15) . . . . ? O32 La1 C61 O27 -95(2) . . . . ? O29 La1 C61 O27 49(2) . . . . ? O31 La1 C61 O27 -149.7(16) . . . . ? O30 La1 C61 O27 -6.6(15) . . . . ? O28 La1 C61 O27 -173(3) . . . . ? O11 La1 C61 O28 -108.7(17) 8_565 . . . ? O3 La1 C61 O28 -44.7(18) 5 . . . ? O20 La1 C61 O28 95.5(17) . . . . ? O32 La1 C61 O28 79(2) . . . . ? O29 La1 C61 O28 -137.9(16) . . . . ? O31 La1 C61 O28 23.5(17) . . . . ? O30 La1 C61 O28 166.6(17) . . . . ? O27 La1 C61 O28 173(3) . . . . ? O23 La2A O33 La2A -175.7(9) . . . 6_556 ? O33 La2A O33 La2A 71.0(8) 6_556 . . 6_556 ? O37A La2A O33 La2A -27.6(10) . . . 6_556 ? O36A La2A O33 La2A 153.0(12) . . . 6_556 ? O34A La2A O33 La2A 15.1(16) . . . 6_556 ? O35A La2A O33 La2A 111.9(14) . . . 6_556 ? O38A La2A O33 La2A -115.5(9) . . . 6_556 ? O64A La3A O64A La3A -58(4) 8 . . 8 ? O65A La3A O64A La3A -130(3) . . . 8 ? O14 La3A O64A La3A -136(2) . . . 8 ? O63A La3A O64A La3A 160(2) 2_545 . . 8 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N1 H1 O40 0.92 2.11 2.99(2) 158.1 . N1 H2 O13 0.92 2.25 3.00(2) 137.3 8 N2 H3 O13 0.92 2.15 3.03(2) 158.3 8 N2 H4 O40 0.92 2.42 3.21(2) 143.8 . N3 H5 O49 0.92 2.11 3.00(4) 162.4 . N3 H6 O15 0.92 2.22 2.95(2) 136.4 4_554 N4 H7 O15 0.92 2.07 2.94(2) 157.2 4_554 N4 H8 O49 0.92 2.61 3.38(4) 141.1 . N5 H9 O22 0.92 2.35 3.19(2) 152.4 7 N5 H10 O41 0.92 2.41 3.27(3) 156.2 . N6 H11 O27 0.92 2.45 3.20(2) 138.9 8_655 N6 H11 O30 0.92 2.46 3.18(2) 135.3 8_655 N6 H12 O39 0.92 2.15 3.03(2) 158.4 . N7 H13 O5 0.92 1.82 2.66(2) 149.8 2_545 N7 H14 O1 0.92 2.17 3.05(2) 159.8 8 N8 H15 O47 0.92 2.51 3.25(4) 137.5 . N8 H15 O1 0.92 2.64 3.45(2) 146.9 8 N8 H16 O5 0.92 2.17 2.94(3) 140.5 2_545 N9 H18 O17B 0.92 2.11 2.64(3) 115.7 . N10 H19 O65B 0.92 2.04 2.86(4) 148.2 4_454 N10 H20 O42 0.92 2.22 3.07(3) 154.4 . N11 H21 O61B 0.92 2.43 3.19(4) 140.3 . N11 H21 O61A 0.92 2.43 3.19(4) 139.7 . N11 H22 O51 0.92 2.30 3.18(4) 159.6 . N12 H23 O38A 0.92 2.40 3.06(3) 128.7 . N12 H24 O36A 0.92 2.11 3.03(4) 177.5 . N12 H24 O61B 0.92 2.27 3.09(4) 147.8 . _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 2.123 _refine_diff_density_min -3.524 _refine_diff_density_rms 0.274 #==END #===END data_La2[2](CH3COO) _database_code_depnum_ccdc_archive 'CCDC 825633' #TrackingRef '- konno.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C62 H111 Ag8 Br La2 N12 O34 Pd6 S12, 20(O)' _chemical_formula_sum 'C62 H167 Ag8 Br La2 N12 O54 Pd6 S12' _chemical_formula_weight 4188.89 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'P 41 21 2' _symmetry_space_group_name_Hall 'P 4abw 2nw' _symmetry_Int_Tables_number 92 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y+1/2, -z+3/4' '-x+1/2, y+1/2, -z+1/4' '-y, -x, -z+1/2' 'y, x, -z' 'y+1/2, -x+1/2, z+3/4' '-y+1/2, x+1/2, z+1/4' _cell_length_a 24.8446(13) _cell_length_b 24.8446(13) _cell_length_c 47.2409(10) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 29160(2) _cell_formula_units_Z 8 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 119203 _cell_measurement_theta_min 3.00 _cell_measurement_theta_max 25.34 _exptl_crystal_description needle _exptl_crystal_colour yellow _exptl_crystal_size_max 0.40 _exptl_crystal_size_mid 0.05 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.908 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 16384 _exptl_absorpt_coefficient_mu 2.860 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.339 _exptl_absorpt_correction_T_max 0.774 _exptl_absorpt_process_details 'ABSCOR (Rigaku, 1995)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_radiation_source ? _diffrn_radiation_monochromator ? _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 10.000 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 168976 _diffrn_reflns_av_R_equivalents 0.2480 _diffrn_reflns_av_sigmaI/netI 0.1923 _diffrn_reflns_limit_h_min -27 _diffrn_reflns_limit_h_max 27 _diffrn_reflns_limit_k_min -25 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_l_min -52 _diffrn_reflns_limit_l_max 50 _diffrn_reflns_theta_min 3.00 _diffrn_reflns_theta_max 23.25 _reflns_number_total 20882 _reflns_number_gt 10325 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'RAPID AUTO (Rigaku, ????)' _computing_cell_refinement 'RAPID AUTO' _computing_data_reduction 'RAPID AUTO' _computing_structure_solution 'SHELXS97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)' _computing_publication_material ;Yadokari-XG 2009 (Wakita,Nemoto et al., 2009) ; _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^)+(0.0650P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.01(2) _refine_ls_number_reflns 20882 _refine_ls_number_parameters 1312 _refine_ls_number_restraints 99 _refine_ls_R_factor_all 0.1110 _refine_ls_R_factor_gt 0.0542 _refine_ls_wR_factor_ref 0.1410 _refine_ls_wR_factor_gt 0.1299 _refine_ls_goodness_of_fit_ref 0.842 _refine_ls_restrained_S_all 0.843 _refine_ls_shift/su_max 0.013 _refine_ls_shift/su_mean 0.001 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 Ag1 Ag 0.717197(18) 0.655498(18) 0.227895(9) 0.05455(16) Uani 1 1 d . . . Ag2 Ag 0.850824(17) 0.609594(17) 0.248730(9) 0.04903(15) Uani 1 1 d . . . Ag3 Ag 0.81454(2) 0.49703(2) 0.286828(10) 0.06841(18) Uani 1 1 d . . . Ag4 Ag 0.675370(17) 0.556433(17) 0.272393(9) 0.04720(15) Uani 1 1 d . . . Ag5 Ag 0.728628(17) 0.735798(18) 0.289246(8) 0.04981(15) Uani 1 1 d . . . Ag6 Ag 0.87505(2) 0.71523(2) 0.310077(10) 0.07123(19) Uani 1 1 d . . . Ag7 Ag 0.802432(18) 0.592217(18) 0.344062(9) 0.05224(16) Uani 1 1 d . . . Ag8 Ag 0.653429(18) 0.639790(18) 0.343654(9) 0.05368(16) Uani 1 1 d . . . Pd1 Pd 0.758739(17) 0.496009(17) 0.204436(8) 0.04178(14) Uani 1 1 d . . . Pd2 Pd 0.83499(2) 0.772350(19) 0.228661(10) 0.05781(17) Uani 1 1 d . . . Pd3 Pd 0.955083(16) 0.570069(17) 0.312369(8) 0.04182(14) Uani 1 1 d . . . Pd4 Pd 0.688484(18) 0.475791(17) 0.345860(9) 0.04638(15) Uani 1 1 d . . . Pd5 Pd 0.573712(17) 0.683457(17) 0.269380(8) 0.04123(14) Uani 1 1 d . . . Pd6 Pd 0.764831(17) 0.747092(17) 0.372904(8) 0.04494(14) Uani 1 1 d . . . Br1 Br 0.76445(2) 0.62435(2) 0.289052(11) 0.04072(17) Uani 1 1 d . . . La1 La 0.576632(14) 0.877383(14) 0.137240(7) 0.05099(12) Uani 1 1 d . . . S1 S 0.69884(6) 0.55792(6) 0.21961(3) 0.0428(5) Uani 1 1 d . . . S2 S 0.82666(6) 0.51457(6) 0.23504(3) 0.0453(5) Uani 1 1 d . . . S3 S 0.81102(6) 0.68665(6) 0.22005(3) 0.0496(5) Uani 1 1 d . . . S4 S 0.81984(6) 0.77179(6) 0.27609(3) 0.0516(5) Uani 1 1 d . . . S5 S 0.91983(6) 0.63660(6) 0.28442(3) 0.0490(5) Uani 1 1 d . . . S6 S 0.87538(6) 0.53139(6) 0.32450(3) 0.0427(5) Uani 1 1 d . . . S7 S 0.71752(6) 0.48007(6) 0.30061(3) 0.0448(5) Uani 1 1 d . . . S8 S 0.71050(6) 0.56002(6) 0.35898(3) 0.0439(5) Uani 1 1 d . . . S9 S 0.60691(6) 0.61563(6) 0.29694(3) 0.0425(5) Uani 1 1 d . . . S10 S 0.65390(5) 0.71516(6) 0.25406(3) 0.0428(5) Uani 1 1 d . . . S11 S 0.69945(5) 0.73043(6) 0.34033(3) 0.0403(5) Uani 1 1 d . . . S12 S 0.82713(5) 0.68834(6) 0.35653(3) 0.0452(5) Uani 1 1 d . . . O1 O 0.60915(17) 0.45147(17) 0.14951(8) 0.0888(16) Uani 1 1 d . . . O2 O 0.59377(16) 0.5356(2) 0.13321(8) 0.107(2) Uani 1 1 d . . . O3 O 0.88725(17) 0.39273(16) 0.16169(8) 0.0793(17) Uani 1 1 d . . . O4 O 0.9357(2) 0.3741(2) 0.19827(10) 0.121(2) Uani 1 1 d . . . O5 O 0.87497(15) 0.76248(17) 0.13081(8) 0.0814(16) Uani 1 1 d . . . O6 O 0.79791(18) 0.7228(2) 0.12279(8) 0.107(2) Uani 1 1 d . . . O7 O 0.8591(3) 0.9563(2) 0.24383(12) 0.163(3) Uani 1 1 d . . . O8 O 0.9023(2) 0.9420(2) 0.28835(13) 0.170(3) Uani 1 1 d . . . O9 O 1.11343(16) 0.6390(2) 0.27443(10) 0.109(2) Uani 1 1 d . . . O10 O 1.0891(2) 0.7204(3) 0.27661(13) 0.176(3) Uani 1 1 d U . . O11 O 1.02505(13) 0.43372(13) 0.36867(6) 0.0461(12) Uani 1 1 d U . . O12 O 0.96393(15) 0.37236(19) 0.35655(9) 0.0942(19) Uani 1 1 d . . . O13 O 0.63752(15) 0.30215(14) 0.31473(8) 0.0656(15) Uani 1 1 d . . . O14 O 0.71346(18) 0.29044(16) 0.29289(8) 0.0872(17) Uani 1 1 d . . . O15 O 0.67187(19) 0.45215(18) 0.44223(9) 0.1103(19) Uani 1 1 d . . . O16 O 0.6359(2) 0.53071(19) 0.45142(9) 0.133(2) Uani 1 1 d . . . O17 O 0.41544(18) 0.5891(2) 0.29581(13) 0.136(2) Uani 1 1 d . . . O18 O 0.4381(2) 0.5858(2) 0.34010(11) 0.149(2) Uani 1 1 d . . . O19 O 0.51106(15) 0.82184(14) 0.20876(7) 0.0632(14) Uani 1 1 d . . . O20 O 0.57721(14) 0.81006(14) 0.17730(7) 0.0528(13) Uani 1 1 d . . . O21 O 0.64279(15) 0.88188(18) 0.39687(8) 0.0856(17) Uani 1 1 d . . . O22 O 0.56780(13) 0.83844(16) 0.38992(8) 0.0731(16) Uani 1 1 d . . . O23 O 0.89462(18) 0.7650(2) 0.44435(8) 0.108(2) Uani 1 1 d . . . O24 O 0.96566(14) 0.75589(15) 0.41880(8) 0.0680(15) Uani 1 1 d . . . N1 N 0.70476(18) 0.48150(19) 0.17427(8) 0.0650(19) Uani 1 1 d . . . H1 H 0.7229 0.4755 0.1576 0.078 Uiso 1 1 calc R . . H1A H 0.6868 0.4502 0.1788 0.078 Uiso 1 1 calc R . . N2 N 0.80879(15) 0.43568(16) 0.18961(8) 0.0417(14) Uani 1 1 d . . . H2 H 0.7894 0.4042 0.1889 0.050 Uiso 1 1 calc R . . H2A H 0.8187 0.4441 0.1714 0.050 Uiso 1 1 calc R . . N3 N 0.8411(2) 0.78008(19) 0.18453(8) 0.085(2) Uani 1 1 d . . . H3 H 0.8256 0.8120 0.1790 0.102 Uiso 1 1 calc R . . H3A H 0.8769 0.7812 0.1795 0.102 Uiso 1 1 calc R . . N4 N 0.8678(2) 0.84940(17) 0.23499(11) 0.091(2) Uani 1 1 d . . . H4 H 0.9008 0.8516 0.2263 0.109 Uiso 1 1 calc R . . H4A H 0.8456 0.8749 0.2270 0.109 Uiso 1 1 calc R . . N5 N 1.02647(16) 0.60522(17) 0.30435(9) 0.0583(17) Uani 1 1 d . . . H5 H 1.0447 0.6089 0.3212 0.070 Uiso 1 1 calc R . . H5A H 1.0463 0.5825 0.2930 0.070 Uiso 1 1 calc R . . N6 N 0.98829(15) 0.50938(16) 0.33561(8) 0.0439(15) Uani 1 1 d . . . H6 H 1.0213 0.5010 0.3280 0.053 Uiso 1 1 calc R . . H6A H 0.9940 0.5217 0.3537 0.053 Uiso 1 1 calc R . . N7 N 0.67230(18) 0.39723(16) 0.33746(9) 0.0603(17) Uani 1 1 d . . . H7 H 0.6805 0.3772 0.3533 0.072 Uiso 1 1 calc R . . H7A H 0.6359 0.3937 0.3343 0.072 Uiso 1 1 calc R . . N8 N 0.6630(2) 0.46735(18) 0.38764(9) 0.073(2) Uani 1 1 d . . . H8 H 0.6291 0.4523 0.3877 0.088 Uiso 1 1 calc R . . H8A H 0.6858 0.4439 0.3968 0.088 Uiso 1 1 calc R . . N9 N 0.49745(17) 0.65968(18) 0.28462(9) 0.0643(17) Uani 1 1 d . . . H9 H 0.4786 0.6898 0.2900 0.077 Uiso 1 1 calc R . . H9A H 0.4787 0.6435 0.2701 0.077 Uiso 1 1 calc R . . N10 N 0.53962(16) 0.73893(16) 0.24009(8) 0.0478(15) Uani 1 1 d . . . H10 H 0.5112 0.7229 0.2309 0.057 Uiso 1 1 calc R . . H10A H 0.5266 0.7683 0.2498 0.057 Uiso 1 1 calc R . . N11 N 0.70986(16) 0.79601(17) 0.39037(8) 0.0534(16) Uani 1 1 d . . . H11 H 0.7093 0.7889 0.4095 0.064 Uiso 1 1 calc R . . H11A H 0.7222 0.8307 0.3883 0.064 Uiso 1 1 calc R . . N12 N 0.82013(16) 0.76826(19) 0.40166(9) 0.0737(17) Uani 1 1 d . . . H12 H 0.8217 0.8052 0.4024 0.088 Uiso 1 1 calc R . . H12A H 0.8089 0.7564 0.4191 0.088 Uiso 1 1 calc R . . C1 C 0.6382(2) 0.5422(2) 0.19667(9) 0.0398(18) Uani 1 1 d . . . C2 C 0.6639(2) 0.5248(2) 0.16932(10) 0.063(2) Uani 1 1 d . . . H2B H 0.6812 0.5564 0.1599 0.075 Uiso 1 1 calc R . . C3 C 0.6167(2) 0.4988(2) 0.14822(11) 0.0589(19) Uani 1 1 d U . . C4 C 0.6043(2) 0.5040(2) 0.20967(11) 0.052(2) Uani 1 1 d . . . H4B H 0.5892 0.5193 0.2271 0.078 Uiso 1 1 calc R . . H4C H 0.6251 0.4717 0.2143 0.078 Uiso 1 1 calc R . . H4D H 0.5750 0.4946 0.1967 0.078 Uiso 1 1 calc R . . C5 C 0.6079(2) 0.5954(2) 0.19044(12) 0.075(2) Uani 1 1 d U . . H5B H 0.6325 0.6211 0.1815 0.112 Uiso 1 1 calc R . . H5C H 0.5942 0.6105 0.2082 0.112 Uiso 1 1 calc R . . H5D H 0.5777 0.5881 0.1776 0.112 Uiso 1 1 calc R . . C6 C 0.8821(2) 0.4772(2) 0.21646(11) 0.0481(19) Uani 1 1 d . . . C7 C 0.85774(19) 0.42604(19) 0.20616(10) 0.0381(17) Uani 1 1 d . . . H7B H 0.8482 0.4034 0.2229 0.046 Uiso 1 1 calc R . . C8 C 0.8955(2) 0.3948(2) 0.18759(14) 0.073(2) Uani 1 1 d . . . C9 C 0.8987(2) 0.5131(2) 0.19060(11) 0.075(2) Uani 1 1 d . . . H9B H 0.9148 0.5467 0.1975 0.112 Uiso 1 1 calc R . . H9C H 0.8668 0.5214 0.1792 0.112 Uiso 1 1 calc R . . H9D H 0.9250 0.4937 0.1790 0.112 Uiso 1 1 calc R . . C10 C 0.9263(2) 0.4713(3) 0.23958(11) 0.080(2) Uani 1 1 d . . . H10B H 0.9403 0.5070 0.2445 0.121 Uiso 1 1 calc R . . H10C H 0.9557 0.4489 0.2323 0.121 Uiso 1 1 calc R . . H10D H 0.9108 0.4544 0.2565 0.121 Uiso 1 1 calc R . . C11 C 0.8310(2) 0.6810(2) 0.18156(11) 0.052(2) Uani 1 1 d . . . C12 C 0.8144(2) 0.7346(3) 0.16920(10) 0.064(2) Uani 1 1 d . . . H12B H 0.7744 0.7387 0.1701 0.077 Uiso 1 1 calc R . . C13 C 0.8352(2) 0.7438(3) 0.13736(11) 0.071(2) Uani 1 1 d U . . C14 C 0.89265(19) 0.6714(2) 0.18016(10) 0.0465(19) Uani 1 1 d . . . H14 H 0.9114 0.7019 0.1889 0.070 Uiso 1 1 calc R . . H14A H 0.9038 0.6680 0.1603 0.070 Uiso 1 1 calc R . . H14B H 0.9017 0.6383 0.1904 0.070 Uiso 1 1 calc R . . C15 C 0.8015(2) 0.6365(3) 0.16932(10) 0.069(2) Uani 1 1 d . . . H15 H 0.8140 0.6026 0.1776 0.104 Uiso 1 1 calc R . . H15A H 0.8073 0.6358 0.1488 0.104 Uiso 1 1 calc R . . H15B H 0.7630 0.6410 0.1732 0.104 Uiso 1 1 calc R . . C16 C 0.8246(3) 0.8450(2) 0.28246(12) 0.081(2) Uani 1 1 d . . . C17 C 0.8739(3) 0.8606(2) 0.26622(12) 0.075(2) Uani 1 1 d . . . H17 H 0.9070 0.8432 0.2741 0.090 Uiso 1 1 calc R . . C18 C 0.8789(3) 0.9259(4) 0.26606(19) 0.158(4) Uani 1 1 d . . . C19 C 0.7685(2) 0.8711(2) 0.27204(12) 0.068(2) Uani 1 1 d . . . H19 H 0.7649 0.8664 0.2515 0.102 Uiso 1 1 calc R . . H19A H 0.7681 0.9095 0.2766 0.102 Uiso 1 1 calc R . . H19B H 0.7385 0.8531 0.2816 0.102 Uiso 1 1 calc R . . C20 C 0.8290(3) 0.8528(2) 0.31160(13) 0.092(3) Uani 1 1 d . . . H20 H 0.7956 0.8413 0.3208 0.137 Uiso 1 1 calc R . . H20A H 0.8353 0.8910 0.3155 0.137 Uiso 1 1 calc R . . H20B H 0.8592 0.8315 0.3189 0.137 Uiso 1 1 calc R . . C21 C 0.9827(2) 0.6588(2) 0.26672(12) 0.061(2) Uani 1 1 d . . . C22 C 1.02378(19) 0.6592(2) 0.29030(11) 0.052(2) Uani 1 1 d . . . H22 H 1.0138 0.6871 0.3046 0.063 Uiso 1 1 calc R . . C23 C 1.0770(3) 0.6722(3) 0.27813(14) 0.104(3) Uani 1 1 d U . . C24 C 0.9941(2) 0.6178(2) 0.24404(9) 0.062(2) Uani 1 1 d . . . H24 H 1.0027 0.5832 0.2529 0.093 Uiso 1 1 calc R . . H24A H 1.0247 0.6298 0.2326 0.093 Uiso 1 1 calc R . . H24B H 0.9623 0.6138 0.2319 0.093 Uiso 1 1 calc R . . C25 C 0.9676(2) 0.7125(2) 0.25249(12) 0.069(2) Uani 1 1 d . . . H25 H 0.9582 0.7390 0.2670 0.103 Uiso 1 1 calc R . . H25A H 0.9368 0.7070 0.2399 0.103 Uiso 1 1 calc R . . H25B H 0.9983 0.7257 0.2415 0.103 Uiso 1 1 calc R . . C26 C 0.8998(2) 0.4760(2) 0.34849(10) 0.052(2) Uani 1 1 d . . . C27 C 0.95661(19) 0.4607(2) 0.33713(10) 0.0422(18) Uani 1 1 d . . . H27 H 0.9532 0.4447 0.3178 0.051 Uiso 1 1 calc R . . C28 C 0.9885(2) 0.4203(2) 0.35712(13) 0.062(2) Uani 1 1 d . . . C29 C 0.9027(2) 0.4968(2) 0.37928(9) 0.0475(19) Uani 1 1 d . . . H29 H 0.8664 0.5058 0.3859 0.071 Uiso 1 1 calc R . . H29A H 0.9254 0.5290 0.3800 0.071 Uiso 1 1 calc R . . H29B H 0.9182 0.4688 0.3915 0.071 Uiso 1 1 calc R . . C30 C 0.8555(2) 0.4354(2) 0.34716(12) 0.072(2) Uani 1 1 d . . . H30 H 0.8227 0.4507 0.3554 0.108 Uiso 1 1 calc R . . H30A H 0.8660 0.4032 0.3578 0.108 Uiso 1 1 calc R . . H30B H 0.8488 0.4256 0.3274 0.108 Uiso 1 1 calc R . . C31 C 0.6948(2) 0.4112(2) 0.28722(10) 0.0511(19) Uani 1 1 d . . . C32 C 0.7023(2) 0.3736(2) 0.31232(10) 0.053(2) Uani 1 1 d . . . H32 H 0.7415 0.3714 0.3170 0.063 Uiso 1 1 calc R . . C33 C 0.6822(2) 0.3189(2) 0.30561(11) 0.053(2) Uani 1 1 d . . . C34 C 0.63246(19) 0.4185(2) 0.27989(10) 0.0564(18) Uani 1 1 d U . . H34 H 0.6126 0.4277 0.2972 0.085 Uiso 1 1 calc R . . H34A H 0.6183 0.3849 0.2721 0.085 Uiso 1 1 calc R . . H34B H 0.6282 0.4474 0.2660 0.085 Uiso 1 1 calc R . . C35 C 0.7245(2) 0.3980(2) 0.26160(11) 0.067(2) Uani 1 1 d . . . H35 H 0.7160 0.4243 0.2468 0.100 Uiso 1 1 calc R . . H35A H 0.7145 0.3619 0.2552 0.100 Uiso 1 1 calc R . . H35B H 0.7632 0.3990 0.2656 0.100 Uiso 1 1 calc R . . C36 C 0.7085(2) 0.5519(2) 0.39841(10) 0.0557(18) Uani 1 1 d U . . C37 C 0.6614(3) 0.5167(2) 0.40296(10) 0.064(2) Uani 1 1 d . . . H37 H 0.6277 0.5368 0.3981 0.076 Uiso 1 1 calc R . . C38 C 0.6566(3) 0.4921(3) 0.43467(14) 0.124(3) Uani 1 1 d . . . C39 C 0.7625(2) 0.5210(3) 0.40787(11) 0.084(3) Uani 1 1 d . . . H39 H 0.7624 0.4846 0.3999 0.126 Uiso 1 1 calc R . . H39A H 0.7639 0.5188 0.4286 0.126 Uiso 1 1 calc R . . H39B H 0.7940 0.5407 0.4009 0.126 Uiso 1 1 calc R . . C40 C 0.7042(2) 0.60559(19) 0.41046(10) 0.0488(17) Uani 1 1 d U . . H40 H 0.7372 0.6258 0.4065 0.073 Uiso 1 1 calc R . . H40A H 0.6989 0.6028 0.4310 0.073 Uiso 1 1 calc R . . H40B H 0.6734 0.6243 0.4020 0.073 Uiso 1 1 calc R . . C41 C 0.5419(2) 0.5785(2) 0.30341(11) 0.0488(19) Uani 1 1 d . . . C42 C 0.5004(2) 0.6201(2) 0.31009(12) 0.053(2) Uani 1 1 d . . . H42 H 0.5129 0.6408 0.3270 0.063 Uiso 1 1 calc R . . C43 C 0.4477(2) 0.5988(2) 0.31619(13) 0.073(2) Uani 1 1 d . . . C44 C 0.5289(2) 0.5434(2) 0.27777(10) 0.0455(19) Uani 1 1 d . . . H44 H 0.5576 0.5170 0.2750 0.068 Uiso 1 1 calc R . . H44A H 0.5259 0.5662 0.2609 0.068 Uiso 1 1 calc R . . H44B H 0.4947 0.5247 0.2810 0.068 Uiso 1 1 calc R . . C45 C 0.5514(2) 0.5428(2) 0.33043(11) 0.082(2) Uani 1 1 d . . . H45 H 0.5779 0.5147 0.3261 0.123 Uiso 1 1 calc R . . H45A H 0.5174 0.5260 0.3361 0.123 Uiso 1 1 calc R . . H45B H 0.5649 0.5653 0.3459 0.123 Uiso 1 1 calc R . . C46 C 0.63273(17) 0.7746(2) 0.23286(9) 0.0324(16) Uani 1 1 d . . . C47 C 0.5798(2) 0.7569(2) 0.21911(10) 0.053(2) Uani 1 1 d . . . H47 H 0.5882 0.7251 0.2069 0.064 Uiso 1 1 calc R . . C48 C 0.5539(2) 0.7985(2) 0.20042(11) 0.0491(19) Uani 1 1 d . . . C49 C 0.6253(2) 0.8220(2) 0.25126(11) 0.059(2) Uani 1 1 d . . . H49 H 0.5966 0.8148 0.2649 0.089 Uiso 1 1 calc R . . H49A H 0.6156 0.8532 0.2397 0.089 Uiso 1 1 calc R . . H49B H 0.6589 0.8295 0.2614 0.089 Uiso 1 1 calc R . . C50 C 0.6739(2) 0.7809(2) 0.21169(11) 0.065(2) Uani 1 1 d . . . H50 H 0.6766 0.7478 0.2005 0.097 Uiso 1 1 calc R . . H50A H 0.7085 0.7880 0.2209 0.097 Uiso 1 1 calc R . . H50B H 0.6647 0.8111 0.1993 0.097 Uiso 1 1 calc R . . C51 C 0.65487(19) 0.7873(2) 0.34878(10) 0.0383(17) Uani 1 1 d . . . C52 C 0.6525(2) 0.7950(2) 0.38020(10) 0.051(2) Uani 1 1 d . . . H52 H 0.6368 0.7609 0.3879 0.062 Uiso 1 1 calc R . . C53 C 0.6155(2) 0.8382(2) 0.38930(11) 0.0588(19) Uani 1 1 d U . . C54 C 0.6775(2) 0.8409(2) 0.33454(11) 0.064(2) Uani 1 1 d . . . H54 H 0.6789 0.8362 0.3140 0.096 Uiso 1 1 calc R . . H54A H 0.7137 0.8482 0.3417 0.096 Uiso 1 1 calc R . . H54B H 0.6537 0.8711 0.3392 0.096 Uiso 1 1 calc R . . C55 C 0.5983(2) 0.7739(3) 0.33577(12) 0.090(2) Uani 1 1 d U . . H55 H 0.6017 0.7700 0.3152 0.134 Uiso 1 1 calc R . . H55A H 0.5731 0.8032 0.3401 0.134 Uiso 1 1 calc R . . H55B H 0.5848 0.7403 0.3439 0.134 Uiso 1 1 calc R . . C56 C 0.8751(2) 0.68845(19) 0.38650(10) 0.0437(18) Uani 1 1 d . . . C57 C 0.8803(2) 0.7454(2) 0.39597(10) 0.072(2) Uani 1 1 d . . . H57 H 0.8944 0.7658 0.3793 0.087 Uiso 1 1 calc R . . C58 C 0.9195(3) 0.7585(2) 0.42118(12) 0.073(2) Uani 1 1 d . . . C59 C 0.8563(3) 0.6545(2) 0.40908(11) 0.086(3) Uani 1 1 d . . . H59 H 0.8549 0.6171 0.4025 0.130 Uiso 1 1 calc R . . H59A H 0.8202 0.6661 0.4149 0.130 Uiso 1 1 calc R . . H59B H 0.8810 0.6573 0.4252 0.130 Uiso 1 1 calc R . . C60 C 0.9356(3) 0.6730(3) 0.37460(14) 0.136(3) Uani 1 1 d . . . H60 H 0.9455 0.6977 0.3593 0.204 Uiso 1 1 calc R . . H60A H 0.9354 0.6360 0.3674 0.204 Uiso 1 1 calc R . . H60B H 0.9618 0.6760 0.3900 0.204 Uiso 1 1 calc R . . O25 O 0.95108(18) 0.77802(18) 0.32339(9) 0.0920(18) Uani 1 1 d . . . O26 O 0.58184(18) 0.65187(19) 0.37995(8) 0.0955(18) Uani 1 1 d . . . O27 O 0.58125(10) 0.92999(18) 0.18682(9) 0.1017(13) Uani 1 1 d DU . . O28 O 0.6591(2) 0.9091(2) 0.16523(11) 0.1258(14) Uani 1 1 d U . . C61 C 0.63083(12) 0.9334(3) 0.18617(17) 0.1159(11) Uani 1 1 d DU . . C62 C 0.6635(3) 0.9537(3) 0.21426(16) 0.143(2) Uani 1 1 d U . . H62 H 0.7022 0.9535 0.2104 0.214 Uiso 1 1 calc R . . H62A H 0.6558 0.9294 0.2301 0.214 Uiso 1 1 calc R . . H62B H 0.6521 0.9903 0.2192 0.214 Uiso 1 1 calc R . . O29 O 0.49689(16) 0.88856(14) 0.10243(7) 0.0644(14) Uani 1 1 d . . . O30 O 0.48472(13) 0.88945(13) 0.16420(6) 0.0436(12) Uani 1 1 d . . . O31 O 0.65869(8) 0.811755(14) 0.12844(3) 0.133(2) Uani 1 1 d D . . O32 O 0.5431(2) 0.78581(17) 0.11866(9) 0.130(2) Uani 1 1 d . . . La2 La 0.84061(8) 0.77451(8) 0.48970(4) 0.2334(8) Uiso 0.50 1 d P . . La3 La 0.89085(15) 1.04752(14) 0.27127(7) 0.1925(13) Uiso 0.25 1 d P A 1 O33 O 0.52762(15) 0.92607(16) 0.36319(7) 0.0652(11) Uiso 1 1 d . . . O34 O 0.99593(18) 0.68678(18) 0.46357(8) 0.0880(14) Uiso 1 1 d . . . La4 La 0.93322(17) 1.03006(16) 0.29173(8) 0.2198(16) Uiso 0.25 1 d P A 2 O35 O 0.7856(2) 0.4840(2) 0.12690(10) 0.1244(19) Uiso 1 1 d . . . O36 O 0.5030(2) 0.9285(2) 0.23196(10) 0.1254(19) Uiso 1 1 d . . . O37 O 0.6908(3) 0.1906(3) 0.28251(13) 0.172(3) Uiso 1 1 d . . . O38 O 0.6323(3) 0.2515(3) 0.36796(14) 0.196(3) Uiso 1 1 d . . . O39 O 0.9461(3) 1.1280(2) 0.26850(14) 0.207(3) Uani 1 1 d . . . O40 O 0.5337(3) 0.4677(3) 0.10159(14) 0.191(3) Uiso 1 1 d . . . O41 O 0.5035(4) 0.5997(4) 0.12784(19) 0.260(4) Uiso 1 1 d . . . O42 O 0.51764(18) 0.73877(18) 0.38372(9) 0.0900(14) Uiso 1 1 d . . . O43 O 0.7485(3) 0.1307(3) 0.32385(14) 0.186(3) Uiso 1 1 d . . . O44 O 0.8134(3) 0.2916(3) 0.31966(13) 0.171(3) Uiso 1 1 d . . . O45 O 0.48203(3) 0.67368(7) 0.198411(8) 0.159(2) Uiso 1 1 d D . . O46 O 0.53025(3) 0.69361(8) 0.151930(10) 0.160(2) Uiso 1 1 d D . . O47 O 0.6833(3) 0.7292(3) 0.44665(16) 0.218(3) Uiso 1 1 d . . . O49 O 0.4722(3) 0.7650(3) 0.07739(14) 0.190(3) Uiso 1 1 d . . . O50 O 0.4438(3) 0.8543(3) 0.03914(15) 0.206(3) Uiso 1 1 d . . . O51 O 0.6358(3) 0.6243(3) 0.11598(15) 0.210(3) Uiso 1 1 d . . . O52 O 0.5103(3) 0.6460(3) 0.07674(16) 0.227(4) Uiso 1 1 d . . . O53 O 0.4123(3) 0.9615(3) 0.04134(14) 0.199(3) Uiso 1 1 d . . . O54 O 0.67328(10) 0.712936(16) 0.14084(4) 0.263(4) Uiso 1 1 d D . . O56 O 0.4145(6) 0.7462(5) 0.1270(2) 0.378(7) Uiso 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.0549(3) 0.0453(3) 0.0634(3) -0.0001(2) 0.0101(2) 0.0022(2) Ag2 0.0481(3) 0.0470(3) 0.0519(2) -0.0050(2) 0.0035(2) -0.0023(2) Ag3 0.0538(3) 0.0946(4) 0.0569(3) 0.0086(3) -0.0089(2) -0.0202(3) Ag4 0.0447(3) 0.0432(3) 0.0537(2) -0.0020(2) 0.0000(2) -0.0030(2) Ag5 0.0492(3) 0.0464(3) 0.0539(2) -0.0025(2) -0.0001(2) 0.0021(2) Ag6 0.0639(3) 0.0865(4) 0.0632(3) -0.0069(3) 0.0041(3) 0.0216(3) Ag7 0.0494(3) 0.0550(3) 0.0523(3) -0.0021(2) 0.0006(2) -0.0016(2) Ag8 0.0540(3) 0.0438(3) 0.0632(3) 0.0005(2) -0.0051(2) -0.0006(2) Pd1 0.0411(3) 0.0401(3) 0.0442(2) -0.0062(2) -0.0010(2) -0.0027(2) Pd2 0.0587(3) 0.0438(3) 0.0709(3) 0.0085(3) 0.0144(3) -0.0034(3) Pd3 0.0317(2) 0.0447(3) 0.0491(2) -0.0031(2) -0.0030(2) -0.0016(2) Pd4 0.0421(3) 0.0392(3) 0.0579(3) 0.0086(2) -0.0051(2) -0.0027(2) Pd5 0.0363(2) 0.0406(3) 0.0468(2) 0.0048(2) 0.0005(2) 0.0050(2) Pd6 0.0319(2) 0.0488(3) 0.0542(2) -0.0171(2) -0.0068(2) 0.0065(2) Br1 0.0373(3) 0.0389(3) 0.0459(3) -0.0022(3) 0.0022(3) 0.0017(3) La1 0.0500(2) 0.0421(2) 0.0609(2) 0.00394(18) 0.00189(19) 0.00519(19) S1 0.0362(9) 0.0421(9) 0.0502(8) -0.0050(7) -0.0005(7) 0.0001(7) S2 0.0406(9) 0.0474(9) 0.0479(8) -0.0163(7) -0.0053(7) 0.0042(8) S3 0.0465(9) 0.0537(10) 0.0487(8) 0.0103(7) 0.0076(7) -0.0032(8) S4 0.0530(10) 0.0423(9) 0.0596(9) -0.0060(8) 0.0047(8) -0.0064(8) S5 0.0451(9) 0.0513(10) 0.0507(8) -0.0060(7) 0.0028(7) 0.0008(8) S6 0.0313(8) 0.0499(9) 0.0469(8) -0.0014(7) -0.0015(7) 0.0077(7) S7 0.0374(9) 0.0350(9) 0.0622(9) 0.0035(7) -0.0078(7) -0.0058(7) S8 0.0436(9) 0.0444(9) 0.0436(8) -0.0027(7) -0.0005(7) 0.0039(7) S9 0.0380(9) 0.0408(9) 0.0486(8) 0.0066(7) -0.0021(7) 0.0007(7) S10 0.0335(8) 0.0424(9) 0.0527(8) 0.0038(7) -0.0029(7) 0.0112(7) S11 0.0348(8) 0.0429(9) 0.0431(8) -0.0077(7) -0.0036(6) 0.0047(7) S12 0.0325(8) 0.0444(9) 0.0585(9) -0.0147(7) -0.0053(7) 0.0039(7) O1 0.067(3) 0.097(3) 0.103(3) -0.066(2) -0.032(2) 0.012(3) O2 0.059(3) 0.191(5) 0.071(3) 0.003(3) -0.035(2) 0.030(3) O3 0.095(3) 0.071(3) 0.072(3) -0.015(2) 0.012(2) -0.021(3) O4 0.108(4) 0.135(4) 0.119(4) -0.053(3) 0.001(3) 0.030(3) O5 0.060(3) 0.102(3) 0.082(3) 0.042(2) -0.018(2) -0.040(2) O6 0.086(3) 0.166(5) 0.071(3) 0.046(3) 0.014(2) 0.002(3) O7 0.226(6) 0.111(4) 0.151(5) -0.009(4) 0.067(4) -0.036(5) O8 0.182(6) 0.107(4) 0.221(5) -0.080(4) 0.077(4) -0.060(4) O9 0.027(3) 0.135(4) 0.164(4) 0.029(3) 0.015(3) -0.006(3) O10 0.147(4) 0.192(5) 0.188(4) -0.003(4) 0.011(4) -0.095(3) O11 0.036(2) 0.055(2) 0.0472(19) -0.0211(17) -0.0008(16) -0.0101(18) O12 0.036(3) 0.125(4) 0.121(4) -0.005(3) -0.012(2) 0.029(3) O13 0.059(3) 0.045(2) 0.093(3) -0.008(2) -0.023(2) -0.003(2) O14 0.116(4) 0.051(3) 0.094(3) -0.006(2) -0.040(3) 0.002(3) O15 0.131(4) 0.090(3) 0.110(3) 0.038(3) 0.044(3) 0.070(3) O16 0.242(5) 0.083(4) 0.075(3) 0.012(3) 0.091(3) 0.013(4) O17 0.052(3) 0.101(4) 0.253(6) -0.024(4) -0.001(4) -0.041(3) O18 0.132(4) 0.128(4) 0.186(4) 0.096(3) 0.095(3) 0.035(3) O19 0.059(3) 0.055(3) 0.077(2) 0.017(2) -0.027(2) 0.014(2) O20 0.061(2) 0.048(2) 0.050(2) 0.0159(18) -0.0151(19) 0.019(2) O21 0.064(3) 0.104(3) 0.089(3) -0.027(2) -0.016(2) 0.042(2) O22 0.010(2) 0.104(3) 0.105(3) -0.008(3) 0.006(2) 0.020(2) O23 0.083(3) 0.163(4) 0.077(3) -0.046(3) -0.030(2) 0.017(3) O24 0.040(2) 0.055(3) 0.109(3) 0.008(2) -0.034(2) 0.002(2) N1 0.067(3) 0.083(4) 0.045(3) -0.008(3) 0.007(3) -0.005(3) N2 0.021(2) 0.055(3) 0.049(2) -0.014(2) 0.003(2) -0.017(2) N3 0.139(5) 0.063(4) 0.052(3) 0.010(3) 0.051(3) -0.010(3) N4 0.076(4) 0.034(3) 0.164(5) -0.013(3) 0.019(4) -0.036(3) N5 0.032(3) 0.060(3) 0.082(3) 0.019(3) -0.012(2) -0.016(2) N6 0.017(2) 0.062(3) 0.053(2) 0.024(2) 0.014(2) 0.010(2) N7 0.053(3) 0.044(3) 0.084(3) 0.007(2) -0.019(3) -0.034(2) N8 0.081(4) 0.052(3) 0.086(3) 0.021(3) 0.024(3) 0.006(3) N9 0.056(3) 0.066(3) 0.071(3) 0.005(3) 0.025(3) 0.033(3) N10 0.036(3) 0.039(3) 0.068(3) -0.004(2) -0.008(2) 0.007(2) N11 0.054(3) 0.062(3) 0.045(2) -0.028(2) 0.009(2) 0.008(3) N12 0.032(3) 0.091(3) 0.098(3) -0.073(3) -0.025(2) 0.018(3) C1 0.044(3) 0.047(3) 0.028(3) -0.006(3) -0.015(2) 0.010(3) C2 0.069(4) 0.073(4) 0.047(3) -0.006(3) -0.015(3) 0.034(4) C3 0.027(3) 0.080(4) 0.070(3) -0.036(3) 0.014(3) 0.006(3) C4 0.053(4) 0.032(3) 0.070(4) -0.007(3) 0.023(3) 0.015(3) C5 0.076(4) 0.062(4) 0.087(4) 0.021(3) -0.033(3) 0.025(3) C6 0.042(3) 0.038(3) 0.064(4) -0.009(3) -0.010(3) 0.017(3) C7 0.032(3) 0.037(3) 0.046(3) -0.016(3) 0.012(2) 0.004(3) C8 0.044(4) 0.068(5) 0.108(5) -0.015(4) 0.000(4) 0.020(3) C9 0.089(5) 0.044(4) 0.091(4) -0.020(3) 0.056(3) -0.024(3) C10 0.048(4) 0.113(5) 0.080(4) -0.062(3) 0.000(3) -0.005(4) C11 0.028(3) 0.071(4) 0.057(3) 0.004(3) -0.007(3) 0.010(3) C12 0.041(4) 0.094(5) 0.057(3) 0.009(4) -0.003(3) 0.001(4) C13 0.081(4) 0.076(4) 0.055(3) -0.008(3) -0.043(3) 0.024(3) C14 0.043(3) 0.052(4) 0.044(3) 0.011(3) 0.018(3) 0.016(3) C15 0.046(4) 0.118(6) 0.044(3) 0.012(4) 0.016(3) -0.001(4) C16 0.116(5) 0.055(4) 0.071(4) -0.016(3) 0.056(3) -0.020(4) C17 0.084(5) 0.039(4) 0.101(4) -0.035(3) 0.016(4) -0.026(3) C18 0.081(5) 0.220(10) 0.174(7) 0.018(7) 0.061(5) -0.055(6) C19 0.073(4) 0.022(3) 0.110(5) -0.007(3) 0.000(4) 0.023(3) C20 0.115(5) 0.047(4) 0.113(5) -0.022(4) 0.019(4) -0.058(4) C21 0.067(4) 0.033(3) 0.082(4) -0.002(3) 0.044(3) -0.021(3) C22 0.024(3) 0.063(4) 0.071(4) -0.014(3) 0.004(3) -0.023(3) C23 0.128(5) 0.100(5) 0.084(4) 0.015(4) -0.028(4) -0.017(4) C24 0.073(4) 0.087(4) 0.026(3) -0.030(3) 0.007(3) -0.017(4) C25 0.034(3) 0.059(4) 0.112(4) 0.022(4) 0.045(3) -0.003(3) C26 0.067(4) 0.044(4) 0.046(3) -0.012(3) -0.016(3) 0.016(3) C27 0.027(3) 0.058(4) 0.041(3) -0.018(3) -0.001(2) 0.006(3) C28 0.061(4) 0.018(3) 0.108(5) -0.005(3) 0.014(4) -0.015(3) C29 0.040(3) 0.059(4) 0.043(3) 0.010(3) -0.026(3) -0.003(3) C30 0.063(4) 0.078(4) 0.075(4) 0.023(3) 0.002(3) -0.051(3) C31 0.066(4) 0.037(3) 0.051(3) -0.035(3) 0.007(3) 0.008(3) C32 0.054(4) 0.058(4) 0.046(3) 0.019(3) -0.009(3) 0.016(3) C33 0.048(4) 0.044(4) 0.068(3) -0.019(3) -0.011(3) 0.004(3) C34 0.045(3) 0.059(3) 0.065(3) 0.030(3) -0.013(3) -0.038(3) C35 0.060(4) 0.047(4) 0.094(5) -0.014(3) -0.007(4) 0.004(3) C36 0.061(3) 0.064(3) 0.042(3) 0.025(3) 0.034(2) 0.011(3) C37 0.082(5) 0.067(4) 0.042(3) 0.005(3) 0.010(3) 0.004(4) C38 0.104(5) 0.189(7) 0.080(5) 0.034(5) 0.026(4) 0.112(4) C39 0.065(4) 0.121(5) 0.066(4) 0.048(4) -0.001(3) 0.037(4) C40 0.054(3) 0.032(3) 0.060(3) -0.030(2) 0.016(3) 0.003(3) C41 0.027(3) 0.053(4) 0.067(4) 0.011(3) 0.014(3) -0.019(3) C42 0.032(3) 0.048(4) 0.078(4) -0.015(3) 0.019(3) -0.009(3) C43 0.080(4) 0.027(3) 0.110(4) 0.013(3) 0.066(3) -0.006(3) C44 0.023(3) 0.043(3) 0.070(4) -0.006(3) 0.001(3) -0.003(3) C45 0.078(4) 0.086(4) 0.081(4) 0.045(3) 0.002(4) -0.053(4) C46 0.008(3) 0.053(3) 0.037(3) 0.019(3) 0.000(2) -0.009(2) C47 0.067(4) 0.049(4) 0.043(3) 0.016(3) 0.008(3) 0.037(3) C48 0.047(4) 0.047(4) 0.054(3) 0.000(3) -0.002(3) 0.029(3) C49 0.061(4) 0.044(4) 0.073(3) 0.030(3) -0.032(3) -0.008(3) C50 0.066(4) 0.031(3) 0.097(4) 0.027(3) -0.030(3) -0.007(3) C51 0.018(3) 0.054(4) 0.043(3) -0.012(3) -0.002(2) 0.002(3) C52 0.033(3) 0.054(4) 0.066(4) -0.016(3) 0.006(3) -0.003(3) C53 0.087(4) 0.035(3) 0.054(3) -0.029(3) -0.015(3) -0.005(3) C54 0.080(4) 0.049(4) 0.064(4) 0.010(3) 0.011(3) 0.031(3) C55 0.043(3) 0.120(5) 0.106(4) -0.035(4) -0.042(3) 0.021(3) C56 0.054(4) 0.023(3) 0.054(3) -0.003(3) 0.012(3) 0.008(3) C57 0.114(5) 0.053(4) 0.050(3) -0.014(3) -0.049(3) -0.026(4) C58 0.089(5) 0.052(4) 0.079(4) 0.014(3) -0.019(4) 0.035(4) C59 0.138(6) 0.053(4) 0.068(4) -0.019(3) -0.046(4) 0.005(4) C60 0.159(7) 0.121(6) 0.127(5) -0.057(5) -0.083(5) 0.073(5) O25 0.088(3) 0.084(3) 0.104(3) 0.012(3) -0.020(3) -0.025(3) O26 0.092(3) 0.111(4) 0.084(3) 0.013(3) 0.047(2) -0.003(3) O27 0.094(2) 0.089(2) 0.123(2) 0.021(2) -0.034(2) 0.001(2) O28 0.114(3) 0.111(3) 0.153(3) 0.013(2) -0.024(2) 0.013(2) C61 0.116(2) 0.0997(19) 0.1324(19) 0.0182(19) -0.0255(19) -0.0019(19) C62 0.153(4) 0.118(4) 0.157(4) 0.016(4) -0.037(4) -0.031(4) O29 0.075(3) 0.056(2) 0.061(2) 0.0335(19) -0.004(2) 0.007(2) O30 0.041(2) 0.045(2) 0.045(2) 0.0091(17) 0.0044(17) -0.0071(19) O31 0.134(4) 0.126(4) 0.140(4) 0.052(3) 0.044(3) 0.064(3) O32 0.256(6) 0.048(3) 0.087(3) -0.016(2) -0.078(3) 0.006(4) O39 0.256(6) 0.134(4) 0.232(6) -0.065(4) 0.081(5) -0.157(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 Ag1 S3 2.4839(15) . ? Ag1 S10 2.4896(14) . ? Ag1 S1 2.4977(15) . ? Ag2 S5 2.4964(15) . ? Ag2 S2 2.5205(15) . ? Ag2 S3 2.5452(15) . ? Ag2 Br1 2.8927(7) . ? Ag3 S6 2.4863(14) . ? Ag3 S2 2.5033(14) . ? Ag3 S7 2.5321(15) . ? Ag4 S9 2.5300(14) . ? Ag4 S7 2.5440(15) . ? Ag4 S1 2.5609(14) . ? Ag4 Br1 2.8921(7) . ? Ag5 S4 2.5142(16) . ? Ag5 S11 2.5236(13) . ? Ag5 S10 2.5440(14) . ? Ag5 Br1 2.9085(7) . ? Ag6 O25 2.529(4) . ? Ag6 S4 2.5366(15) . ? Ag6 S5 2.5540(15) . ? Ag6 S12 2.5844(14) . ? Ag7 S8 2.5205(15) . ? Ag7 S6 2.5341(15) . ? Ag7 S12 2.5350(15) . ? Ag7 Br1 2.8777(7) . ? Ag8 O26 2.489(4) . ? Ag8 S11 2.5304(15) . ? Ag8 S8 2.5422(15) . ? Ag8 S9 2.5624(14) . ? Pd1 N1 1.990(4) . ? Pd1 N2 2.070(4) . ? Pd1 S1 2.2572(14) . ? Pd1 S2 2.2693(14) . ? Pd2 N3 2.099(4) . ? Pd2 N4 2.102(4) . ? Pd2 S3 2.2481(16) . ? Pd2 S4 2.2721(15) . ? Pd3 N5 2.013(4) . ? Pd3 N6 2.040(4) . ? Pd3 S6 2.2744(15) . ? Pd3 S5 2.2896(15) . ? Pd4 N7 2.032(4) . ? Pd4 N8 2.084(4) . ? Pd4 S8 2.2499(15) . ? Pd4 S7 2.2588(14) . ? Pd5 N9 2.111(4) . ? Pd5 N10 2.129(4) . ? Pd5 S10 2.2612(14) . ? Pd5 S9 2.2837(14) . ? Pd6 N12 2.003(4) . ? Pd6 N11 2.006(4) . ? Pd6 S12 2.2639(15) . ? Pd6 S11 2.2754(14) . ? La1 O11 2.454(3) 5_675 ? La1 O3 2.509(4) 4_655 ? La1 O20 2.526(3) . ? La1 O28 2.562(5) . ? La1 O32 2.577(4) . ? La1 O29 2.590(4) . ? La1 O30 2.632(3) . ? La1 O31 2.6433(17) . ? La1 O27 2.685(5) . ? La1 C61 3.016(7) . ? S1 C1 1.896(5) . ? S2 C6 1.879(5) . ? S3 C11 1.890(5) . ? S4 C16 1.848(6) . ? S5 C21 1.855(6) . ? S6 C26 1.884(5) . ? S7 C31 1.911(5) . ? S8 C36 1.875(5) . ? S9 C41 1.885(5) . ? S10 C46 1.860(5) . ? S11 C51 1.840(5) . ? S12 C56 1.851(5) . ? O1 C3 1.193(7) . ? O2 C3 1.289(7) . ? O3 C8 1.242(7) . ? O3 La1 2.509(4) 4_645 ? O4 C8 1.233(8) . ? O5 C13 1.136(7) . ? O6 C13 1.266(7) . ? O7 C18 1.383(11) . ? O7 La3 2.728(7) . ? O8 C18 1.268(11) . ? O8 La4 2.323(7) . ? O8 La3 2.757(7) . ? O9 C23 1.238(9) . ? O10 C23 1.236(10) . ? O11 C28 1.110(7) . ? O11 La1 2.454(3) 5_765 ? O12 C28 1.339(7) . ? O13 C33 1.262(7) . ? O14 C33 1.210(7) . ? O15 C38 1.122(9) . ? O16 C38 1.345(9) . ? O17 C43 1.275(8) . ? O18 C43 1.199(8) . ? O19 C48 1.275(6) . ? O20 C48 1.269(6) . ? O21 C53 1.328(7) . ? O22 C53 1.186(7) . ? O23 C58 1.268(7) . ? O23 La2 2.538(5) . ? O24 C58 1.153(7) . ? N1 C2 1.498(7) . ? N2 C7 1.465(6) . ? N3 C12 1.497(7) . ? N4 C17 1.509(8) . ? N5 C22 1.498(7) . ? N6 C27 1.444(6) . ? N7 C32 1.520(7) . ? N8 C37 1.425(7) . ? N9 C42 1.555(7) . ? N10 C47 1.475(6) . ? N11 C52 1.504(6) . ? N12 C57 1.622(7) . ? C1 C4 1.409(7) . ? C1 C2 1.504(7) . ? C1 C5 1.549(8) . ? C2 C3 1.668(8) . ? C6 C7 1.490(7) . ? C6 C10 1.555(8) . ? C6 C9 1.568(7) . ? C7 C8 1.501(8) . ? C11 C15 1.447(8) . ? C11 C12 1.512(8) . ? C11 C14 1.552(7) . ? C12 C13 1.606(7) . ? C16 C20 1.394(8) . ? C16 C17 1.496(9) . ? C16 C19 1.614(8) . ? C17 C18 1.628(12) . ? C18 La3 3.046(11) . ? C21 C24 1.506(7) . ? C21 C22 1.511(8) . ? C21 C25 1.539(8) . ? C22 C23 1.478(9) . ? C26 C30 1.494(8) . ? C26 C29 1.546(7) . ? C26 C27 1.557(7) . ? C27 C28 1.591(7) . ? C31 C35 1.455(7) . ? C31 C32 1.521(7) . ? C31 C34 1.597(7) . ? C32 C33 1.480(8) . ? C36 C40 1.454(7) . ? C36 C37 1.477(8) . ? C36 C39 1.609(8) . ? C37 C38 1.622(8) . ? C41 C42 1.495(7) . ? C41 C44 1.527(7) . ? C41 C45 1.572(7) . ? C42 C43 1.442(8) . ? C46 C50 1.440(7) . ? C46 C49 1.476(7) . ? C46 C47 1.532(7) . ? C47 C48 1.504(7) . ? C51 C52 1.498(7) . ? C51 C55 1.569(7) . ? C51 C54 1.592(7) . ? C52 C53 1.477(8) . ? C56 C59 1.437(7) . ? C56 C57 1.489(7) . ? C56 C60 1.650(9) . ? C57 C58 1.573(8) . ? O27 C61 1.235(4) . ? O28 C61 1.354(9) . ? C61 C62 1.635(10) . ? La2 La2 2.518(4) 6_556 ? La3 O39 1.943(7) 5_775 ? La3 O39 2.430(7) . ? La3 O52 2.925(9) 8_655 ? La3 La3 2.954(7) 5_775 ? La4 O52 2.616(9) 8_655 ? La4 O39 2.689(7) . ? La4 La4 4.148(8) 5_775 ? O39 La3 1.943(7) 5_775 ? O52 La4 2.616(9) 7_464 ? O52 La3 2.925(9) 7_464 ? 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 S3 Ag1 S10 118.77(5) . . ? S3 Ag1 S1 116.77(5) . . ? S10 Ag1 S1 122.70(5) . . ? S5 Ag2 S2 126.06(5) . . ? S5 Ag2 S3 115.10(5) . . ? S2 Ag2 S3 118.38(5) . . ? S5 Ag2 Br1 91.76(4) . . ? S2 Ag2 Br1 96.37(4) . . ? S3 Ag2 Br1 88.11(4) . . ? S6 Ag3 S2 124.53(5) . . ? S6 Ag3 S7 116.86(5) . . ? S2 Ag3 S7 113.24(5) . . ? S9 Ag4 S7 118.04(5) . . ? S9 Ag4 S1 126.22(5) . . ? S7 Ag4 S1 115.28(5) . . ? S9 Ag4 Br1 92.90(4) . . ? S7 Ag4 Br1 88.71(4) . . ? S1 Ag4 Br1 94.72(4) . . ? S4 Ag5 S11 120.94(5) . . ? S4 Ag5 S10 124.61(5) . . ? S11 Ag5 S10 113.86(5) . . ? S4 Ag5 Br1 93.55(4) . . ? S11 Ag5 Br1 92.32(4) . . ? S10 Ag5 Br1 91.68(4) . . ? O25 Ag6 S4 102.68(11) . . ? O25 Ag6 S5 105.34(11) . . ? S4 Ag6 S5 111.04(5) . . ? O25 Ag6 S12 107.00(10) . . ? S4 Ag6 S12 115.56(5) . . ? S5 Ag6 S12 113.94(5) . . ? S8 Ag7 S6 124.11(5) . . ? S8 Ag7 S12 116.96(5) . . ? S6 Ag7 S12 118.25(5) . . ? S8 Ag7 Br1 92.48(3) . . ? S6 Ag7 Br1 94.05(3) . . ? S12 Ag7 Br1 91.59(4) . . ? O26 Ag8 S11 104.97(11) . . ? O26 Ag8 S8 107.24(11) . . ? S11 Ag8 S8 117.35(5) . . ? O26 Ag8 S9 107.42(10) . . ? S11 Ag8 S9 111.03(4) . . ? S8 Ag8 S9 108.31(5) . . ? N1 Pd1 N2 91.79(17) . . ? N1 Pd1 S1 84.64(14) . . ? N2 Pd1 S1 175.68(11) . . ? N1 Pd1 S2 173.83(13) . . ? N2 Pd1 S2 85.18(11) . . ? S1 Pd1 S2 98.60(5) . . ? N3 Pd2 N4 91.7(2) . . ? N3 Pd2 S3 85.76(14) . . ? N4 Pd2 S3 172.35(15) . . ? N3 Pd2 S4 172.75(15) . . ? N4 Pd2 S4 85.95(15) . . ? S3 Pd2 S4 97.40(5) . . ? N5 Pd3 N6 93.76(16) . . ? N5 Pd3 S6 176.24(13) . . ? N6 Pd3 S6 84.50(11) . . ? N5 Pd3 S5 85.15(13) . . ? N6 Pd3 S5 177.28(11) . . ? S6 Pd3 S5 96.73(5) . . ? N7 Pd4 N8 91.61(17) . . ? N7 Pd4 S8 174.44(13) . . ? N8 Pd4 S8 84.65(13) . . ? N7 Pd4 S7 85.62(13) . . ? N8 Pd4 S7 176.81(13) . . ? S8 Pd4 S7 98.00(5) . . ? N9 Pd5 N10 92.63(16) . . ? N9 Pd5 S10 175.79(13) . . ? N10 Pd5 S10 85.24(11) . . ? N9 Pd5 S9 85.60(12) . . ? N10 Pd5 S9 172.77(11) . . ? S10 Pd5 S9 96.96(5) . . ? N12 Pd6 N11 91.66(17) . . ? N12 Pd6 S12 86.11(13) . . ? N11 Pd6 S12 175.43(12) . . ? N12 Pd6 S11 175.11(14) . . ? N11 Pd6 S11 84.39(12) . . ? S12 Pd6 S11 98.03(5) . . ? Ag7 Br1 Ag4 109.56(2) . . ? Ag7 Br1 Ag2 108.44(2) . . ? Ag4 Br1 Ag2 108.34(2) . . ? Ag7 Br1 Ag5 111.20(2) . . ? Ag4 Br1 Ag5 108.79(2) . . ? Ag2 Br1 Ag5 110.47(2) . . ? O11 La1 O3 77.43(12) 5_675 4_655 ? O11 La1 O20 137.74(10) 5_675 . ? O3 La1 O20 142.09(12) 4_655 . ? O11 La1 O28 80.70(14) 5_675 . ? O3 La1 O28 98.21(15) 4_655 . ? O20 La1 O28 79.20(14) . . ? O11 La1 O32 143.09(13) 5_675 . ? O3 La1 O32 86.33(14) 4_655 . ? O20 La1 O32 70.88(12) . . ? O28 La1 O32 134.90(17) . . ? O11 La1 O29 75.02(11) 5_675 . ? O3 La1 O29 70.87(12) 4_655 . ? O20 La1 O29 123.45(11) . . ? O28 La1 O29 154.98(14) . . ? O32 La1 O29 68.36(14) . . ? O11 La1 O30 81.47(11) 5_675 . ? O3 La1 O30 137.64(12) 4_655 . ? O20 La1 O30 73.61(11) . . ? O28 La1 O30 114.12(14) . . ? O32 La1 O30 89.14(15) . . ? O29 La1 O30 68.37(10) . . ? O11 La1 O31 132.25(8) 5_675 . ? O3 La1 O31 70.91(10) 4_655 . ? O20 La1 O31 72.84(8) . . ? O28 La1 O31 69.80(12) . . ? O32 La1 O31 69.57(13) . . ? O29 La1 O31 123.80(9) . . ? O30 La1 O31 144.64(8) . . ? O11 La1 O27 67.84(12) 5_675 . ? O3 La1 O27 135.60(13) 4_655 . ? O20 La1 O27 70.64(12) . . ? O28 La1 O27 50.63(13) . . ? O32 La1 O27 137.80(13) . . ? O29 La1 O27 122.31(10) . . ? O30 La1 O27 63.86(9) . . ? O31 La1 O27 113.86(8) . . ? O11 La1 C61 71.23(16) 5_675 . ? O3 La1 C61 118.45(15) 4_655 . ? O20 La1 C61 74.25(17) . . ? O28 La1 C61 26.54(14) . . ? O32 La1 C61 144.38(18) . . ? O29 La1 C61 141.16(14) . . ? O30 La1 C61 87.93(11) . . ? O31 La1 C61 93.49(11) . . ? O27 La1 C61 24.14(10) . . ? C1 S1 Pd1 101.64(16) . . ? C1 S1 Ag1 115.76(17) . . ? Pd1 S1 Ag1 126.21(6) . . ? C1 S1 Ag4 111.88(15) . . ? Pd1 S1 Ag4 116.72(6) . . ? Ag1 S1 Ag4 84.44(4) . . ? C6 S2 Pd1 98.47(17) . . ? C6 S2 Ag3 117.30(17) . . ? Pd1 S2 Ag3 119.86(6) . . ? C6 S2 Ag2 114.08(17) . . ? Pd1 S2 Ag2 122.07(6) . . ? Ag3 S2 Ag2 86.61(4) . . ? C11 S3 Pd2 100.10(18) . . ? C11 S3 Ag1 111.50(17) . . ? Pd2 S3 Ag1 121.11(6) . . ? C11 S3 Ag2 110.74(18) . . ? Pd2 S3 Ag2 120.87(6) . . ? Ag1 S3 Ag2 92.92(5) . . ? C16 S4 Pd2 98.28(18) . . ? C16 S4 Ag5 111.6(2) . . ? Pd2 S4 Ag5 113.28(6) . . ? C16 S4 Ag6 114.0(2) . . ? Pd2 S4 Ag6 122.55(6) . . ? Ag5 S4 Ag6 97.70(5) . . ? C21 S5 Pd3 98.80(18) . . ? C21 S5 Ag2 110.71(18) . . ? Pd3 S5 Ag2 117.27(6) . . ? C21 S5 Ag6 110.64(18) . . ? Pd3 S5 Ag6 116.44(6) . . ? Ag2 S5 Ag6 103.12(5) . . ? C26 S6 Pd3 100.37(18) . . ? C26 S6 Ag3 112.05(17) . . ? Pd3 S6 Ag3 119.60(6) . . ? C26 S6 Ag7 116.56(17) . . ? Pd3 S6 Ag7 117.56(6) . . ? Ag3 S6 Ag7 91.77(5) . . ? C31 S7 Pd4 100.18(16) . . ? C31 S7 Ag3 110.21(18) . . ? Pd4 S7 Ag3 123.72(6) . . ? C31 S7 Ag4 111.91(17) . . ? Pd4 S7 Ag4 113.54(6) . . ? Ag3 S7 Ag4 97.65(5) . . ? C36 S8 Pd4 99.66(18) . . ? C36 S8 Ag7 109.60(18) . . ? Pd4 S8 Ag7 116.01(6) . . ? C36 S8 Ag8 110.61(18) . . ? Pd4 S8 Ag8 120.74(6) . . ? Ag7 S8 Ag8 100.27(5) . . ? C41 S9 Pd5 98.31(17) . . ? C41 S9 Ag4 111.44(17) . . ? Pd5 S9 Ag4 114.23(5) . . ? C41 S9 Ag8 111.18(17) . . ? Pd5 S9 Ag8 118.76(6) . . ? Ag4 S9 Ag8 103.16(5) . . ? C46 S10 Pd5 101.51(15) . . ? C46 S10 Ag1 112.56(15) . . ? Pd5 S10 Ag1 120.53(6) . . ? C46 S10 Ag5 113.47(15) . . ? Pd5 S10 Ag5 120.27(6) . . ? Ag1 S10 Ag5 89.05(5) . . ? C51 S11 Pd6 98.24(15) . . ? C51 S11 Ag5 109.85(16) . . ? Pd6 S11 Ag5 115.60(6) . . ? C51 S11 Ag8 113.49(16) . . ? Pd6 S11 Ag8 116.27(6) . . ? Ag5 S11 Ag8 103.66(5) . . ? C56 S12 Pd6 100.24(17) . . ? C56 S12 Ag7 109.57(16) . . ? Pd6 S12 Ag7 121.42(6) . . ? C56 S12 Ag6 110.65(17) . . ? Pd6 S12 Ag6 116.01(6) . . ? Ag7 S12 Ag6 99.08(5) . . ? C8 O3 La1 148.8(4) . 4_645 ? C18 O7 La3 89.4(5) . . ? C18 O8 La4 120.4(6) . . ? C18 O8 La3 90.6(6) . . ? La4 O8 La3 32.80(14) . . ? C28 O11 La1 136.1(4) . 5_765 ? C48 O20 La1 142.4(3) . . ? C58 O23 La2 176.7(4) . . ? C2 N1 Pd1 116.0(3) . . ? C7 N2 Pd1 115.9(3) . . ? C12 N3 Pd2 112.3(3) . . ? C17 N4 Pd2 110.2(3) . . ? C22 N5 Pd3 115.6(3) . . ? C27 N6 Pd3 115.2(3) . . ? C32 N7 Pd4 115.3(3) . . ? C37 N8 Pd4 113.8(3) . . ? C42 N9 Pd5 113.5(3) . . ? C47 N10 Pd5 111.3(3) . . ? C52 N11 Pd6 120.2(3) . . ? C57 N12 Pd6 115.3(3) . . ? C4 C1 C2 115.7(5) . . ? C4 C1 C5 111.4(4) . . ? C2 C1 C5 106.7(4) . . ? C4 C1 S1 111.4(3) . . ? C2 C1 S1 102.3(3) . . ? C5 C1 S1 108.6(4) . . ? N1 C2 C1 111.1(4) . . ? N1 C2 C3 107.0(4) . . ? C1 C2 C3 109.1(4) . . ? O1 C3 O2 131.1(5) . . ? O1 C3 C2 117.5(5) . . ? O2 C3 C2 111.4(5) . . ? C7 C6 C10 115.9(4) . . ? C7 C6 C9 109.8(4) . . ? C10 C6 C9 114.5(4) . . ? C7 C6 S2 106.0(3) . . ? C10 C6 S2 103.7(3) . . ? C9 C6 S2 106.0(3) . . ? N2 C7 C6 111.8(4) . . ? N2 C7 C8 106.9(4) . . ? C6 C7 C8 112.3(4) . . ? O4 C8 O3 121.3(6) . . ? O4 C8 C7 118.9(6) . . ? O3 C8 C7 119.6(5) . . ? C15 C11 C12 112.4(5) . . ? C15 C11 C14 111.5(5) . . ? C12 C11 C14 112.8(4) . . ? C15 C11 S3 108.0(4) . . ? C12 C11 S3 103.5(4) . . ? C14 C11 S3 108.1(3) . . ? N3 C12 C11 110.9(4) . . ? N3 C12 C13 101.7(4) . . ? C11 C12 C13 113.5(5) . . ? O5 C13 O6 131.1(5) . . ? O5 C13 C12 126.4(5) . . ? O6 C13 C12 102.5(5) . . ? C20 C16 C17 114.0(6) . . ? C20 C16 C19 108.3(5) . . ? C17 C16 C19 116.5(5) . . ? C20 C16 S4 107.6(4) . . ? C17 C16 S4 102.9(4) . . ? C19 C16 S4 106.8(4) . . ? C16 C17 N4 111.8(5) . . ? C16 C17 C18 108.8(5) . . ? N4 C17 C18 100.7(5) . . ? O8 C18 O7 128.4(9) . . ? O8 C18 C17 110.2(7) . . ? O7 C18 C17 121.4(7) . . ? O8 C18 La3 64.8(5) . . ? O7 C18 La3 63.6(5) . . ? C17 C18 La3 174.9(5) . . ? C24 C21 C22 113.7(5) . . ? C24 C21 C25 108.7(4) . . ? C22 C21 C25 118.8(5) . . ? C24 C21 S5 106.1(4) . . ? C22 C21 S5 103.8(4) . . ? C25 C21 S5 104.5(4) . . ? C23 C22 N5 109.2(5) . . ? C23 C22 C21 108.6(5) . . ? N5 C22 C21 110.6(4) . . ? O10 C23 O9 117.5(7) . . ? O10 C23 C22 116.9(7) . . ? O9 C23 C22 124.2(6) . . ? C30 C26 C29 107.5(4) . . ? C30 C26 C27 119.3(4) . . ? C29 C26 C27 111.3(4) . . ? C30 C26 S6 103.3(4) . . ? C29 C26 S6 109.7(4) . . ? C27 C26 S6 105.2(3) . . ? N6 C27 C26 107.9(4) . . ? N6 C27 C28 106.6(4) . . ? C26 C27 C28 113.6(4) . . ? O11 C28 O12 130.6(5) . . ? O11 C28 C27 120.6(5) . . ? O12 C28 C27 108.8(5) . . ? C35 C31 C32 116.6(5) . . ? C35 C31 C34 109.8(4) . . ? C32 C31 C34 111.0(4) . . ? C35 C31 S7 109.0(4) . . ? C32 C31 S7 104.8(3) . . ? C34 C31 S7 104.8(3) . . ? C33 C32 N7 110.9(4) . . ? C33 C32 C31 110.8(4) . . ? N7 C32 C31 108.2(4) . . ? O14 C33 O13 122.7(5) . . ? O14 C33 C32 115.3(5) . . ? O13 C33 C32 121.7(5) . . ? C40 C36 C37 115.2(5) . . ? C40 C36 C39 113.1(5) . . ? C37 C36 C39 109.7(5) . . ? C40 C36 S8 107.0(4) . . ? C37 C36 S8 103.2(3) . . ? C39 C36 S8 107.8(3) . . ? N8 C37 C36 114.4(5) . . ? N8 C37 C38 98.4(5) . . ? C36 C37 C38 114.6(5) . . ? O15 C38 O16 124.9(6) . . ? O15 C38 C37 127.1(6) . . ? O16 C38 C37 107.6(6) . . ? C42 C41 C44 114.6(4) . . ? C42 C41 C45 108.8(4) . . ? C44 C41 C45 110.7(4) . . ? C42 C41 S9 106.6(4) . . ? C44 C41 S9 109.4(3) . . ? C45 C41 S9 106.2(4) . . ? C43 C42 C41 114.5(5) . . ? C43 C42 N9 110.1(4) . . ? C41 C42 N9 107.9(4) . . ? O18 C43 O17 122.4(6) . . ? O18 C43 C42 117.8(6) . . ? O17 C43 C42 119.3(5) . . ? C50 C46 C49 114.2(4) . . ? C50 C46 C47 110.3(4) . . ? C49 C46 C47 111.8(4) . . ? C50 C46 S10 105.0(3) . . ? C49 C46 S10 110.6(3) . . ? C47 C46 S10 104.1(3) . . ? N10 C47 C48 108.3(4) . . ? N10 C47 C46 112.5(4) . . ? C48 C47 C46 114.7(4) . . ? O20 C48 O19 123.0(5) . . ? O20 C48 C47 117.8(4) . . ? O19 C48 C47 119.2(4) . . ? C52 C51 C55 112.3(4) . . ? C52 C51 C54 109.1(4) . . ? C55 C51 C54 109.1(4) . . ? C52 C51 S11 109.6(3) . . ? C55 C51 S11 106.9(4) . . ? C54 C51 S11 109.7(3) . . ? C53 C52 C51 113.9(4) . . ? C53 C52 N11 118.9(4) . . ? C51 C52 N11 106.3(4) . . ? O22 C53 O21 120.0(5) . . ? O22 C53 C52 129.2(5) . . ? O21 C53 C52 110.8(5) . . ? C59 C56 C57 111.2(4) . . ? C59 C56 C60 114.3(5) . . ? C57 C56 C60 104.1(5) . . ? C59 C56 S12 111.0(4) . . ? C57 C56 S12 106.7(4) . . ? C60 C56 S12 109.0(4) . . ? C56 C57 C58 118.6(5) . . ? C56 C57 N12 107.6(4) . . ? C58 C57 N12 111.9(4) . . ? O24 C58 O23 125.2(6) . . ? O24 C58 C57 122.0(5) . . ? O23 C58 C57 112.2(5) . . ? C61 O27 La1 93.1(4) . . ? C61 O28 La1 95.7(3) . . ? O27 C61 O28 120.3(6) . . ? O27 C61 C62 119.7(6) . . ? O28 C61 C62 118.2(4) . . ? O27 C61 La1 62.7(4) . . ? O28 C61 La1 57.7(3) . . ? C62 C61 La1 170.4(5) . . ? La2 La2 O23 137.00(16) 6_556 . ? La4 La3 O39 145.1(3) . 5_775 ? La4 La3 O39 82.9(3) . . ? O39 La3 O39 91.0(3) 5_775 . ? La4 La3 O7 105.7(3) . . ? O39 La3 O7 62.5(2) 5_775 . ? O39 La3 O7 145.3(2) . . ? La4 La3 O8 57.4(2) . . ? O39 La3 O8 112.7(3) 5_775 . ? O39 La3 O8 137.7(2) . . ? O7 La3 O8 51.60(19) . . ? La4 La3 O52 63.2(3) . 8_655 ? O39 La3 O52 144.7(3) 5_775 8_655 ? O39 La3 O52 119.0(3) . 8_655 ? O7 La3 O52 94.2(2) . 8_655 ? O8 La3 O52 58.0(2) . 8_655 ? La4 La3 La3 103.0(2) . 5_775 ? O39 La3 La3 54.9(2) 5_775 5_775 ? O39 La3 La3 40.88(18) . 5_775 ? O7 La3 La3 104.90(19) . 5_775 ? O8 La3 La3 129.67(15) . 5_775 ? O52 La3 La3 159.3(3) 8_655 5_775 ? La4 La3 C18 80.4(3) . . ? O39 La3 C18 88.8(3) 5_775 . ? O39 La3 C18 150.2(3) . . ? O7 La3 C18 27.0(2) . . ? O8 La3 C18 24.6(2) . . ? O52 La3 C18 74.2(2) 8_655 . ? La3 La3 C18 120.7(2) 5_775 . ? O8 La4 O52 67.6(3) . 8_655 ? O8 La4 O39 149.7(3) . . ? O52 La4 O39 121.1(3) 8_655 . ? O8 La4 La4 102.4(2) . 5_775 ? O52 La4 La4 143.8(2) 8_655 5_775 ? O39 La4 La4 52.19(16) . 5_775 ? La3 O39 La3 84.2(3) 5_775 . ? 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 S8 Ag7 Br1 Ag4 -29.78(4) . . . . ? S6 Ag7 Br1 Ag4 94.67(4) . . . . ? S12 Ag7 Br1 Ag4 -146.86(4) . . . . ? S8 Ag7 Br1 Ag2 -147.84(4) . . . . ? S6 Ag7 Br1 Ag2 -23.39(4) . . . . ? S12 Ag7 Br1 Ag2 95.08(4) . . . . ? S8 Ag7 Br1 Ag5 90.51(4) . . . . ? S6 Ag7 Br1 Ag5 -145.03(4) . . . . ? S12 Ag7 Br1 Ag5 -26.57(4) . . . . ? S9 Ag4 Br1 Ag7 87.00(4) . . . . ? S7 Ag4 Br1 Ag7 -31.01(4) . . . . ? S1 Ag4 Br1 Ag7 -146.27(4) . . . . ? S9 Ag4 Br1 Ag2 -154.87(4) . . . . ? S7 Ag4 Br1 Ag2 87.11(4) . . . . ? S1 Ag4 Br1 Ag2 -28.15(4) . . . . ? S9 Ag4 Br1 Ag5 -34.75(4) . . . . ? S7 Ag4 Br1 Ag5 -152.76(4) . . . . ? S1 Ag4 Br1 Ag5 91.97(4) . . . . ? S5 Ag2 Br1 Ag7 -35.67(4) . . . . ? S2 Ag2 Br1 Ag7 90.91(4) . . . . ? S3 Ag2 Br1 Ag7 -150.74(4) . . . . ? S5 Ag2 Br1 Ag4 -154.51(4) . . . . ? S2 Ag2 Br1 Ag4 -27.93(4) . . . . ? S3 Ag2 Br1 Ag4 90.42(4) . . . . ? S5 Ag2 Br1 Ag5 86.42(4) . . . . ? S2 Ag2 Br1 Ag5 -147.00(4) . . . . ? S3 Ag2 Br1 Ag5 -28.65(4) . . . . ? S4 Ag5 Br1 Ag7 90.24(4) . . . . ? S11 Ag5 Br1 Ag7 -30.96(4) . . . . ? S10 Ag5 Br1 Ag7 -144.93(4) . . . . ? S4 Ag5 Br1 Ag4 -149.01(4) . . . . ? S11 Ag5 Br1 Ag4 89.79(4) . . . . ? S10 Ag5 Br1 Ag4 -24.18(4) . . . . ? S4 Ag5 Br1 Ag2 -30.22(4) . . . . ? S11 Ag5 Br1 Ag2 -151.42(4) . . . . ? S10 Ag5 Br1 Ag2 94.61(4) . . . . ? N1 Pd1 S1 C1 9.0(2) . . . . ? S2 Pd1 S1 C1 -176.29(16) . . . . ? N1 Pd1 S1 Ag1 -125.48(15) . . . . ? S2 Pd1 S1 Ag1 49.22(8) . . . . ? N1 Pd1 S1 Ag4 130.98(14) . . . . ? S2 Pd1 S1 Ag4 -54.31(7) . . . . ? S3 Ag1 S1 C1 -131.10(17) . . . . ? S10 Ag1 S1 C1 64.18(18) . . . . ? S3 Ag1 S1 Pd1 -1.98(9) . . . . ? S10 Ag1 S1 Pd1 -166.70(6) . . . . ? S3 Ag1 S1 Ag4 117.26(5) . . . . ? S10 Ag1 S1 Ag4 -47.45(6) . . . . ? S9 Ag4 S1 C1 -60.16(19) . . . . ? S7 Ag4 S1 C1 111.95(18) . . . . ? Br1 Ag4 S1 C1 -157.25(17) . . . . ? S9 Ag4 S1 Pd1 -176.62(5) . . . . ? S7 Ag4 S1 Pd1 -4.51(8) . . . . ? Br1 Ag4 S1 Pd1 86.29(6) . . . . ? S9 Ag4 S1 Ag1 55.39(6) . . . . ? S7 Ag4 S1 Ag1 -132.50(5) . . . . ? Br1 Ag4 S1 Ag1 -41.69(4) . . . . ? N2 Pd1 S2 C6 16.7(2) . . . . ? S1 Pd1 S2 C6 -165.44(17) . . . . ? N2 Pd1 S2 Ag3 -111.65(12) . . . . ? S1 Pd1 S2 Ag3 66.23(7) . . . . ? N2 Pd1 S2 Ag2 142.14(12) . . . . ? S1 Pd1 S2 Ag2 -39.98(7) . . . . ? S6 Ag3 S2 C6 74.0(2) . . . . ? S7 Ag3 S2 C6 -132.81(19) . . . . ? S6 Ag3 S2 Pd1 -166.82(6) . . . . ? S7 Ag3 S2 Pd1 -13.64(9) . . . . ? S6 Ag3 S2 Ag2 -41.42(7) . . . . ? S7 Ag3 S2 Ag2 111.76(5) . . . . ? S5 Ag2 S2 C6 -66.40(19) . . . . ? S3 Ag2 S2 C6 105.45(18) . . . . ? Br1 Ag2 S2 C6 -163.26(18) . . . . ? S5 Ag2 S2 Pd1 175.54(6) . . . . ? S3 Ag2 S2 Pd1 -12.61(9) . . . . ? Br1 Ag2 S2 Pd1 78.68(6) . . . . ? S5 Ag2 S2 Ag3 52.08(7) . . . . ? S3 Ag2 S2 Ag3 -136.08(5) . . . . ? Br1 Ag2 S2 Ag3 -44.78(4) . . . . ? N3 Pd2 S3 C11 13.5(2) . . . . ? S4 Pd2 S3 C11 -173.08(17) . . . . ? N3 Pd2 S3 Ag1 -109.35(16) . . . . ? S4 Pd2 S3 Ag1 64.09(7) . . . . ? N3 Pd2 S3 Ag2 135.18(16) . . . . ? S4 Pd2 S3 Ag2 -51.38(8) . . . . ? S10 Ag1 S3 C11 -128.84(19) . . . . ? S1 Ag1 S3 C11 65.8(2) . . . . ? S10 Ag1 S3 Pd2 -11.60(9) . . . . ? S1 Ag1 S3 Pd2 -176.94(6) . . . . ? S10 Ag1 S3 Ag2 117.51(5) . . . . ? S1 Ag1 S3 Ag2 -47.83(6) . . . . ? S5 Ag2 S3 C11 113.63(18) . . . . ? S2 Ag2 S3 C11 -59.09(19) . . . . ? Br1 Ag2 S3 C11 -155.31(18) . . . . ? S5 Ag2 S3 Pd2 -2.77(9) . . . . ? S2 Ag2 S3 Pd2 -175.50(6) . . . . ? Br1 Ag2 S3 Pd2 88.28(6) . . . . ? S5 Ag2 S3 Ag1 -132.06(5) . . . . ? S2 Ag2 S3 Ag1 55.22(6) . . . . ? Br1 Ag2 S3 Ag1 -41.01(4) . . . . ? N4 Pd2 S4 C16 18.7(3) . . . . ? S3 Pd2 S4 C16 -168.2(2) . . . . ? N4 Pd2 S4 Ag5 136.61(15) . . . . ? S3 Pd2 S4 Ag5 -50.31(7) . . . . ? N4 Pd2 S4 Ag6 -106.80(15) . . . . ? S3 Pd2 S4 Ag6 66.29(8) . . . . ? S11 Ag5 S4 C16 -69.9(2) . . . . ? S10 Ag5 S4 C16 100.8(2) . . . . ? Br1 Ag5 S4 C16 -164.7(2) . . . . ? S11 Ag5 S4 Pd2 -179.68(5) . . . . ? S10 Ag5 S4 Pd2 -9.04(9) . . . . ? Br1 Ag5 S4 Pd2 85.47(6) . . . . ? S11 Ag5 S4 Ag6 49.84(7) . . . . ? S10 Ag5 S4 Ag6 -139.52(5) . . . . ? Br1 Ag5 S4 Ag6 -45.01(4) . . . . ? O25 Ag6 S4 C16 -28.2(2) . . . . ? S5 Ag6 S4 C16 -140.3(2) . . . . ? S12 Ag6 S4 C16 87.9(2) . . . . ? O25 Ag6 S4 Pd2 89.97(12) . . . . ? S5 Ag6 S4 Pd2 -22.18(9) . . . . ? S12 Ag6 S4 Pd2 -153.93(7) . . . . ? O25 Ag6 S4 Ag5 -146.01(11) . . . . ? S5 Ag6 S4 Ag5 101.84(5) . . . . ? S12 Ag6 S4 Ag5 -29.92(7) . . . . ? N5 Pd3 S5 C21 16.8(2) . . . . ? S6 Pd3 S5 C21 -166.47(18) . . . . ? N5 Pd3 S5 Ag2 135.65(14) . . . . ? S6 Pd3 S5 Ag2 -47.63(7) . . . . ? N5 Pd3 S5 Ag6 -101.57(14) . . . . ? S6 Pd3 S5 Ag6 75.15(7) . . . . ? S2 Ag2 S5 C21 101.88(19) . . . . ? S3 Ag2 S5 C21 -70.20(19) . . . . ? Br1 Ag2 S5 C21 -158.93(19) . . . . ? S2 Ag2 S5 Pd3 -10.38(9) . . . . ? S3 Ag2 S5 Pd3 177.54(6) . . . . ? Br1 Ag2 S5 Pd3 88.81(6) . . . . ? S2 Ag2 S5 Ag6 -139.75(5) . . . . ? S3 Ag2 S5 Ag6 48.17(7) . . . . ? Br1 Ag2 S5 Ag6 -40.57(5) . . . . ? O25 Ag6 S5 C21 -28.5(2) . . . . ? S4 Ag6 S5 C21 82.0(2) . . . . ? S12 Ag6 S5 C21 -145.43(19) . . . . ? O25 Ag6 S5 Pd3 83.24(12) . . . . ? S4 Ag6 S5 Pd3 -166.30(6) . . . . ? S12 Ag6 S5 Pd3 -33.73(8) . . . . ? O25 Ag6 S5 Ag2 -146.87(11) . . . . ? S4 Ag6 S5 Ag2 -36.42(7) . . . . ? S12 Ag6 S5 Ag2 96.16(6) . . . . ? N6 Pd3 S6 C26 3.5(2) . . . . ? S5 Pd3 S6 C26 -178.95(17) . . . . ? N6 Pd3 S6 Ag3 -119.39(12) . . . . ? S5 Pd3 S6 Ag3 58.17(7) . . . . ? N6 Pd3 S6 Ag7 130.94(12) . . . . ? S5 Pd3 S6 Ag7 -51.50(7) . . . . ? S2 Ag3 S6 C26 -127.38(19) . . . . ? S7 Ag3 S6 C26 80.31(19) . . . . ? S2 Ag3 S6 Pd3 -10.42(10) . . . . ? S7 Ag3 S6 Pd3 -162.73(6) . . . . ? S2 Ag3 S6 Ag7 112.94(6) . . . . ? S7 Ag3 S6 Ag7 -39.37(6) . . . . ? S8 Ag7 S6 C26 -61.0(2) . . . . ? S12 Ag7 S6 C26 109.2(2) . . . . ? Br1 Ag7 S6 C26 -156.8(2) . . . . ? S8 Ag7 S6 Pd3 179.79(5) . . . . ? S12 Ag7 S6 Pd3 -9.97(8) . . . . ? Br1 Ag7 S6 Pd3 84.03(6) . . . . ? S8 Ag7 S6 Ag3 54.79(6) . . . . ? S12 Ag7 S6 Ag3 -134.97(5) . . . . ? Br1 Ag7 S6 Ag3 -40.97(4) . . . . ? N7 Pd4 S7 C31 8.6(2) . . . . ? S8 Pd4 S7 C31 -175.67(18) . . . . ? N7 Pd4 S7 Ag3 -114.24(14) . . . . ? S8 Pd4 S7 Ag3 61.52(8) . . . . ? N7 Pd4 S7 Ag4 128.03(13) . . . . ? S8 Pd4 S7 Ag4 -56.21(7) . . . . ? S6 Ag3 S7 C31 -132.75(17) . . . . ? S2 Ag3 S7 C31 71.87(17) . . . . ? S6 Ag3 S7 Pd4 -14.59(9) . . . . ? S2 Ag3 S7 Pd4 -169.96(6) . . . . ? S6 Ag3 S7 Ag4 110.46(5) . . . . ? S2 Ag3 S7 Ag4 -44.92(6) . . . . ? S9 Ag4 S7 C31 111.38(18) . . . . ? S1 Ag4 S7 C31 -61.41(19) . . . . ? Br1 Ag4 S7 C31 -156.02(18) . . . . ? S9 Ag4 S7 Pd4 -1.14(8) . . . . ? S1 Ag4 S7 Pd4 -173.93(5) . . . . ? Br1 Ag4 S7 Pd4 91.46(6) . . . . ? S9 Ag4 S7 Ag3 -133.17(5) . . . . ? S1 Ag4 S7 Ag3 54.04(6) . . . . ? Br1 Ag4 S7 Ag3 -40.57(4) . . . . ? N8 Pd4 S8 C36 15.8(2) . . . . ? S7 Pd4 S8 C36 -162.43(18) . . . . ? N8 Pd4 S8 Ag7 133.27(15) . . . . ? S7 Pd4 S8 Ag7 -44.94(7) . . . . ? N8 Pd4 S8 Ag8 -105.33(15) . . . . ? S7 Pd4 S8 Ag8 76.46(7) . . . . ? S6 Ag7 S8 C36 99.52(19) . . . . ? S12 Ag7 S8 C36 -70.8(2) . . . . ? Br1 Ag7 S8 C36 -163.89(19) . . . . ? S6 Ag7 S8 Pd4 -12.31(8) . . . . ? S12 Ag7 S8 Pd4 177.34(5) . . . . ? Br1 Ag7 S8 Pd4 84.28(6) . . . . ? S6 Ag7 S8 Ag8 -144.10(5) . . . . ? S12 Ag7 S8 Ag8 45.55(6) . . . . ? Br1 Ag7 S8 Ag8 -47.51(4) . . . . ? O26 Ag8 S8 C36 -27.2(2) . . . . ? S11 Ag8 S8 C36 90.5(2) . . . . ? S9 Ag8 S8 C36 -142.87(19) . . . . ? O26 Ag8 S8 Pd4 88.37(12) . . . . ? S11 Ag8 S8 Pd4 -153.91(6) . . . . ? S9 Ag8 S8 Pd4 -27.27(8) . . . . ? O26 Ag8 S8 Ag7 -142.85(11) . . . . ? S11 Ag8 S8 Ag7 -25.14(6) . . . . ? S9 Ag8 S8 Ag7 101.50(5) . . . . ? N9 Pd5 S9 C41 15.6(2) . . . . ? S10 Pd5 S9 C41 -167.72(17) . . . . ? N9 Pd5 S9 Ag4 133.73(13) . . . . ? S10 Pd5 S9 Ag4 -49.63(7) . . . . ? N9 Pd5 S9 Ag8 -104.14(13) . . . . ? S10 Pd5 S9 Ag8 72.50(7) . . . . ? S7 Ag4 S9 C41 -70.85(18) . . . . ? S1 Ag4 S9 C41 101.06(18) . . . . ? Br1 Ag4 S9 C41 -160.94(18) . . . . ? S7 Ag4 S9 Pd5 178.84(5) . . . . ? S1 Ag4 S9 Pd5 -9.24(9) . . . . ? Br1 Ag4 S9 Pd5 88.76(6) . . . . ? S7 Ag4 S9 Ag8 48.52(7) . . . . ? S1 Ag4 S9 Ag8 -139.56(5) . . . . ? Br1 Ag4 S9 Ag8 -41.56(4) . . . . ? O26 Ag8 S9 C41 -29.7(2) . . . . ? S11 Ag8 S9 C41 -143.91(19) . . . . ? S8 Ag8 S9 C41 85.87(19) . . . . ? O26 Ag8 S9 Pd5 83.26(13) . . . . ? S11 Ag8 S9 Pd5 -30.99(8) . . . . ? S8 Ag8 S9 Pd5 -161.21(6) . . . . ? O26 Ag8 S9 Ag4 -149.22(12) . . . . ? S11 Ag8 S9 Ag4 96.54(5) . . . . ? S8 Ag8 S9 Ag4 -33.68(6) . . . . ? N10 Pd5 S10 C46 10.57(18) . . . . ? S9 Pd5 S10 C46 -176.35(15) . . . . ? N10 Pd5 S10 Ag1 -114.52(12) . . . . ? S9 Pd5 S10 Ag1 58.56(7) . . . . ? N10 Pd5 S10 Ag5 136.69(12) . . . . ? S9 Pd5 S10 Ag5 -50.23(7) . . . . ? S3 Ag1 S10 C46 72.24(17) . . . . ? S1 Ag1 S10 C46 -123.33(16) . . . . ? S3 Ag1 S10 Pd5 -168.02(6) . . . . ? S1 Ag1 S10 Pd5 -3.60(9) . . . . ? S3 Ag1 S10 Ag5 -42.88(6) . . . . ? S1 Ag1 S10 Ag5 121.55(5) . . . . ? S4 Ag5 S10 C46 -59.19(17) . . . . ? S11 Ag5 S10 C46 112.04(16) . . . . ? Br1 Ag5 S10 C46 -154.67(16) . . . . ? S4 Ag5 S10 Pd5 -179.55(6) . . . . ? S11 Ag5 S10 Pd5 -8.32(8) . . . . ? Br1 Ag5 S10 Pd5 84.97(6) . . . . ? S4 Ag5 S10 Ag1 55.09(7) . . . . ? S11 Ag5 S10 Ag1 -133.68(5) . . . . ? Br1 Ag5 S10 Ag1 -40.39(4) . . . . ? N11 Pd6 S11 C51 15.2(2) . . . . ? S12 Pd6 S11 C51 -168.75(16) . . . . ? N11 Pd6 S11 Ag5 131.88(13) . . . . ? S12 Pd6 S11 Ag5 -52.03(7) . . . . ? N11 Pd6 S11 Ag8 -106.22(13) . . . . ? S12 Pd6 S11 Ag8 69.87(6) . . . . ? S4 Ag5 S11 C51 100.59(17) . . . . ? S10 Ag5 S11 C51 -71.00(17) . . . . ? Br1 Ag5 S11 C51 -163.87(17) . . . . ? S4 Ag5 S11 Pd6 -9.40(9) . . . . ? S10 Ag5 S11 Pd6 179.01(5) . . . . ? Br1 Ag5 S11 Pd6 86.14(6) . . . . ? S4 Ag5 S11 Ag8 -137.83(5) . . . . ? S10 Ag5 S11 Ag8 50.59(6) . . . . ? Br1 Ag5 S11 Ag8 -42.28(4) . . . . ? O26 Ag8 S11 C51 -29.0(2) . . . . ? S8 Ag8 S11 C51 -147.91(16) . . . . ? S9 Ag8 S11 C51 86.79(17) . . . . ? O26 Ag8 S11 Pd6 83.90(12) . . . . ? S8 Ag8 S11 Pd6 -35.03(8) . . . . ? S9 Ag8 S11 Pd6 -160.33(5) . . . . ? O26 Ag8 S11 Ag5 -148.09(11) . . . . ? S8 Ag8 S11 Ag5 92.98(6) . . . . ? S9 Ag8 S11 Ag5 -32.32(6) . . . . ? N12 Pd6 S12 C56 14.8(2) . . . . ? S11 Pd6 S12 C56 -167.82(17) . . . . ? N12 Pd6 S12 Ag7 135.42(14) . . . . ? S11 Pd6 S12 Ag7 -47.20(7) . . . . ? N12 Pd6 S12 Ag6 -104.33(14) . . . . ? S11 Pd6 S12 Ag6 73.05(7) . . . . ? S8 Ag7 S12 C56 105.06(18) . . . . ? S6 Ag7 S12 C56 -65.88(18) . . . . ? Br1 Ag7 S12 C56 -161.34(18) . . . . ? S8 Ag7 S12 Pd6 -10.94(8) . . . . ? S6 Ag7 S12 Pd6 178.13(6) . . . . ? Br1 Ag7 S12 Pd6 82.66(6) . . . . ? S8 Ag7 S12 Ag6 -139.11(5) . . . . ? S6 Ag7 S12 Ag6 49.96(6) . . . . ? Br1 Ag7 S12 Ag6 -45.50(4) . . . . ? O25 Ag6 S12 C56 -30.0(2) . . . . ? S4 Ag6 S12 C56 -143.60(17) . . . . ? S5 Ag6 S12 C56 86.03(18) . . . . ? O25 Ag6 S12 Pd6 83.30(12) . . . . ? S4 Ag6 S12 Pd6 -30.33(8) . . . . ? S5 Ag6 S12 Pd6 -160.70(6) . . . . ? O25 Ag6 S12 Ag7 -144.99(11) . . . . ? S4 Ag6 S12 Ag7 101.38(6) . . . . ? S5 Ag6 S12 Ag7 -28.99(6) . . . . ? O11 La1 O20 C48 40.3(6) 5_675 . . . ? O3 La1 O20 C48 -167.2(5) 4_655 . . . ? O28 La1 O20 C48 103.3(5) . . . . ? O32 La1 O20 C48 -110.9(6) . . . . ? O29 La1 O20 C48 -65.1(6) . . . . ? O30 La1 O20 C48 -16.0(5) . . . . ? O31 La1 O20 C48 175.3(5) . . . . ? O27 La1 O20 C48 51.4(5) . . . . ? C61 La1 O20 C48 76.5(5) . . . . ? N2 Pd1 N1 C2 -163.5(4) . . . . ? S1 Pd1 N1 C2 19.0(3) . . . . ? N1 Pd1 N2 C7 -177.0(3) . . . . ? S2 Pd1 N2 C7 8.4(3) . . . . ? N4 Pd2 N3 C12 -172.3(4) . . . . ? S3 Pd2 N3 C12 14.9(4) . . . . ? N3 Pd2 N4 C17 -176.9(4) . . . . ? S4 Pd2 N4 C17 10.0(4) . . . . ? N6 Pd3 N5 C22 -171.7(3) . . . . ? S5 Pd3 N5 C22 10.8(3) . . . . ? N5 Pd3 N6 C27 -155.9(3) . . . . ? S6 Pd3 N6 C27 27.4(3) . . . . ? N8 Pd4 N7 C32 -158.0(4) . . . . ? S7 Pd4 N7 C32 20.4(3) . . . . ? N7 Pd4 N8 C37 -173.7(4) . . . . ? S8 Pd4 N8 C37 10.4(4) . . . . ? N10 Pd5 N9 C42 -174.8(3) . . . . ? S9 Pd5 N9 C42 12.2(3) . . . . ? N9 Pd5 N10 C47 -166.2(3) . . . . ? S10 Pd5 N10 C47 17.4(3) . . . . ? N12 Pd6 N11 C52 -172.7(4) . . . . ? S11 Pd6 N11 C52 10.2(3) . . . . ? N11 Pd6 N12 C57 -172.5(3) . . . . ? S12 Pd6 N12 C57 11.4(3) . . . . ? Pd1 S1 C1 C4 90.0(4) . . . . ? Ag1 S1 C1 C4 -129.7(3) . . . . ? Ag4 S1 C1 C4 -35.2(4) . . . . ? Pd1 S1 C1 C2 -34.2(3) . . . . ? Ag1 S1 C1 C2 106.0(3) . . . . ? Ag4 S1 C1 C2 -159.5(3) . . . . ? Pd1 S1 C1 C5 -146.8(3) . . . . ? Ag1 S1 C1 C5 -6.6(4) . . . . ? Ag4 S1 C1 C5 87.9(3) . . . . ? Pd1 N1 C2 C1 -50.0(5) . . . . ? Pd1 N1 C2 C3 -168.9(3) . . . . ? C4 C1 C2 N1 -69.0(6) . . . . ? C5 C1 C2 N1 166.4(4) . . . . ? S1 C1 C2 N1 52.4(5) . . . . ? C4 C1 C2 C3 48.7(6) . . . . ? C5 C1 C2 C3 -76.0(5) . . . . ? S1 C1 C2 C3 170.0(3) . . . . ? N1 C2 C3 O1 28.7(6) . . . . ? C1 C2 C3 O1 -91.5(6) . . . . ? N1 C2 C3 O2 -152.2(4) . . . . ? C1 C2 C3 O2 87.5(5) . . . . ? Pd1 S2 C6 C7 -40.4(3) . . . . ? Ag3 S2 C6 C7 89.7(3) . . . . ? Ag2 S2 C6 C7 -171.2(3) . . . . ? Pd1 S2 C6 C10 -162.8(3) . . . . ? Ag3 S2 C6 C10 -32.8(4) . . . . ? Ag2 S2 C6 C10 66.3(4) . . . . ? Pd1 S2 C6 C9 76.3(3) . . . . ? Ag3 S2 C6 C9 -153.7(3) . . . . ? Ag2 S2 C6 C9 -54.6(4) . . . . ? Pd1 N2 C7 C6 -39.3(5) . . . . ? Pd1 N2 C7 C8 -162.5(3) . . . . ? C10 C6 C7 N2 166.9(4) . . . . ? C9 C6 C7 N2 -61.6(5) . . . . ? S2 C6 C7 N2 52.5(4) . . . . ? C10 C6 C7 C8 -72.9(6) . . . . ? C9 C6 C7 C8 58.6(6) . . . . ? S2 C6 C7 C8 172.7(4) . . . . ? La1 O3 C8 O4 -17.7(12) 4_645 . . . ? La1 O3 C8 C7 158.1(5) 4_645 . . . ? N2 C7 C8 O4 -168.1(5) . . . . ? C6 C7 C8 O4 68.9(7) . . . . ? N2 C7 C8 O3 16.0(7) . . . . ? C6 C7 C8 O3 -107.1(6) . . . . ? Pd2 S3 C11 C15 -159.3(4) . . . . ? Ag1 S3 C11 C15 -29.9(4) . . . . ? Ag2 S3 C11 C15 72.1(4) . . . . ? Pd2 S3 C11 C12 -40.0(4) . . . . ? Ag1 S3 C11 C12 89.4(4) . . . . ? Ag2 S3 C11 C12 -168.6(3) . . . . ? Pd2 S3 C11 C14 79.9(4) . . . . ? Ag1 S3 C11 C14 -150.7(3) . . . . ? Ag2 S3 C11 C14 -48.7(4) . . . . ? Pd2 N3 C12 C11 -47.9(5) . . . . ? Pd2 N3 C12 C13 -168.9(3) . . . . ? C15 C11 C12 N3 173.7(4) . . . . ? C14 C11 C12 N3 -59.2(6) . . . . ? S3 C11 C12 N3 57.4(5) . . . . ? C15 C11 C12 C13 -72.5(6) . . . . ? C14 C11 C12 C13 54.6(6) . . . . ? S3 C11 C12 C13 171.2(4) . . . . ? N3 C12 C13 O5 29.9(8) . . . . ? C11 C12 C13 O5 -89.4(8) . . . . ? N3 C12 C13 O6 -153.3(5) . . . . ? C11 C12 C13 O6 87.5(6) . . . . ? Pd2 S4 C16 C20 -166.3(4) . . . . ? Ag5 S4 C16 C20 74.6(5) . . . . ? Ag6 S4 C16 C20 -34.9(5) . . . . ? Pd2 S4 C16 C17 -45.6(4) . . . . ? Ag5 S4 C16 C17 -164.7(3) . . . . ? Ag6 S4 C16 C17 85.8(4) . . . . ? Pd2 S4 C16 C19 77.7(4) . . . . ? Ag5 S4 C16 C19 -41.5(4) . . . . ? Ag6 S4 C16 C19 -151.0(3) . . . . ? C20 C16 C17 N4 177.9(5) . . . . ? C19 C16 C17 N4 -54.9(6) . . . . ? S4 C16 C17 N4 61.7(5) . . . . ? C20 C16 C17 C18 -71.8(7) . . . . ? C19 C16 C17 C18 55.5(7) . . . . ? S4 C16 C17 C18 172.0(4) . . . . ? Pd2 N4 C17 C16 -45.8(5) . . . . ? Pd2 N4 C17 C18 -161.1(4) . . . . ? La4 O8 C18 O7 -13.1(12) . . . . ? La3 O8 C18 O7 1.3(9) . . . . ? La4 O8 C18 C17 166.9(4) . . . . ? La3 O8 C18 C17 -178.8(5) . . . . ? La4 O8 C18 La3 -14.3(3) . . . . ? La3 O7 C18 O8 -1.3(9) . . . . ? La3 O7 C18 C17 178.8(6) . . . . ? C16 C17 C18 O8 84.8(7) . . . . ? N4 C17 C18 O8 -157.5(6) . . . . ? C16 C17 C18 O7 -95.2(8) . . . . ? N4 C17 C18 O7 22.4(8) . . . . ? Pd3 S5 C21 C24 78.3(3) . . . . ? Ag2 S5 C21 C24 -45.4(4) . . . . ? Ag6 S5 C21 C24 -159.0(3) . . . . ? Pd3 S5 C21 C22 -41.8(4) . . . . ? Ag2 S5 C21 C22 -165.4(3) . . . . ? Ag6 S5 C21 C22 80.9(4) . . . . ? Pd3 S5 C21 C25 -166.9(3) . . . . ? Ag2 S5 C21 C25 69.5(4) . . . . ? Ag6 S5 C21 C25 -44.2(4) . . . . ? Pd3 N5 C22 C23 -163.1(4) . . . . ? Pd3 N5 C22 C21 -43.6(5) . . . . ? C24 C21 C22 C23 60.7(6) . . . . ? C25 C21 C22 C23 -69.1(6) . . . . ? S5 C21 C22 C23 175.5(4) . . . . ? C24 C21 C22 N5 -59.1(6) . . . . ? C25 C21 C22 N5 171.1(4) . . . . ? S5 C21 C22 N5 55.7(5) . . . . ? N5 C22 C23 O10 -150.5(6) . . . . ? C21 C22 C23 O10 88.8(7) . . . . ? N5 C22 C23 O9 15.4(9) . . . . ? C21 C22 C23 O9 -105.3(7) . . . . ? Pd3 S6 C26 C30 -156.0(3) . . . . ? Ag3 S6 C26 C30 -28.0(4) . . . . ? Ag7 S6 C26 C30 75.9(4) . . . . ? Pd3 S6 C26 C29 89.6(3) . . . . ? Ag3 S6 C26 C29 -142.3(3) . . . . ? Ag7 S6 C26 C29 -38.5(4) . . . . ? Pd3 S6 C26 C27 -30.2(3) . . . . ? Ag3 S6 C26 C27 97.9(3) . . . . ? Ag7 S6 C26 C27 -158.3(3) . . . . ? Pd3 N6 C27 C26 -55.2(4) . . . . ? Pd3 N6 C27 C28 -177.6(3) . . . . ? C30 C26 C27 N6 168.7(4) . . . . ? C29 C26 C27 N6 -65.3(5) . . . . ? S6 C26 C27 N6 53.4(4) . . . . ? C30 C26 C27 C28 -73.3(6) . . . . ? C29 C26 C27 C28 52.8(6) . . . . ? S6 C26 C27 C28 171.5(3) . . . . ? La1 O11 C28 O12 77.6(9) 5_765 . . . ? La1 O11 C28 C27 -102.0(6) 5_765 . . . ? N6 C27 C28 O11 6.9(7) . . . . ? C26 C27 C28 O11 -111.9(6) . . . . ? N6 C27 C28 O12 -172.9(4) . . . . ? C26 C27 C28 O12 68.4(6) . . . . ? Pd4 S7 C31 C35 -161.3(3) . . . . ? Ag3 S7 C31 C35 -29.4(4) . . . . ? Ag4 S7 C31 C35 78.1(4) . . . . ? Pd4 S7 C31 C32 -35.7(4) . . . . ? Ag3 S7 C31 C32 96.2(3) . . . . ? Ag4 S7 C31 C32 -156.3(3) . . . . ? Pd4 S7 C31 C34 81.3(3) . . . . ? Ag3 S7 C31 C34 -146.9(3) . . . . ? Ag4 S7 C31 C34 -39.4(3) . . . . ? Pd4 N7 C32 C33 -172.2(3) . . . . ? Pd4 N7 C32 C31 -50.5(5) . . . . ? C35 C31 C32 C33 -63.6(6) . . . . ? C34 C31 C32 C33 63.1(6) . . . . ? S7 C31 C32 C33 175.8(4) . . . . ? C35 C31 C32 N7 174.7(4) . . . . ? C34 C31 C32 N7 -58.7(5) . . . . ? S7 C31 C32 N7 54.0(5) . . . . ? N7 C32 C33 O14 -156.7(5) . . . . ? C31 C32 C33 O14 83.1(6) . . . . ? N7 C32 C33 O13 17.5(7) . . . . ? C31 C32 C33 O13 -102.7(6) . . . . ? Pd4 S8 C36 C40 -161.4(3) . . . . ? Ag7 S8 C36 C40 76.4(4) . . . . ? Ag8 S8 C36 C40 -33.3(4) . . . . ? Pd4 S8 C36 C37 -39.4(4) . . . . ? Ag7 S8 C36 C37 -161.6(3) . . . . ? Ag8 S8 C36 C37 88.7(4) . . . . ? Pd4 S8 C36 C39 76.6(4) . . . . ? Ag7 S8 C36 C39 -45.6(4) . . . . ? Ag8 S8 C36 C39 -155.2(3) . . . . ? Pd4 N8 C37 C36 -43.4(6) . . . . ? Pd4 N8 C37 C38 -165.4(4) . . . . ? C40 C36 C37 N8 171.4(4) . . . . ? C39 C36 C37 N8 -59.6(6) . . . . ? S8 C36 C37 N8 55.0(5) . . . . ? C40 C36 C37 C38 -76.0(6) . . . . ? C39 C36 C37 C38 53.0(6) . . . . ? S8 C36 C37 C38 167.6(4) . . . . ? N8 C37 C38 O15 27.8(9) . . . . ? C36 C37 C38 O15 -94.0(9) . . . . ? N8 C37 C38 O16 -158.8(5) . . . . ? C36 C37 C38 O16 79.4(7) . . . . ? Pd5 S9 C41 C42 -44.1(4) . . . . ? Ag4 S9 C41 C42 -164.3(3) . . . . ? Ag8 S9 C41 C42 81.2(4) . . . . ? Pd5 S9 C41 C44 80.3(3) . . . . ? Ag4 S9 C41 C44 -39.8(4) . . . . ? Ag8 S9 C41 C44 -154.3(3) . . . . ? Pd5 S9 C41 C45 -160.1(3) . . . . ? Ag4 S9 C41 C45 79.7(3) . . . . ? Ag8 S9 C41 C45 -34.7(4) . . . . ? C44 C41 C42 C43 59.8(6) . . . . ? C45 C41 C42 C43 -64.8(6) . . . . ? S9 C41 C42 C43 -179.0(4) . . . . ? C44 C41 C42 N9 -63.2(5) . . . . ? C45 C41 C42 N9 172.3(4) . . . . ? S9 C41 C42 N9 58.1(4) . . . . ? Pd5 N9 C42 C43 -170.4(4) . . . . ? Pd5 N9 C42 C41 -44.8(5) . . . . ? C41 C42 C43 O18 86.8(7) . . . . ? N9 C42 C43 O18 -151.5(5) . . . . ? C41 C42 C43 O17 -85.7(7) . . . . ? N9 C42 C43 O17 36.0(7) . . . . ? Pd5 S10 C46 C50 -151.9(3) . . . . ? Ag1 S10 C46 C50 -21.7(4) . . . . ? Ag5 S10 C46 C50 77.6(3) . . . . ? Pd5 S10 C46 C49 84.3(3) . . . . ? Ag1 S10 C46 C49 -145.4(3) . . . . ? Ag5 S10 C46 C49 -46.1(4) . . . . ? Pd5 S10 C46 C47 -35.9(3) . . . . ? Ag1 S10 C46 C47 94.3(3) . . . . ? Ag5 S10 C46 C47 -166.4(2) . . . . ? Pd5 N10 C47 C48 -176.3(3) . . . . ? Pd5 N10 C47 C46 -48.5(5) . . . . ? C50 C46 C47 N10 168.1(4) . . . . ? C49 C46 C47 N10 -63.6(5) . . . . ? S10 C46 C47 N10 55.8(4) . . . . ? C50 C46 C47 C48 -67.6(6) . . . . ? C49 C46 C47 C48 60.7(5) . . . . ? S10 C46 C47 C48 -179.8(3) . . . . ? La1 O20 C48 O19 9.4(9) . . . . ? La1 O20 C48 C47 -168.2(3) . . . . ? N10 C47 C48 O20 -164.3(4) . . . . ? C46 C47 C48 O20 69.2(6) . . . . ? N10 C47 C48 O19 17.9(6) . . . . ? C46 C47 C48 O19 -108.6(5) . . . . ? Pd6 S11 C51 C52 -40.1(3) . . . . ? Ag5 S11 C51 C52 -161.2(3) . . . . ? Ag8 S11 C51 C52 83.3(3) . . . . ? Pd6 S11 C51 C55 -162.1(3) . . . . ? Ag5 S11 C51 C55 76.8(3) . . . . ? Ag8 S11 C51 C55 -38.7(4) . . . . ? Pd6 S11 C51 C54 79.7(3) . . . . ? Ag5 S11 C51 C54 -41.4(3) . . . . ? Ag8 S11 C51 C54 -156.9(3) . . . . ? C55 C51 C52 C53 -58.5(6) . . . . ? C54 C51 C52 C53 62.6(6) . . . . ? S11 C51 C52 C53 -177.2(4) . . . . ? C55 C51 C52 N11 168.6(4) . . . . ? C54 C51 C52 N11 -70.3(5) . . . . ? S11 C51 C52 N11 49.9(5) . . . . ? Pd6 N11 C52 C53 -168.1(4) . . . . ? Pd6 N11 C52 C51 -38.0(5) . . . . ? C51 C52 C53 O22 74.3(7) . . . . ? N11 C52 C53 O22 -159.1(5) . . . . ? C51 C52 C53 O21 -104.0(5) . . . . ? N11 C52 C53 O21 22.6(6) . . . . ? Pd6 S12 C56 C59 79.9(4) . . . . ? Ag7 S12 C56 C59 -48.9(4) . . . . ? Ag6 S12 C56 C59 -157.1(3) . . . . ? Pd6 S12 C56 C57 -41.4(4) . . . . ? Ag7 S12 C56 C57 -170.2(3) . . . . ? Ag6 S12 C56 C57 81.5(4) . . . . ? Pd6 S12 C56 C60 -153.3(3) . . . . ? Ag7 S12 C56 C60 77.9(4) . . . . ? Ag6 S12 C56 C60 -30.4(4) . . . . ? C59 C56 C57 C58 59.8(7) . . . . ? C60 C56 C57 C58 -63.9(6) . . . . ? S12 C56 C57 C58 -179.1(4) . . . . ? C59 C56 C57 N12 -68.4(5) . . . . ? C60 C56 C57 N12 167.9(4) . . . . ? S12 C56 C57 N12 52.7(4) . . . . ? Pd6 N12 C57 C56 -41.8(5) . . . . ? Pd6 N12 C57 C58 -173.7(3) . . . . ? C56 C57 C58 O24 70.4(8) . . . . ? N12 C57 C58 O24 -163.5(5) . . . . ? C56 C57 C58 O23 -101.2(6) . . . . ? N12 C57 C58 O23 25.0(7) . . . . ? O11 La1 O27 C61 -93.4(4) 5_675 . . . ? O3 La1 O27 C61 -52.1(5) 4_655 . . . ? O20 La1 O27 C61 94.6(4) . . . . ? O28 La1 O27 C61 2.8(4) . . . . ? O32 La1 O27 C61 119.9(4) . . . . ? O29 La1 O27 C61 -147.4(4) . . . . ? O30 La1 O27 C61 175.4(5) . . . . ? O31 La1 O27 C61 34.5(4) . . . . ? O11 La1 O28 C61 66.3(4) 5_675 . . . ? O3 La1 O28 C61 142.0(4) 4_655 . . . ? O20 La1 O28 C61 -76.3(4) . . . . ? O32 La1 O28 C61 -125.0(4) . . . . ? O29 La1 O28 C61 80.3(5) . . . . ? O30 La1 O28 C61 -9.9(4) . . . . ? O31 La1 O28 C61 -151.9(4) . . . . ? O27 La1 O28 C61 -2.6(4) . . . . ? La1 O27 C61 O28 -4.8(7) . . . . ? La1 O27 C61 C62 -169.4(6) . . . . ? La1 O28 C61 O27 5.1(7) . . . . ? La1 O28 C61 C62 169.9(6) . . . . ? O11 La1 C61 O27 77.5(4) 5_675 . . . ? O3 La1 C61 O27 141.1(4) 4_655 . . . ? O20 La1 C61 O27 -77.7(4) . . . . ? O28 La1 C61 O27 -175.1(7) . . . . ? O32 La1 C61 O27 -89.8(5) . . . . ? O29 La1 C61 O27 46.6(5) . . . . ? O30 La1 C61 O27 -4.1(4) . . . . ? O31 La1 C61 O27 -148.8(4) . . . . ? O11 La1 C61 O28 -107.4(4) 5_675 . . . ? O3 La1 C61 O28 -43.8(5) 4_655 . . . ? O20 La1 C61 O28 97.4(4) . . . . ? O32 La1 C61 O28 85.3(5) . . . . ? O29 La1 C61 O28 -138.3(3) . . . . ? O30 La1 C61 O28 170.9(4) . . . . ? O31 La1 C61 O28 26.3(4) . . . . ? O27 La1 C61 O28 175.1(7) . . . . ? C18 O7 La3 O39 165.8(5) . . . 5_775 ? C18 O7 La3 O39 121.6(5) . . . . ? C18 O7 La3 O8 0.6(4) . . . . ? C18 O7 La3 O52 -42.0(5) . . . 8_655 ? C18 O7 La3 La3 129.8(4) . . . 5_775 ? C18 O7 La3 La4 120.7(4) . . . 5_775 ? C18 O8 La3 La4 -156.8(6) . . . . ? C18 O8 La3 O39 -14.9(6) . . . 5_775 ? C18 O8 La3 O39 -134.1(5) . . . . ? C18 O8 La3 O7 -0.6(5) . . . . ? C18 O8 La3 O52 126.6(5) . . . 8_655 ? C18 O8 La3 La3 -77.3(5) . . . 5_775 ? O8 C18 La3 O39 166.3(5) . . . 5_775 ? O7 C18 La3 O39 -12.6(5) . . . 5_775 ? O8 C18 La3 O39 76.4(7) . . . . ? O7 C18 La3 O39 -102.5(6) . . . . ? O8 C18 La3 O7 178.9(8) . . . . ? O7 C18 La3 O8 -178.9(8) . . . . ? O8 C18 La3 O52 -45.0(5) . . . 8_655 ? O7 C18 La3 O52 136.1(5) . . . 8_655 ? O8 C18 La3 La3 119.2(5) . . . 5_775 ? O7 C18 La3 La3 -59.7(5) . . . 5_775 ? C18 O8 La4 O52 113.2(7) . . . 8_655 ? C18 O8 La4 O39 -0.6(9) . . . . ? C18 O8 La4 La4 -30.3(6) . . . 5_775 ? O39 La3 O39 La3 -26.0(4) 5_775 . . 5_775 ? O7 La3 O39 La3 12.2(6) . . . 5_775 ? O8 La3 O39 La3 100.3(3) . . . 5_775 ? O52 La3 O39 La3 173.4(2) 8_655 . . 5_775 ? C18 La3 O39 La3 63.3(6) . . . 5_775 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N1 H1 O35 0.92 2.14 3.008(7) 157.1 . N1 H1A O13 0.92 2.22 3.007(6) 143.3 5_665 N2 H2 O13 0.92 2.51 3.309(5) 146.0 5_665 N2 H2A O35 0.92 2.46 3.248(6) 143.1 . _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 23.25 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.654 _refine_diff_density_min -1.595 _refine_diff_density_rms 0.155 _publ_section_references ; Wakita, K. (2001). Yadokari-XG. Software for Crystal Structure Analyses. \nRelease of Software (Yadokari-XG 2009) for Crystal Structure Analyses, \nKabuto, C., Akine, S., Nemoto, T. & Kwon, E. (2009). \nJ. Cryst. Soc. Jpn. 51, 218-224. ; _chemical_absolute_configuration rm #===END data_La2[3](CH3COO) _database_code_depnum_ccdc_archive 'CCDC 825634' #TrackingRef '- konno.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C62 H111 Ag8 I La2 N12 O35 Pd6 S12, 22(O)' _chemical_formula_sum 'C62 H173 Ag8 I La2 N12 O57 Pd6 S12' _chemical_formula_weight 4289.92 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 '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' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'P 41 21 2' _symmetry_space_group_name_Hall 'P 4abw 2nw' _symmetry_Int_Tables_number 92 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y+1/2, -z+3/4' '-x+1/2, y+1/2, -z+1/4' '-y, -x, -z+1/2' 'y, x, -z' 'y+1/2, -x+1/2, z+3/4' '-y+1/2, x+1/2, z+1/4' _cell_length_a 24.6140(19) _cell_length_b 24.6140(19) _cell_length_c 47.332(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 28676(3) _cell_formula_units_Z 8 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 78454 _cell_measurement_theta_min 3.02 _cell_measurement_theta_max 25.35 _exptl_crystal_description needle _exptl_crystal_colour yellow _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.04 _exptl_crystal_size_min 0.04 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.987 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 16768 _exptl_absorpt_coefficient_mu 2.847 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'ABSCOR (Rigaku, 1995)' _exptl_absorpt_correction_T_min 0.278 _exptl_absorpt_correction_T_max 0.798 _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_radiation_source ? _diffrn_radiation_monochromator ? _diffrn_measurement_device_type 'Rigaku R-AXIS RAPID' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 10.000 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 152269 _diffrn_reflns_av_R_equivalents 0.1825 _diffrn_reflns_av_sigmaI/netI 0.1525 _diffrn_reflns_limit_h_min -28 _diffrn_reflns_limit_h_max 28 _diffrn_reflns_limit_k_min -25 _diffrn_reflns_limit_k_max 28 _diffrn_reflns_limit_l_min -55 _diffrn_reflns_limit_l_max 54 _diffrn_reflns_theta_min 3.01 _diffrn_reflns_theta_max 24.50 _reflns_number_total 23731 _reflns_number_gt 12309 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'RAPID AUTO (Rigaku, ????)' _computing_cell_refinement 'RAPID AUTO' _computing_data_reduction 'RAPID AUTO' _computing_structure_solution 'SHELXS97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)' _computing_publication_material ;Yadokari-XG 2009 (Wakita,Nemoto et al., 2009) ; _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^)+(0.0870P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.00(3) _refine_ls_number_reflns 23731 _refine_ls_number_parameters 1327 _refine_ls_number_restraints 53 _refine_ls_R_factor_all 0.1572 _refine_ls_R_factor_gt 0.0723 _refine_ls_wR_factor_ref 0.1806 _refine_ls_wR_factor_gt 0.1496 _refine_ls_goodness_of_fit_ref 0.955 _refine_ls_restrained_S_all 0.955 _refine_ls_shift/su_max 0.010 _refine_ls_shift/su_mean 0.001 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 Ag1 Ag 0.717936(19) 0.659076(19) 0.228181(9) 0.07150(16) Uani 1 1 d . . . Ag2 Ag 0.853989(18) 0.610565(18) 0.249127(9) 0.06612(15) Uani 1 1 d . . . Ag3 Ag 0.81303(2) 0.49880(2) 0.287912(9) 0.07751(17) Uani 1 1 d . . . Ag4 Ag 0.671566(18) 0.556065(18) 0.272300(9) 0.06393(15) Uani 1 1 d . . . Ag5 Ag 0.727968(19) 0.742947(18) 0.289907(9) 0.06993(16) Uani 1 1 d . . . Ag6 Ag 0.87462(2) 0.71386(2) 0.311552(11) 0.0941(2) Uani 1 1 d . . . Ag7 Ag 0.80004(2) 0.592472(19) 0.347453(9) 0.07521(17) Uani 1 1 d . . . Ag8 Ag 0.65111(2) 0.641641(19) 0.342564(10) 0.07954(18) Uani 1 1 d . . . Pd1 Pd 0.758140(18) 0.497999(18) 0.205053(8) 0.05873(14) Uani 1 1 d . . . Pd2 Pd 0.83731(2) 0.77653(2) 0.230600(10) 0.07966(18) Uani 1 1 d . . . Pd3 Pd 0.954740(18) 0.568337(18) 0.313864(9) 0.05934(14) Uani 1 1 d . . . Pd4 Pd 0.684348(19) 0.476017(18) 0.346359(9) 0.06294(15) Uani 1 1 d . . . Pd5 Pd 0.572407(18) 0.686490(18) 0.267969(9) 0.06074(14) Uani 1 1 d . . . Pd6 Pd 0.761949(18) 0.748318(18) 0.373982(9) 0.06704(15) Uani 1 1 d . . . I1 I 0.763453(15) 0.626437(14) 0.290527(7) 0.05601(11) Uani 1 1 d . . . La1 La 0.579295(15) 0.880022(14) 0.135718(7) 0.06711(12) Uani 1 1 d . . . S1 S 0.69781(6) 0.56069(6) 0.21995(3) 0.0603(5) Uani 1 1 d . . . S2 S 0.82641(6) 0.51481(6) 0.23611(3) 0.0601(5) Uani 1 1 d . . . S3 S 0.81357(6) 0.68939(6) 0.22138(3) 0.0701(5) Uani 1 1 d . . . S4 S 0.82221(7) 0.77552(6) 0.27806(4) 0.0816(6) Uani 1 1 d . . . S5 S 0.92259(6) 0.63690(6) 0.28584(3) 0.0670(5) Uani 1 1 d . . . S6 S 0.87347(6) 0.53151(6) 0.32666(3) 0.0557(5) Uani 1 1 d . . . S7 S 0.71457(6) 0.48055(6) 0.30141(3) 0.0593(5) Uani 1 1 d . . . S8 S 0.70610(7) 0.56097(6) 0.36026(3) 0.0679(5) Uani 1 1 d . . . S9 S 0.60264(6) 0.61811(6) 0.29622(3) 0.0611(5) Uani 1 1 d . . . S10 S 0.65404(6) 0.71944(6) 0.25419(3) 0.0621(5) Uani 1 1 d . . . S11 S 0.69739(6) 0.73346(6) 0.34074(3) 0.0584(5) Uani 1 1 d . . . S12 S 0.82647(6) 0.69084(6) 0.35796(3) 0.0676(5) Uani 1 1 d . . . O1 O 0.60938(16) 0.45656(19) 0.14878(8) 0.1069(18) Uani 1 1 d . . . O2 O 0.59175(19) 0.5380(2) 0.13414(9) 0.137(2) Uani 1 1 d . . . O3 O 0.88507(17) 0.39146(17) 0.16288(8) 0.1009(17) Uani 1 1 d . . . O4 O 0.9364(2) 0.3708(2) 0.20107(11) 0.182(2) Uani 1 1 d . . . O5 O 0.87646(13) 0.76655(16) 0.13268(8) 0.0968(17) Uani 1 1 d D . . O6 O 0.79845(14) 0.7267(2) 0.12396(8) 0.138(2) Uani 1 1 d D . . O7A O 0.8465(3) 0.9601(3) 0.24293(11) 0.1369(18) Uiso 0.50 1 d PD A 1 O7B O 0.8816(3) 0.9573(3) 0.25247(10) 0.1369(18) Uiso 0.50 1 d PD B 2 O8A O 0.8940(3) 0.9537(4) 0.28214(11) 0.1369(18) Uiso 0.50 1 d PD A 1 O8B O 0.9150(3) 0.9435(4) 0.29543(10) 0.1369(18) Uiso 0.50 1 d PD B 2 O9 O 1.1164(2) 0.63160(16) 0.27573(14) 0.2022(15) Uani 1 1 d DU . . O10 O 1.0989(2) 0.71931(16) 0.28206(16) 0.214(3) Uani 1 1 d DU . . O11 O 1.02099(14) 0.42716(14) 0.37083(7) 0.0666(13) Uani 1 1 d . . . O12 O 0.95677(15) 0.36757(16) 0.35794(8) 0.0847(15) Uani 1 1 d . . . O13 O 0.63557(16) 0.30034(14) 0.31532(8) 0.0851(15) Uani 1 1 d . . . O14 O 0.71390(17) 0.28610(13) 0.29348(10) 0.0960(17) Uani 1 1 d D . . O15 O 0.6638(2) 0.45212(19) 0.44306(9) 0.133(2) Uani 1 1 d . . . O16 O 0.6286(3) 0.5318(2) 0.45217(9) 0.166(3) Uani 1 1 d . . . O17 O 0.4104(2) 0.5943(3) 0.29129(14) 0.163(3) Uani 1 1 d . . . O18 O 0.4308(2) 0.5916(3) 0.33895(14) 0.202(3) Uani 1 1 d . . . O19 O 0.51455(15) 0.82545(14) 0.20648(7) 0.0777(13) Uani 1 1 d . . . O20 O 0.58195(16) 0.81334(15) 0.17592(7) 0.0785(14) Uani 1 1 d . . . O21 O 0.64384(19) 0.88817(17) 0.39585(9) 0.1120(18) Uani 1 1 d . . . O22 O 0.56603(16) 0.84180(17) 0.39027(8) 0.0949(16) Uani 1 1 d . . . O23 O 0.88674(18) 0.7667(2) 0.44499(9) 0.176(3) Uani 1 1 d D . . O24 O 0.96191(12) 0.7542(2) 0.42123(10) 0.124(2) Uani 1 1 d D . . N1 N 0.70461(19) 0.48373(19) 0.17426(9) 0.0811(18) Uani 1 1 d . . . H1A H 0.7234 0.4790 0.1576 0.097 Uiso 1 1 calc R . . H1B H 0.6871 0.4516 0.1782 0.097 Uiso 1 1 calc R . . N2 N 0.80682(17) 0.43594(18) 0.19052(9) 0.0695(16) Uani 1 1 d . . . H2A H 0.7867 0.4045 0.1902 0.083 Uiso 1 1 calc R . . H2B H 0.8167 0.4436 0.1722 0.083 Uiso 1 1 calc R . . N3 N 0.8434(2) 0.7851(2) 0.18818(10) 0.106(2) Uani 1 1 d . . . H3A H 0.8301 0.8187 0.1832 0.128 Uiso 1 1 calc R . . H3B H 0.8796 0.7841 0.1832 0.128 Uiso 1 1 calc R . . N4 N 0.8699(2) 0.85282(19) 0.23704(11) 0.116(2) Uani 1 1 d . . . H4A H 0.9035 0.8541 0.2286 0.140 Uiso 1 1 calc R . . H4B H 0.8481 0.8779 0.2281 0.140 Uiso 1 1 calc R . . N5 N 1.03035(17) 0.60004(18) 0.30457(9) 0.0745(17) Uani 1 1 d . . . H5A H 1.0509 0.6002 0.3208 0.089 Uiso 1 1 calc R . . H5B H 1.0473 0.5774 0.2918 0.089 Uiso 1 1 calc R . . N6 N 0.98800(15) 0.50725(16) 0.33724(8) 0.0561(14) Uani 1 1 d . . . H6A H 1.0201 0.4967 0.3290 0.067 Uiso 1 1 calc R . . H6B H 0.9959 0.5202 0.3550 0.067 Uiso 1 1 calc R . . N7 N 0.66944(19) 0.39553(15) 0.33850(8) 0.0685(16) Uani 1 1 d . . . H7A H 0.6805 0.3753 0.3538 0.082 Uiso 1 1 calc R . . H7B H 0.6326 0.3905 0.3363 0.082 Uiso 1 1 calc R . . N8 N 0.6566(2) 0.46863(18) 0.38691(9) 0.0908(18) Uani 1 1 d . . . H8A H 0.6233 0.4517 0.3862 0.109 Uiso 1 1 calc R . . H8B H 0.6798 0.4456 0.3963 0.109 Uiso 1 1 calc R . . N9 N 0.4976(2) 0.66333(19) 0.28290(11) 0.095(2) Uani 1 1 d . . . H9A H 0.4786 0.6943 0.2874 0.114 Uiso 1 1 calc R . . H9B H 0.4793 0.6466 0.2684 0.114 Uiso 1 1 calc R . . N10 N 0.54258(17) 0.74080(16) 0.23719(9) 0.0700(16) Uani 1 1 d . . . H10A H 0.5156 0.7238 0.2270 0.084 Uiso 1 1 calc R . . H10B H 0.5274 0.7703 0.2461 0.084 Uiso 1 1 calc R . . N11 N 0.70726(18) 0.79876(19) 0.39164(9) 0.0795(18) Uani 1 1 d . . . H11A H 0.7060 0.7911 0.4107 0.095 Uiso 1 1 calc R . . H11B H 0.7204 0.8336 0.3898 0.095 Uiso 1 1 calc R . . N12 N 0.81932(19) 0.7676(2) 0.40349(12) 0.109(2) Uani 1 1 d . F . H12A H 0.8202 0.8048 0.4054 0.131 Uiso 1 1 calc R . . H12B H 0.8085 0.7534 0.4206 0.131 Uiso 1 1 calc R . . C1 C 0.6398(2) 0.5440(2) 0.19598(10) 0.0679(19) Uani 1 1 d . . . C2 C 0.6644(2) 0.5251(3) 0.16989(11) 0.074(2) Uani 1 1 d . . . H1 H 0.6832 0.5569 0.1611 0.089 Uiso 1 1 calc R . . C3 C 0.6175(3) 0.5061(3) 0.14827(13) 0.092(2) Uani 1 1 d . . . C4 C 0.6030(2) 0.5023(2) 0.20976(10) 0.077(2) Uani 1 1 d . . . H2 H 0.5876 0.5174 0.2271 0.116 Uiso 1 1 calc R . . H3 H 0.6240 0.4696 0.2143 0.116 Uiso 1 1 calc R . . H4 H 0.5735 0.4928 0.1967 0.116 Uiso 1 1 calc R . . C5 C 0.6077(3) 0.6035(3) 0.19154(15) 0.111(3) Uani 1 1 d . . . H5 H 0.5915 0.6149 0.2095 0.167 Uiso 1 1 calc R . . H6 H 0.5792 0.5994 0.1773 0.167 Uiso 1 1 calc R . . H7 H 0.6338 0.6311 0.1853 0.167 Uiso 1 1 calc R . . C6 C 0.88175(19) 0.47626(19) 0.21771(11) 0.0567(17) Uani 1 1 d . . . C7 C 0.85713(19) 0.42589(19) 0.20735(11) 0.0600(18) Uani 1 1 d . . . H8 H 0.8466 0.4038 0.2242 0.072 Uiso 1 1 calc R . . C8 C 0.8962(3) 0.3900(2) 0.18879(12) 0.092(2) Uani 1 1 d . . . C9 C 0.9030(2) 0.5155(3) 0.19370(11) 0.091(2) Uani 1 1 d . . . H9 H 0.9192 0.5479 0.2023 0.137 Uiso 1 1 calc R . . H10 H 0.8726 0.5263 0.1816 0.137 Uiso 1 1 calc R . . H11 H 0.9305 0.4967 0.1823 0.137 Uiso 1 1 calc R . . C10 C 0.9242(3) 0.4685(4) 0.24108(12) 0.132(4) Uani 1 1 d . . . H12 H 0.9397 0.5038 0.2462 0.198 Uiso 1 1 calc R . . H13 H 0.9531 0.4445 0.2343 0.198 Uiso 1 1 calc R . . H14 H 0.9069 0.4522 0.2577 0.198 Uiso 1 1 calc R . . C11 C 0.8329(2) 0.6835(2) 0.18280(11) 0.087(2) Uani 1 1 d . . . C12 C 0.8132(3) 0.7418(4) 0.17137(9) 0.126(4) Uani 1 1 d D . . H15 H 0.7729 0.7462 0.1727 0.151 Uiso 1 1 calc R . . C13 C 0.83455(16) 0.7456(3) 0.13919(8) 0.096(3) Uani 1 1 d D . . C14 C 0.8971(2) 0.6763(3) 0.18210(10) 0.094(2) Uani 1 1 d . . . H16 H 0.9144 0.7084 0.1904 0.141 Uiso 1 1 calc R . . H17 H 0.9092 0.6721 0.1625 0.141 Uiso 1 1 calc R . . H18 H 0.9072 0.6440 0.1930 0.141 Uiso 1 1 calc R . . C15 C 0.8007(2) 0.6355(2) 0.16973(10) 0.085(2) Uani 1 1 d . . . H19 H 0.8152 0.6011 0.1770 0.127 Uiso 1 1 calc R . . H20 H 0.8044 0.6364 0.1491 0.127 Uiso 1 1 calc R . . H21 H 0.7623 0.6387 0.1749 0.127 Uiso 1 1 calc R . . C16 C 0.8256(3) 0.8493(3) 0.28392(12) 0.094(3) Uani 1 1 d . . . C17 C 0.8756(3) 0.86837(15) 0.26540(18) 0.122(3) Uani 1 1 d D . . H22 H 0.9117 0.8589 0.2737 0.183 Uiso 0.50 1 calc PR C 1 H23 H 0.9053 0.8438 0.2721 0.183 Uiso 0.50 1 calc PR C 2 C18A C 0.8644(3) 0.9325(2) 0.26360(13) 0.1369(18) Uiso 0.50 1 d PD A 1 C18B C 0.9004(4) 0.9274(2) 0.27156(11) 0.1369(18) Uiso 0.50 1 d PD B 2 C19 C 0.7740(3) 0.8761(3) 0.27568(15) 0.120(3) Uani 1 1 d . . . H24 H 0.7695 0.8739 0.2551 0.180 Uiso 1 1 calc R A . H25 H 0.7749 0.9143 0.2815 0.180 Uiso 1 1 calc R . . H26 H 0.7435 0.8578 0.2850 0.180 Uiso 1 1 calc R . . C20 C 0.8312(3) 0.8555(3) 0.31199(17) 0.158(4) Uani 1 1 d . . . H27 H 0.8656 0.8393 0.3181 0.237 Uiso 1 1 calc R A . H28 H 0.8010 0.8374 0.3217 0.237 Uiso 1 1 calc R . . H29 H 0.8310 0.8943 0.3167 0.237 Uiso 1 1 calc R . . C21 C 0.9869(3) 0.6588(2) 0.26856(12) 0.087(2) Uani 1 1 d . . . C22 C 1.02942(18) 0.6566(3) 0.29259(12) 0.088(2) Uani 1 1 d D . . H30 H 1.0196 0.6832 0.3077 0.106 Uiso 1 1 calc R . . C23 C 1.0875(2) 0.67103(19) 0.27998(19) 0.2049(16) Uani 1 1 d DU . . C24 C 0.9994(3) 0.6168(3) 0.24467(11) 0.091(3) Uani 1 1 d . . . H31 H 0.9715 0.6195 0.2299 0.136 Uiso 1 1 calc R . . H32 H 0.9993 0.5801 0.2526 0.136 Uiso 1 1 calc R . . H33 H 1.0351 0.6247 0.2365 0.136 Uiso 1 1 calc R . . C25 C 0.9745(3) 0.7157(2) 0.25579(16) 0.120(3) Uani 1 1 d . . . H34 H 0.9470 0.7121 0.2409 0.180 Uiso 1 1 calc R . . H35 H 1.0078 0.7310 0.2477 0.180 Uiso 1 1 calc R . . H36 H 0.9609 0.7398 0.2707 0.180 Uiso 1 1 calc R . . C26 C 0.8953(2) 0.4767(2) 0.35118(10) 0.064(2) Uani 1 1 d . . . C27 C 0.95172(19) 0.4589(2) 0.33993(11) 0.0574(18) Uani 1 1 d . . . H37 H 0.9464 0.4434 0.3206 0.069 Uiso 1 1 calc R . . C28 C 0.9825(2) 0.4140(2) 0.35869(12) 0.073(2) Uani 1 1 d . . . C29 C 0.89961(19) 0.4980(2) 0.38095(10) 0.0648(19) Uani 1 1 d . . . H38 H 0.8635 0.5087 0.3877 0.097 Uiso 1 1 calc R . . H39 H 0.9237 0.5297 0.3813 0.097 Uiso 1 1 calc R . . H40 H 0.9144 0.4696 0.3933 0.097 Uiso 1 1 calc R . . C30 C 0.8495(2) 0.4297(2) 0.34915(11) 0.075(2) Uani 1 1 d . . . H41 H 0.8151 0.4435 0.3567 0.112 Uiso 1 1 calc R . . H42 H 0.8611 0.3981 0.3602 0.112 Uiso 1 1 calc R . . H43 H 0.8446 0.4192 0.3294 0.112 Uiso 1 1 calc R . . C31 C 0.6924(2) 0.41173(18) 0.28819(10) 0.0503(17) Uani 1 1 d . . . C32 C 0.6981(2) 0.3756(2) 0.31255(11) 0.0620(19) Uani 1 1 d . . . H44 H 0.7377 0.3752 0.3173 0.074 Uiso 1 1 calc R . . C33 C 0.6817(2) 0.3152(2) 0.30741(11) 0.075(2) Uani 1 1 d . . . C34 C 0.6335(2) 0.4177(2) 0.28199(11) 0.081(2) Uani 1 1 d . . . H45 H 0.6140 0.4265 0.2994 0.122 Uiso 1 1 calc R . . H46 H 0.6194 0.3836 0.2742 0.122 Uiso 1 1 calc R . . H47 H 0.6282 0.4469 0.2682 0.122 Uiso 1 1 calc R . . C35 C 0.7228(2) 0.3981(2) 0.26278(11) 0.071(2) Uani 1 1 d . . . H48 H 0.7616 0.3956 0.2673 0.106 Uiso 1 1 calc R . . H49 H 0.7172 0.4264 0.2485 0.106 Uiso 1 1 calc R . . H50 H 0.7102 0.3631 0.2554 0.106 Uiso 1 1 calc R . . C36 C 0.6987(2) 0.5481(3) 0.39856(11) 0.084(2) Uani 1 1 d . . . C37 C 0.6504(3) 0.5174(3) 0.40415(13) 0.098(3) Uani 1 1 d . . . H51 H 0.6173 0.5382 0.3984 0.117 Uiso 1 1 calc R . . C38 C 0.6449(4) 0.4962(3) 0.43596(12) 0.123(3) Uani 1 1 d . . . C39 C 0.7512(3) 0.5232(3) 0.40910(11) 0.108(3) Uani 1 1 d . . . H52 H 0.7815 0.5480 0.4052 0.162 Uiso 1 1 calc R . . H53 H 0.7575 0.4885 0.3994 0.162 Uiso 1 1 calc R . . H54 H 0.7486 0.5169 0.4295 0.162 Uiso 1 1 calc R . . C40 C 0.6976(3) 0.6043(3) 0.41231(11) 0.099(3) Uani 1 1 d . . . H55 H 0.7322 0.6228 0.4089 0.149 Uiso 1 1 calc R . . H56 H 0.6919 0.6004 0.4327 0.149 Uiso 1 1 calc R . . H57 H 0.6679 0.6257 0.4042 0.149 Uiso 1 1 calc R . . C41 C 0.5363(2) 0.5830(2) 0.30176(10) 0.066(2) Uani 1 1 d . . . C42 C 0.4960(2) 0.62679(19) 0.30762(11) 0.0648(18) Uani 1 1 d . . . H58 H 0.5063 0.6471 0.3251 0.078 Uiso 1 1 calc R . . C43 C 0.4384(3) 0.6021(3) 0.31082(17) 0.124(3) Uani 1 1 d . . . C44 C 0.52465(19) 0.5463(2) 0.27655(11) 0.071(2) Uani 1 1 d . . . H59 H 0.5537 0.5193 0.2747 0.107 Uiso 1 1 calc R . . H60 H 0.5229 0.5683 0.2593 0.107 Uiso 1 1 calc R . . H61 H 0.4898 0.5278 0.2794 0.107 Uiso 1 1 calc R . . C45 C 0.5459(3) 0.5491(2) 0.32904(13) 0.097(3) Uani 1 1 d . . . H62 H 0.5531 0.5737 0.3449 0.146 Uiso 1 1 calc R . . H63 H 0.5771 0.5250 0.3263 0.146 Uiso 1 1 calc R . . H64 H 0.5135 0.5274 0.3331 0.146 Uiso 1 1 calc R . . C46 C 0.6334(2) 0.7787(2) 0.23183(11) 0.0603(18) Uani 1 1 d . . . C47 C 0.5829(2) 0.7592(2) 0.21838(10) 0.0626(18) Uani 1 1 d . . . H65 H 0.5931 0.7276 0.2061 0.075 Uiso 1 1 calc R . . C48 C 0.5575(2) 0.8031(2) 0.19870(12) 0.0629(19) Uani 1 1 d . . . C49 C 0.6246(2) 0.8261(2) 0.25066(12) 0.080(2) Uani 1 1 d . . . H66 H 0.5951 0.8181 0.2639 0.121 Uiso 1 1 calc R . . H67 H 0.6150 0.8580 0.2393 0.121 Uiso 1 1 calc R . . H68 H 0.6580 0.8336 0.2612 0.121 Uiso 1 1 calc R . . C50 C 0.6765(2) 0.7866(2) 0.21037(10) 0.0801(19) Uani 1 1 d . . . H69 H 0.6791 0.7540 0.1985 0.120 Uiso 1 1 calc R . . H70 H 0.7113 0.7929 0.2198 0.120 Uiso 1 1 calc R . . H71 H 0.6675 0.8180 0.1985 0.120 Uiso 1 1 calc R . . C51 C 0.6486(2) 0.7915(2) 0.34927(11) 0.077(2) Uani 1 1 d . . . C52 C 0.6506(2) 0.7985(2) 0.38091(11) 0.071(2) Uani 1 1 d . . . H72 H 0.6320 0.7663 0.3894 0.086 Uiso 1 1 calc R . . C53 C 0.6196(3) 0.8477(3) 0.38976(11) 0.086(2) Uani 1 1 d . . . C54 C 0.6697(3) 0.8433(2) 0.33564(11) 0.087(2) Uani 1 1 d . . . H73 H 0.6687 0.8395 0.3150 0.130 Uiso 1 1 calc R . . H74 H 0.7072 0.8498 0.3417 0.130 Uiso 1 1 calc R . . H75 H 0.6469 0.8740 0.3414 0.130 Uiso 1 1 calc R . . C55 C 0.5949(2) 0.7770(3) 0.33633(14) 0.148(3) Uani 1 1 d . . . H76 H 0.5988 0.7746 0.3158 0.222 Uiso 1 1 calc R . . H77 H 0.5680 0.8049 0.3410 0.222 Uiso 1 1 calc R . . H78 H 0.5827 0.7418 0.3437 0.222 Uiso 1 1 calc R . . C56 C 0.8735(2) 0.68971(18) 0.38809(12) 0.071(2) Uani 1 1 d . F . C57 C 0.8785(2) 0.7472(3) 0.39716(11) 0.120(3) Uani 1 1 d D . . H79 H 0.8949 0.7694 0.3816 0.144 Uiso 1 1 calc R F . C58 C 0.91450(16) 0.7525(3) 0.42516(10) 0.136(3) Uani 1 1 d D F . C59 C 0.8532(4) 0.6522(3) 0.40863(16) 0.176(4) Uani 1 1 d . . . H80 H 0.8179 0.6649 0.4156 0.264 Uiso 1 1 calc R F . H81 H 0.8788 0.6498 0.4244 0.264 Uiso 1 1 calc R . . H82 H 0.8490 0.6163 0.3999 0.264 Uiso 1 1 calc R . . C60 C 0.9301(3) 0.6747(4) 0.37579(16) 0.166(4) Uani 1 1 d . . . H83 H 0.9299 0.6367 0.3696 0.249 Uiso 1 1 calc R F . H84 H 0.9579 0.6797 0.3904 0.249 Uiso 1 1 calc R . . H85 H 0.9382 0.6983 0.3596 0.249 Uiso 1 1 calc R . . O25 O 0.9490(2) 0.7768(2) 0.32568(12) 0.151(3) Uani 1 1 d . . . O26 O 0.5748(2) 0.6548(2) 0.37878(10) 0.147(2) Uani 1 1 d . . . O27 O 0.6635(2) 0.9133(2) 0.16502(13) 0.1607(15) Uani 1 1 d U . . C61 C 0.6256(4) 0.9392(3) 0.1871(2) 0.1545(12) Uani 1 1 d U . . C62 C 0.6711(4) 0.9625(4) 0.2105(2) 0.189(3) Uani 1 1 d U . . H86 H 0.7078 0.9579 0.2028 0.283 Uiso 1 1 calc R . . H87 H 0.6677 0.9422 0.2282 0.283 Uiso 1 1 calc R . . H88 H 0.6643 1.0012 0.2140 0.283 Uiso 1 1 calc R . . O28 O 0.5837(2) 0.9345(2) 0.18560(11) 0.1360(14) Uani 1 1 d U . . O29 O 0.49924(16) 0.89134(16) 0.10115(7) 0.0811(15) Uani 1 1 d . . . O30 O 0.48766(14) 0.89064(13) 0.16247(7) 0.0607(12) Uani 1 1 d . . . O31 O 0.6608(2) 0.81475(19) 0.12869(11) 0.149(2) Uani 1 1 d . . . O32 O 0.5448(2) 0.78644(18) 0.11841(10) 0.160(2) Uani 1 1 d . . . O33 O 0.42821(16) 0.97597(16) 0.11103(8) 0.0856(12) Uiso 1 1 d . . . La2 La 0.92901(16) 1.03236(16) 0.29266(8) 0.1031(11) Uiso 0.13 1 d P A 1 La6 La 1.22075(17) 0.65052(17) 0.25807(9) 0.1584(14) Uiso 0.17 1 d P . 1 La3 La 0.86137(19) 1.06581(19) 0.23385(10) 0.1332(15) Uiso 0.13 1 d P B 2 La4 La 0.9555(2) 1.0424(2) 0.23922(9) 0.1420(17) Uiso 0.13 1 d P D 3 La5 La 0.8830(2) 1.0543(2) 0.26727(12) 0.173(2) Uiso 0.13 1 d P E 4 O34 O 0.7866(4) 0.6802(4) 0.0752(2) 0.273(4) Uiso 1 1 d . . . La7 La 0.8284(2) 0.7713(2) 0.49071(10) 0.1926(18) Uiso 0.17 1 d P F 2 La8 La 0.8567(3) 0.8188(3) 0.48419(14) 0.271(3) Uiso 0.17 1 d P . 3 O35 O 0.7846(2) 0.4889(2) 0.12865(12) 0.146(2) Uiso 1 1 d . . . O36 O 0.4868(2) 0.8135(2) 0.28408(12) 0.157(2) Uiso 1 1 d . . . O37 O 0.5063(2) 0.9326(2) 0.23110(10) 0.1190(16) Uiso 1 1 d . . . O38 O 0.7559(3) 0.8678(3) 0.11849(14) 0.183(3) Uiso 1 1 d . . . O39 O 0.6846(3) 0.7138(3) 0.14255(16) 0.200(3) Uiso 1 1 d . . . O40 O 0.5138(4) 0.7439(4) 0.38097(19) 0.254(4) Uiso 1 1 d . . . O41 O 0.4830(4) 0.6729(4) 0.19973(19) 0.253(4) Uiso 1 1 d . . . O42 O 0.5275(4) 0.4651(4) 0.4023(2) 0.287(5) Uiso 1 1 d . . . O43 O 0.5330(3) 0.6993(2) 0.15254(17) 0.244(4) Uiso 1 1 d D . . O44 O 0.7805(4) 0.6799(4) 0.47163(19) 0.259(4) Uiso 1 1 d . . . O45 O 0.5261(4) 0.9181(4) 0.29250(19) 0.274(4) Uiso 1 1 d . . . O46 O 0.8387(7) 0.9049(6) 0.1741(3) 0.480(9) Uiso 1 1 d . . . O47 O 0.5012(6) 0.6080(3) 0.1338(3) 0.526(10) Uiso 1 1 d D . . O48 O 0.8122(4) 0.8860(5) 0.4103(2) 0.317(5) Uiso 1 1 d . . . O49 O 0.7084(4) 0.7658(4) 0.4517(2) 0.275(4) Uiso 1 1 d . . . O50 O 0.7260(4) 0.9016(4) 0.4488(2) 0.298(5) Uiso 1 1 d . . . O51 O 0.4596(6) 0.7689(6) 0.0869(3) 0.416(8) Uiso 1 1 d . . . O52 O 0.6147(5) 0.4929(5) 0.5042(3) 0.345(6) Uiso 1 1 d . . . O53 O 0.6316(4) 0.6329(4) 0.1182(2) 0.302(5) Uiso 1 1 d . . . O54 O 0.6397(4) 0.9508(4) 0.2898(2) 0.276(4) Uiso 1 1 d . . . O55 O 0.6252(3) 0.7408(3) 0.07124(18) 0.369(6) Uiso 1 1 d D . . O56 O 0.8158(2) 0.3019(4) 0.2095(2) 0.575(12) Uiso 1 1 d . . . O57 O 0.6809(6) 0.6243(6) 0.4834(3) 0.432(8) Uiso 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.0766(3) 0.0707(3) 0.0672(3) 0.0025(2) 0.0108(2) 0.0076(3) Ag2 0.0704(3) 0.0697(3) 0.0583(2) -0.0056(2) 0.0041(2) 0.0049(2) Ag3 0.0774(3) 0.0958(4) 0.0593(2) 0.0021(3) -0.0092(2) -0.0079(3) Ag4 0.0706(3) 0.0631(3) 0.0580(2) -0.0002(2) 0.0011(2) 0.0046(2) Ag5 0.0859(3) 0.0635(3) 0.0604(2) -0.0012(2) 0.0036(2) 0.0093(3) Ag6 0.0934(4) 0.1015(4) 0.0875(3) -0.0080(3) 0.0042(3) 0.0150(3) Ag7 0.0872(3) 0.0785(3) 0.0599(2) 0.0012(2) -0.0041(2) 0.0094(3) Ag8 0.0934(3) 0.0640(3) 0.0812(3) 0.0021(3) -0.0070(3) 0.0011(3) Pd1 0.0611(3) 0.0666(3) 0.0485(2) -0.0081(2) -0.0022(2) 0.0051(2) Pd2 0.0875(3) 0.0655(3) 0.0859(3) 0.0145(3) 0.0192(3) 0.0025(3) Pd3 0.0586(3) 0.0623(3) 0.0571(2) 0.0011(2) -0.0076(2) -0.0049(2) Pd4 0.0723(3) 0.0603(3) 0.0562(2) 0.0065(2) -0.0019(2) 0.0018(2) Pd5 0.0645(3) 0.0595(3) 0.0583(2) 0.0081(2) 0.0093(2) 0.0142(2) Pd6 0.0664(3) 0.0672(3) 0.0676(2) -0.0213(2) -0.0117(2) 0.0125(2) I1 0.0651(2) 0.0545(2) 0.04849(17) -0.00042(16) 0.00241(17) 0.00648(18) La1 0.0676(2) 0.0590(2) 0.0748(2) 0.00830(18) 0.00298(19) 0.00450(19) S1 0.0553(9) 0.0734(10) 0.0522(7) -0.0047(7) -0.0031(7) 0.0098(8) S2 0.0662(9) 0.0607(9) 0.0533(7) -0.0115(7) 0.0007(7) 0.0135(8) S3 0.0768(10) 0.0811(10) 0.0522(7) 0.0134(8) 0.0118(7) -0.0022(9) S4 0.1047(13) 0.0523(10) 0.0878(10) -0.0037(8) 0.0051(10) 0.0047(9) S5 0.0801(10) 0.0602(9) 0.0607(8) 0.0078(7) -0.0010(8) 0.0011(8) S6 0.0531(8) 0.0590(9) 0.0550(7) 0.0061(7) -0.0024(7) 0.0079(7) S7 0.0659(9) 0.0590(9) 0.0528(7) 0.0059(7) -0.0054(7) 0.0017(8) S8 0.0967(11) 0.0599(9) 0.0471(7) 0.0035(7) 0.0086(8) 0.0113(8) S9 0.0665(9) 0.0593(9) 0.0574(8) 0.0119(7) 0.0084(7) 0.0049(8) S10 0.0714(9) 0.0579(9) 0.0571(8) 0.0091(7) 0.0014(7) 0.0124(8) S11 0.0739(9) 0.0545(8) 0.0469(7) -0.0077(7) -0.0044(7) 0.0075(8) S12 0.0718(10) 0.0616(9) 0.0694(9) -0.0083(8) -0.0082(8) 0.0105(8) O1 0.077(3) 0.160(4) 0.084(3) -0.047(3) -0.027(2) 0.015(3) O2 0.131(3) 0.190(5) 0.091(3) 0.017(3) -0.075(2) 0.027(3) O3 0.099(3) 0.108(3) 0.096(3) -0.038(2) 0.031(2) -0.005(3) O4 0.177(4) 0.200(4) 0.168(4) -0.100(3) -0.082(3) 0.139(3) O5 0.082(3) 0.119(3) 0.089(3) 0.007(3) -0.001(2) -0.039(3) O6 0.092(3) 0.240(5) 0.082(3) 0.062(3) -0.004(3) -0.040(3) O9 0.138(3) 0.253(3) 0.216(3) 0.076(3) -0.061(3) -0.087(3) O10 0.156(4) 0.228(4) 0.258(5) 0.067(4) -0.014(4) -0.080(4) O11 0.063(2) 0.067(2) 0.070(2) -0.0133(19) 0.0046(19) -0.016(2) O12 0.072(3) 0.080(3) 0.102(3) 0.000(2) -0.019(2) 0.001(2) O13 0.095(3) 0.055(2) 0.105(3) 0.007(2) -0.043(2) -0.021(2) O14 0.098(3) 0.055(2) 0.135(3) -0.020(2) 0.002(3) -0.013(2) O15 0.227(5) 0.102(3) 0.071(3) 0.032(2) 0.028(3) 0.050(4) O16 0.244(5) 0.189(5) 0.063(2) 0.012(3) 0.078(3) 0.063(4) O17 0.072(3) 0.206(6) 0.213(6) -0.010(5) -0.036(4) -0.019(4) O18 0.143(4) 0.181(5) 0.282(6) 0.089(5) 0.125(4) 0.014(4) O19 0.082(3) 0.072(2) 0.079(2) 0.026(2) -0.013(2) 0.0388(19) O20 0.088(3) 0.079(3) 0.069(2) 0.034(2) 0.015(2) 0.023(2) O21 0.129(4) 0.091(3) 0.116(3) -0.056(2) -0.028(3) 0.032(3) O22 0.088(3) 0.109(3) 0.088(3) -0.009(2) 0.022(2) 0.047(2) O23 0.190(5) 0.195(5) 0.145(4) -0.081(4) -0.069(4) 0.046(4) O24 0.057(2) 0.126(4) 0.191(4) 0.002(3) -0.056(3) 0.026(3) N1 0.094(3) 0.091(3) 0.058(3) -0.011(3) -0.006(3) 0.041(3) N2 0.061(3) 0.081(3) 0.066(3) -0.024(2) 0.015(2) -0.006(3) N3 0.155(5) 0.089(4) 0.076(3) 0.027(3) 0.026(4) 0.011(4) N4 0.155(5) 0.061(3) 0.133(4) 0.017(3) 0.069(4) -0.001(3) N5 0.053(3) 0.092(4) 0.078(3) 0.017(3) -0.018(2) -0.016(3) N6 0.045(2) 0.064(3) 0.059(2) 0.016(2) 0.001(2) -0.004(2) N7 0.107(3) 0.036(2) 0.063(3) 0.009(2) -0.024(3) -0.027(2) N8 0.121(4) 0.078(3) 0.073(3) 0.058(2) 0.020(3) 0.019(3) N9 0.090(4) 0.071(3) 0.124(4) -0.003(3) 0.027(3) 0.027(3) N10 0.071(3) 0.044(3) 0.096(3) -0.001(2) -0.018(3) 0.012(2) N11 0.081(3) 0.100(3) 0.057(3) -0.039(2) 0.003(2) 0.011(3) N12 0.076(3) 0.099(4) 0.153(4) -0.050(4) -0.042(3) 0.025(3) C1 0.065(4) 0.091(4) 0.048(3) 0.025(3) -0.007(3) 0.039(3) C2 0.063(4) 0.103(5) 0.057(3) -0.018(3) 0.019(3) -0.008(3) C3 0.076(4) 0.110(5) 0.089(4) -0.043(4) 0.030(3) -0.013(4) C4 0.087(4) 0.105(5) 0.040(3) 0.004(3) 0.005(3) -0.006(4) C5 0.086(5) 0.118(5) 0.130(5) 0.037(4) -0.025(4) 0.034(4) C6 0.038(3) 0.045(3) 0.087(3) -0.031(3) -0.014(3) 0.017(2) C7 0.051(3) 0.040(3) 0.088(4) -0.021(3) 0.000(3) 0.019(3) C8 0.134(6) 0.068(4) 0.075(4) -0.046(3) 0.014(4) -0.005(4) C9 0.086(4) 0.122(5) 0.066(3) -0.006(3) 0.053(3) 0.027(4) C10 0.094(5) 0.245(9) 0.058(4) -0.027(5) -0.006(4) -0.042(6) C11 0.084(4) 0.124(4) 0.054(3) 0.037(3) 0.032(3) 0.070(3) C12 0.073(5) 0.233(9) 0.072(4) 0.003(5) 0.019(4) 0.004(6) C13 0.069(4) 0.161(6) 0.058(3) 0.001(4) -0.040(3) 0.024(4) C14 0.070(4) 0.163(6) 0.049(3) 0.055(3) 0.036(3) 0.040(4) C15 0.113(5) 0.098(5) 0.042(3) -0.023(3) 0.039(3) -0.009(4) C16 0.125(5) 0.086(5) 0.071(4) -0.004(4) 0.016(4) 0.008(4) C17 0.098(5) 0.043(4) 0.225(8) 0.000(5) 0.029(6) -0.014(4) C19 0.143(6) 0.096(5) 0.120(5) 0.026(4) 0.046(5) 0.052(4) C20 0.130(6) 0.143(7) 0.201(8) -0.054(6) 0.060(6) -0.055(5) C21 0.120(5) 0.059(4) 0.083(4) 0.003(3) 0.029(4) -0.016(4) C22 0.086(4) 0.102(5) 0.077(4) -0.009(4) -0.023(3) -0.042(4) C23 0.145(3) 0.247(3) 0.222(3) 0.073(3) -0.060(3) -0.090(3) C24 0.090(5) 0.117(5) 0.065(3) -0.008(4) -0.004(4) 0.006(4) C25 0.131(6) 0.032(3) 0.197(7) 0.034(4) 0.059(5) 0.015(4) C26 0.081(4) 0.066(4) 0.046(3) 0.008(3) 0.009(3) 0.001(3) C27 0.041(3) 0.058(3) 0.074(3) -0.001(3) -0.010(3) 0.019(3) C28 0.073(4) 0.063(4) 0.084(4) 0.010(3) 0.008(3) 0.014(3) C29 0.037(3) 0.098(4) 0.059(3) 0.019(3) -0.006(3) -0.010(3) C30 0.098(4) 0.067(4) 0.059(3) 0.010(3) 0.014(3) -0.014(3) C31 0.071(3) 0.030(3) 0.050(3) -0.014(2) -0.010(3) 0.004(3) C32 0.051(3) 0.057(3) 0.078(3) -0.004(3) -0.027(3) -0.007(3) C33 0.090(4) 0.060(4) 0.074(3) 0.005(3) -0.038(3) 0.005(3) C34 0.118(5) 0.056(4) 0.071(3) 0.010(3) -0.033(3) -0.001(4) C35 0.078(4) 0.053(4) 0.081(4) -0.006(3) 0.013(3) -0.012(3) C36 0.091(4) 0.102(4) 0.058(3) -0.020(3) -0.009(3) 0.041(4) C37 0.109(5) 0.088(5) 0.095(4) -0.015(4) 0.053(4) -0.010(4) C38 0.212(8) 0.114(6) 0.043(3) 0.005(4) 0.042(4) 0.007(6) C39 0.136(6) 0.138(6) 0.049(3) 0.013(4) -0.009(4) -0.023(5) C40 0.129(6) 0.124(6) 0.045(3) 0.010(4) 0.021(4) 0.027(5) C41 0.052(3) 0.090(4) 0.055(3) 0.004(3) 0.014(3) 0.010(3) C42 0.076(4) 0.037(3) 0.082(3) 0.029(3) 0.021(3) 0.032(3) C43 0.097(4) 0.071(5) 0.203(6) 0.013(5) 0.099(4) 0.009(4) C44 0.027(3) 0.090(4) 0.097(4) -0.017(4) -0.016(3) -0.008(3) C45 0.102(5) 0.059(4) 0.132(5) 0.038(4) 0.027(4) -0.001(4) C46 0.059(3) 0.058(3) 0.064(3) 0.000(3) -0.004(3) 0.032(3) C47 0.068(4) 0.066(3) 0.053(3) 0.035(3) 0.001(3) 0.015(3) C48 0.036(3) 0.045(3) 0.107(4) -0.025(3) -0.008(3) 0.006(3) C49 0.078(4) 0.070(4) 0.094(4) 0.025(3) -0.020(4) 0.012(3) C50 0.102(4) 0.062(3) 0.077(3) 0.050(3) -0.054(3) -0.030(3) C51 0.073(4) 0.102(5) 0.055(3) 0.002(3) -0.012(3) 0.026(4) C52 0.083(4) 0.058(3) 0.073(3) -0.031(3) -0.003(3) 0.006(3) C53 0.090(4) 0.108(5) 0.059(3) -0.014(3) -0.017(3) 0.037(4) C54 0.134(5) 0.061(4) 0.065(3) 0.014(3) 0.029(4) 0.024(4) C55 0.098(4) 0.225(7) 0.121(5) -0.092(5) -0.061(4) 0.101(4) C56 0.103(4) 0.010(3) 0.101(4) -0.004(3) 0.041(3) 0.007(3) C57 0.086(4) 0.131(6) 0.143(5) 0.032(5) -0.087(3) -0.017(4) C58 0.093(4) 0.142(5) 0.173(7) -0.040(5) -0.044(5) 0.091(4) C59 0.277(10) 0.105(6) 0.147(6) -0.053(5) -0.093(6) -0.001(7) C60 0.127(5) 0.222(8) 0.148(6) -0.025(6) -0.063(5) 0.108(5) O25 0.128(4) 0.167(5) 0.159(5) -0.007(4) -0.006(4) -0.057(4) O26 0.161(4) 0.160(5) 0.121(3) 0.016(4) 0.067(3) 0.022(4) O27 0.138(3) 0.144(3) 0.200(3) 0.040(2) -0.042(2) 0.019(2) C61 0.146(2) 0.139(2) 0.179(2) 0.046(2) -0.046(2) 0.001(2) C62 0.203(5) 0.161(5) 0.203(5) 0.045(5) -0.048(5) -0.020(5) O28 0.124(2) 0.131(2) 0.153(2) 0.047(2) -0.055(2) -0.007(2) O29 0.080(3) 0.093(3) 0.070(2) 0.008(2) -0.009(2) -0.014(2) O30 0.062(2) 0.049(2) 0.071(2) 0.0054(18) 0.0020(19) -0.0005(18) O31 0.184(4) 0.119(3) 0.143(4) 0.058(3) 0.062(3) 0.084(3) O32 0.270(5) 0.068(3) 0.141(3) 0.004(3) -0.124(3) -0.020(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 S10 2.4892(15) . ? Ag1 S3 2.4902(17) . ? Ag1 S1 2.5023(16) . ? Ag1 I1 3.2571(6) . ? Ag2 S5 2.5082(16) . ? Ag2 S2 2.5289(15) . ? Ag2 S3 2.5454(16) . ? Ag2 I1 2.9931(6) . ? Ag3 S6 2.4951(14) . ? Ag3 S2 2.5052(14) . ? Ag3 S7 2.5463(15) . ? Ag4 S7 2.5444(15) . ? Ag4 S9 2.5480(15) . ? Ag4 S1 2.5631(14) . ? Ag4 I1 2.9766(6) . ? Ag5 S4 2.5175(19) . ? Ag5 S11 2.5316(13) . ? Ag5 S10 2.5502(15) . ? Ag5 I1 2.9980(6) . ? Ag6 O25 2.490(6) . ? Ag6 S5 2.5424(16) . ? Ag6 S4 2.5456(18) . ? Ag6 S12 2.5596(16) . ? Ag7 S8 2.5129(17) . ? Ag7 S6 2.5470(15) . ? Ag7 S12 2.5560(16) . ? Ag7 I1 2.9614(6) . ? Ag8 S11 2.5324(15) . ? Ag8 S8 2.5449(16) . ? Ag8 O26 2.563(5) . ? Ag8 S9 2.5633(15) . ? Pd1 N1 1.996(4) . ? Pd1 N2 2.060(4) . ? Pd1 S1 2.2547(15) . ? Pd1 S2 2.2707(15) . ? Pd2 N3 2.025(5) . ? Pd2 N4 2.064(5) . ? Pd2 S3 2.2655(17) . ? Pd2 S4 2.2771(17) . ? Pd3 N6 2.038(4) . ? Pd3 N5 2.065(4) . ? Pd3 S6 2.2782(15) . ? Pd3 S5 2.2876(15) . ? Pd4 N8 2.045(4) . ? Pd4 N7 2.049(4) . ? Pd4 S8 2.2564(15) . ? Pd4 S7 2.2565(14) . ? Pd5 N9 2.052(5) . ? Pd5 N10 2.109(4) . ? Pd5 S10 2.2629(15) . ? Pd5 S9 2.2747(15) . ? Pd6 N11 2.013(4) . ? Pd6 N12 2.042(5) . ? Pd6 S12 2.2580(16) . ? Pd6 S11 2.2661(14) . ? La1 O11 2.461(3) 5_675 ? La1 O3 2.478(4) 4_655 ? La1 O20 2.514(4) . ? La1 O29 2.576(4) . ? La1 O32 2.588(5) . ? La1 O31 2.592(5) . ? La1 O30 2.600(3) . ? La1 O27 2.625(6) . ? La1 O28 2.717(5) . ? La1 C61 3.057(9) . ? S1 C1 1.869(5) . ? S2 C6 1.875(5) . ? S3 C11 1.892(5) . ? S4 C16 1.839(7) . ? S5 C21 1.860(7) . ? S6 C26 1.858(5) . ? S7 C31 1.887(5) . ? S8 C36 1.850(6) . ? S9 C41 1.867(6) . ? S10 C46 1.874(5) . ? S11 C51 1.910(6) . ? S12 C56 1.837(6) . ? O1 C3 1.235(8) . ? O2 C3 1.210(8) . ? O3 C8 1.257(7) . ? O3 La1 2.478(4) 4_645 ? O4 C8 1.241(8) . ? O5 C13 1.194(5) . ? O6 C13 1.235(6) . ? O7A C18A 1.270(8) . ? O7B C18B 1.253(8) . ? O7B La3 2.857(9) . ? O8A C18A 1.256(9) . ? O8A La2 2.176(9) . ? O8B C18B 1.250(8) . ? O9 C23 1.220(6) . ? O9 La6 2.740(7) . ? O10 C23 1.225(6) . ? O11 C28 1.154(7) . ? O11 La1 2.461(3) 5_765 ? O12 C28 1.307(7) . ? O13 C33 1.250(7) . ? O14 C33 1.256(7) . ? O15 C38 1.227(9) . ? O16 C38 1.232(9) . ? O17 C43 1.170(10) . ? O17 La8 2.789(9) 3_465 ? O18 C43 1.369(10) . ? O19 C48 1.247(6) . ? O20 C48 1.260(6) . ? O21 C53 1.197(8) . ? O22 C53 1.328(7) . ? O23 C58 1.212(6) . ? O23 La8 2.374(8) . ? O23 La7 2.600(6) . ? O24 C58 1.182(5) . ? N1 C2 1.435(7) . ? N2 C7 1.493(6) . ? N3 C12 1.523(9) . ? N4 C17 1.403(9) . ? N5 C22 1.503(7) . ? N6 C27 1.493(6) . ? N7 C32 1.499(7) . ? N8 C37 1.459(8) . ? N9 C42 1.476(7) . ? N10 C47 1.408(6) . ? N11 C52 1.484(7) . ? N12 C57 1.569(7) . ? C1 C2 1.451(7) . ? C1 C4 1.517(8) . ? C1 C5 1.678(8) . ? C2 C3 1.612(8) . ? C6 C7 1.464(7) . ? C6 C10 1.533(8) . ? C6 C9 1.581(7) . ? C7 C8 1.574(8) . ? C11 C15 1.551(8) . ? C11 C14 1.590(8) . ? C11 C12 1.608(10) . ? C12 C13 1.614(6) . ? C16 C20 1.344(10) . ? C16 C19 1.484(10) . ? C16 C17 1.581(10) . ? C17 C18B 1.604(7) . ? C17 C18A 1.604(6) . ? C21 C22 1.547(8) . ? C21 C25 1.556(8) . ? C21 C24 1.561(8) . ? C22 C23 1.590(7) . ? C26 C29 1.507(7) . ? C26 C27 1.550(7) . ? C26 C30 1.618(8) . ? C27 C28 1.608(7) . ? C31 C35 1.456(7) . ? C31 C32 1.462(7) . ? C31 C34 1.486(8) . ? C32 C33 1.560(8) . ? C36 C37 1.435(9) . ? C36 C39 1.515(9) . ? C36 C40 1.529(9) . ? C37 C38 1.599(8) . ? C41 C42 1.490(7) . ? C41 C44 1.524(7) . ? C41 C45 1.555(8) . ? C42 C43 1.551(8) . ? C46 C47 1.476(7) . ? C46 C50 1.481(7) . ? C46 C49 1.483(7) . ? C47 C48 1.559(7) . ? C51 C55 1.501(8) . ? C51 C52 1.508(7) . ? C51 C54 1.520(8) . ? C52 C53 1.491(8) . ? C56 C59 1.430(9) . ? C56 C57 1.484(8) . ? C56 C60 1.555(9) . ? C57 C58 1.599(7) . ? O27 C61 1.541(11) . ? C61 O28 1.041(10) . ? C61 C62 1.674(13) . ? La6 O50 2.416(11) 3_565 ? La6 O44 2.620(10) 7_564 ? La6 O49 2.820(11) 3_565 ? La3 La3 2.960(9) 5_775 ? La4 La4 1.022(8) 5_775 ? La5 La5 2.727(12) 5_775 ? La7 La7 2.172(10) 6_556 ? La7 O44 2.696(11) . ? La8 La8 1.996(13) 6_556 ? La8 O17 2.790(9) 3_565 ? O44 La6 2.620(10) 8_645 ? O49 La6 2.820(11) 3_465 ? O50 La6 2.416(11) 3_465 ? 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 S10 Ag1 S3 118.84(5) . . ? S10 Ag1 S1 121.97(5) . . ? S3 Ag1 S1 117.19(5) . . ? S10 Ag1 I1 85.21(3) . . ? S3 Ag1 I1 82.29(4) . . ? S1 Ag1 I1 88.31(3) . . ? S5 Ag2 S2 126.18(5) . . ? S5 Ag2 S3 115.07(5) . . ? S2 Ag2 S3 118.67(5) . . ? S5 Ag2 I1 90.80(4) . . ? S2 Ag2 I1 94.66(4) . . ? S3 Ag2 I1 86.98(4) . . ? S6 Ag3 S2 126.18(5) . . ? S6 Ag3 S7 116.10(5) . . ? S2 Ag3 S7 113.49(5) . . ? S7 Ag4 S9 118.31(5) . . ? S7 Ag4 S1 116.82(5) . . ? S9 Ag4 S1 124.80(5) . . ? S7 Ag4 I1 87.25(4) . . ? S9 Ag4 I1 91.62(4) . . ? S1 Ag4 I1 93.60(4) . . ? S4 Ag5 S11 120.99(5) . . ? S4 Ag5 S10 125.59(5) . . ? S11 Ag5 S10 113.39(5) . . ? S4 Ag5 I1 92.20(4) . . ? S11 Ag5 I1 89.37(3) . . ? S10 Ag5 I1 89.85(3) . . ? O25 Ag6 S5 104.52(14) . . ? O25 Ag6 S4 99.72(14) . . ? S5 Ag6 S4 112.43(5) . . ? O25 Ag6 S12 104.34(14) . . ? S5 Ag6 S12 117.45(5) . . ? S4 Ag6 S12 115.58(6) . . ? S8 Ag7 S6 124.36(5) . . ? S8 Ag7 S12 118.66(5) . . ? S6 Ag7 S12 116.91(5) . . ? S8 Ag7 I1 91.53(3) . . ? S6 Ag7 I1 91.75(3) . . ? S12 Ag7 I1 89.26(4) . . ? S11 Ag8 S8 117.92(5) . . ? S11 Ag8 O26 103.87(13) . . ? S8 Ag8 O26 105.56(13) . . ? S11 Ag8 S9 112.44(5) . . ? S8 Ag8 S9 110.66(5) . . ? O26 Ag8 S9 105.06(12) . . ? N1 Pd1 N2 90.55(17) . . ? N1 Pd1 S1 85.07(14) . . ? N2 Pd1 S1 174.37(13) . . ? N1 Pd1 S2 173.39(13) . . ? N2 Pd1 S2 85.46(12) . . ? S1 Pd1 S2 99.22(5) . . ? N3 Pd2 N4 91.3(2) . . ? N3 Pd2 S3 85.79(15) . . ? N4 Pd2 S3 171.83(17) . . ? N3 Pd2 S4 172.62(16) . . ? N4 Pd2 S4 85.84(15) . . ? S3 Pd2 S4 97.91(6) . . ? N6 Pd3 N5 91.86(16) . . ? N6 Pd3 S6 85.11(11) . . ? N5 Pd3 S6 176.50(13) . . ? N6 Pd3 S5 176.17(12) . . ? N5 Pd3 S5 84.81(13) . . ? S6 Pd3 S5 98.28(5) . . ? N8 Pd4 N7 91.41(17) . . ? N8 Pd4 S8 83.58(13) . . ? N7 Pd4 S8 172.50(12) . . ? N8 Pd4 S7 177.71(13) . . ? N7 Pd4 S7 86.31(12) . . ? S8 Pd4 S7 98.67(5) . . ? N9 Pd5 N10 95.85(18) . . ? N9 Pd5 S10 174.35(14) . . ? N10 Pd5 S10 83.27(12) . . ? N9 Pd5 S9 83.42(14) . . ? N10 Pd5 S9 171.44(12) . . ? S10 Pd5 S9 98.28(5) . . ? N11 Pd6 N12 92.02(19) . . ? N11 Pd6 S12 175.01(13) . . ? N12 Pd6 S12 83.61(15) . . ? N11 Pd6 S11 85.35(13) . . ? N12 Pd6 S11 175.86(15) . . ? S12 Pd6 S11 99.14(5) . . ? Ag7 I1 Ag4 109.297(17) . . ? Ag7 I1 Ag2 109.417(17) . . ? Ag4 I1 Ag2 107.459(16) . . ? Ag7 I1 Ag5 111.564(16) . . ? Ag4 I1 Ag5 109.417(17) . . ? Ag2 I1 Ag5 109.594(16) . . ? Ag7 I1 Ag1 176.926(19) . . ? Ag4 I1 Ag1 67.640(14) . . ? Ag2 I1 Ag1 72.250(14) . . ? Ag5 I1 Ag1 69.817(14) . . ? O11 La1 O3 78.08(13) 5_675 4_655 ? O11 La1 O20 138.02(11) 5_675 . ? O3 La1 O20 140.15(13) 4_655 . ? O11 La1 O29 76.33(12) 5_675 . ? O3 La1 O29 70.66(13) 4_655 . ? O20 La1 O29 124.84(12) . . ? O11 La1 O32 145.07(14) 5_675 . ? O3 La1 O32 85.61(15) 4_655 . ? O20 La1 O32 70.56(13) . . ? O29 La1 O32 69.14(15) . . ? O11 La1 O31 130.34(14) 5_675 . ? O3 La1 O31 71.17(15) 4_655 . ? O20 La1 O31 70.88(14) . . ? O29 La1 O31 125.28(14) . . ? O32 La1 O31 70.25(17) . . ? O11 La1 O30 84.60(11) 5_675 . ? O3 La1 O30 138.40(12) 4_655 . ? O20 La1 O30 73.71(11) . . ? O29 La1 O30 68.59(11) . . ? O32 La1 O30 87.63(15) . . ? O31 La1 O30 142.79(13) . . ? O11 La1 O27 78.97(15) 5_675 . ? O3 La1 O27 100.11(17) 4_655 . ? O20 La1 O27 77.48(16) . . ? O29 La1 O27 154.93(15) . . ? O32 La1 O27 134.76(17) . . ? O31 La1 O27 69.50(17) . . ? O30 La1 O27 113.35(15) . . ? O11 La1 O28 67.90(13) 5_675 . ? O3 La1 O28 137.46(15) 4_655 . ? O20 La1 O28 70.31(13) . . ? O29 La1 O28 121.92(14) . . ? O32 La1 O28 136.63(15) . . ? O31 La1 O28 112.75(16) . . ? O30 La1 O28 63.99(13) . . ? O27 La1 O28 49.90(17) . . ? O11 La1 C61 69.65(18) 5_675 . ? O3 La1 C61 123.6(2) 4_655 . ? O20 La1 C61 72.48(18) . . ? O29 La1 C61 137.65(19) . . ? O32 La1 C61 143.0(2) . . ? O31 La1 C61 96.3(2) . . ? O30 La1 C61 83.54(19) . . ? O27 La1 C61 30.3(2) . . ? O28 La1 C61 19.7(2) . . ? C1 S1 Pd1 99.35(17) . . ? C1 S1 Ag1 117.31(18) . . ? Pd1 S1 Ag1 125.50(6) . . ? C1 S1 Ag4 112.61(17) . . ? Pd1 S1 Ag4 115.97(6) . . ? Ag1 S1 Ag4 86.70(4) . . ? C6 S2 Pd1 98.32(16) . . ? C6 S2 Ag3 118.08(17) . . ? Pd1 S2 Ag3 120.51(6) . . ? C6 S2 Ag2 112.95(16) . . ? Pd1 S2 Ag2 121.75(6) . . ? Ag3 S2 Ag2 86.76(4) . . ? C11 S3 Pd2 101.1(2) . . ? C11 S3 Ag1 109.86(18) . . ? Pd2 S3 Ag1 120.17(7) . . ? C11 S3 Ag2 109.97(19) . . ? Pd2 S3 Ag2 121.43(6) . . ? Ag1 S3 Ag2 94.27(5) . . ? C16 S4 Pd2 97.5(2) . . ? C16 S4 Ag5 108.9(2) . . ? Pd2 S4 Ag5 111.94(7) . . ? C16 S4 Ag6 118.1(2) . . ? Pd2 S4 Ag6 122.56(7) . . ? Ag5 S4 Ag6 97.95(6) . . ? C21 S5 Pd3 100.0(2) . . ? C21 S5 Ag2 110.0(2) . . ? Pd3 S5 Ag2 116.36(6) . . ? C21 S5 Ag6 112.95(19) . . ? Pd3 S5 Ag6 115.64(6) . . ? Ag2 S5 Ag6 102.21(6) . . ? C26 S6 Pd3 101.57(18) . . ? C26 S6 Ag3 113.42(18) . . ? Pd3 S6 Ag3 117.16(6) . . ? C26 S6 Ag7 113.05(17) . . ? Pd3 S6 Ag7 119.43(6) . . ? Ag3 S6 Ag7 92.92(5) . . ? C31 S7 Pd4 99.96(15) . . ? C31 S7 Ag4 110.84(16) . . ? Pd4 S7 Ag4 114.18(6) . . ? C31 S7 Ag3 110.53(16) . . ? Pd4 S7 Ag3 123.99(6) . . ? Ag4 S7 Ag3 97.54(5) . . ? C36 S8 Pd4 96.0(2) . . ? C36 S8 Ag7 112.3(2) . . ? Pd4 S8 Ag7 115.72(6) . . ? C36 S8 Ag8 113.8(2) . . ? Pd4 S8 Ag8 120.06(7) . . ? Ag7 S8 Ag8 99.75(5) . . ? C41 S9 Pd5 97.98(18) . . ? C41 S9 Ag4 111.58(18) . . ? Pd5 S9 Ag4 113.59(6) . . ? C41 S9 Ag8 113.05(16) . . ? Pd5 S9 Ag8 119.22(6) . . ? Ag4 S9 Ag8 101.88(5) . . ? C46 S10 Pd5 101.58(17) . . ? C46 S10 Ag1 110.93(17) . . ? Pd5 S10 Ag1 119.32(6) . . ? C46 S10 Ag5 113.05(17) . . ? Pd5 S10 Ag5 121.59(6) . . ? Ag1 S10 Ag5 90.72(5) . . ? C51 S11 Pd6 99.97(17) . . ? C51 S11 Ag5 108.60(17) . . ? Pd6 S11 Ag5 115.89(6) . . ? C51 S11 Ag8 112.20(19) . . ? Pd6 S11 Ag8 115.83(6) . . ? Ag5 S11 Ag8 104.39(5) . . ? C56 S12 Pd6 101.06(18) . . ? C56 S12 Ag7 107.29(15) . . ? Pd6 S12 Ag7 118.67(6) . . ? C56 S12 Ag6 112.21(19) . . ? Pd6 S12 Ag6 118.37(6) . . ? Ag7 S12 Ag6 99.23(5) . . ? C8 O3 La1 145.6(4) . 4_645 ? C18B O7B La3 146.6(5) . . ? C18A O8A La2 139.5(6) . . ? C23 O9 La6 117.5(4) . . ? C28 O11 La1 137.0(4) . 5_765 ? C43 O17 La8 119.7(5) . 3_465 ? C48 O20 La1 139.9(3) . . ? C58 O23 La8 159.5(5) . . ? C58 O23 La7 165.6(5) . . ? C2 N1 Pd1 115.9(3) . . ? C7 N2 Pd1 115.3(3) . . ? C12 N3 Pd2 114.1(4) . . ? C17 N4 Pd2 115.4(4) . . ? C22 N5 Pd3 114.6(3) . . ? C27 N6 Pd3 113.2(3) . . ? C32 N7 Pd4 112.3(3) . . ? C37 N8 Pd4 119.1(4) . . ? C42 N9 Pd5 117.8(3) . . ? C47 N10 Pd5 113.3(3) . . ? C52 N11 Pd6 118.9(3) . . ? C57 N12 Pd6 115.9(4) . . ? C2 C1 C4 113.4(5) . . ? C2 C1 C5 111.7(5) . . ? C4 C1 C5 111.3(4) . . ? C2 C1 S1 105.6(4) . . ? C4 C1 S1 110.2(3) . . ? C5 C1 S1 104.1(4) . . ? N1 C2 C1 113.1(4) . . ? N1 C2 C3 112.3(5) . . ? C1 C2 C3 109.6(4) . . ? O2 C3 O1 124.5(6) . . ? O2 C3 C2 122.5(6) . . ? O1 C3 C2 112.9(5) . . ? C7 C6 C10 114.7(5) . . ? C7 C6 C9 114.5(4) . . ? C10 C6 C9 111.6(4) . . ? C7 C6 S2 106.5(3) . . ? C10 C6 S2 102.9(4) . . ? C9 C6 S2 105.4(3) . . ? C6 C7 N2 112.4(4) . . ? C6 C7 C8 114.1(4) . . ? N2 C7 C8 107.6(4) . . ? O4 C8 O3 129.9(6) . . ? O4 C8 C7 116.1(5) . . ? O3 C8 C7 113.3(5) . . ? C15 C11 C14 114.4(5) . . ? C15 C11 C12 113.0(5) . . ? C14 C11 C12 113.1(5) . . ? C15 C11 S3 108.3(4) . . ? C14 C11 S3 106.2(3) . . ? C12 C11 S3 100.4(3) . . ? N3 C12 C11 107.5(4) . . ? N3 C12 C13 107.1(5) . . ? C11 C12 C13 105.7(5) . . ? O5 C13 O6 129.4(4) . . ? O5 C13 C12 123.3(4) . . ? O6 C13 C12 107.2(4) . . ? C20 C16 C19 107.2(6) . . ? C20 C16 C17 115.8(6) . . ? C19 C16 C17 112.8(5) . . ? C20 C16 S4 105.4(5) . . ? C19 C16 S4 111.1(5) . . ? C17 C16 S4 104.2(4) . . ? N4 C17 C16 111.8(5) . . ? N4 C17 C18B 117.3(5) . . ? C16 C17 C18B 117.7(5) . . ? N4 C17 C18A 101.5(5) . . ? C16 C17 C18A 100.8(5) . . ? O8A C18A O7A 121.1(7) . . ? O8A C18A C17 105.8(6) . . ? O7A C18A C17 128.9(6) . . ? O8B C18B O7B 124.9(7) . . ? O8B C18B C17 124.1(6) . . ? O7B C18B C17 105.1(6) . . ? C22 C21 C25 116.7(5) . . ? C22 C21 C24 112.1(5) . . ? C25 C21 C24 110.6(5) . . ? C22 C21 S5 104.0(4) . . ? C25 C21 S5 105.4(4) . . ? C24 C21 S5 107.2(4) . . ? N5 C22 C21 108.6(4) . . ? N5 C22 C23 109.6(4) . . ? C21 C22 C23 109.0(5) . . ? O9 C23 O10 130.7(6) . . ? O9 C23 C22 114.1(5) . . ? O10 C23 C22 113.1(5) . . ? C29 C26 C27 110.9(4) . . ? C29 C26 C30 110.7(4) . . ? C27 C26 C30 113.7(4) . . ? C29 C26 S6 110.6(4) . . ? C27 C26 S6 104.5(3) . . ? C30 C26 S6 106.3(3) . . ? N6 C27 C26 109.8(4) . . ? N6 C27 C28 108.3(4) . . ? C26 C27 C28 115.3(4) . . ? O11 C28 O12 131.1(5) . . ? O11 C28 C27 117.9(5) . . ? O12 C28 C27 110.9(5) . . ? C35 C31 C32 117.5(4) . . ? C35 C31 C34 111.2(4) . . ? C32 C31 C34 108.1(4) . . ? C35 C31 S7 109.4(3) . . ? C32 C31 S7 104.8(3) . . ? C34 C31 S7 105.0(3) . . ? C31 C32 N7 113.7(4) . . ? C31 C32 C33 115.5(4) . . ? N7 C32 C33 108.5(4) . . ? O13 C33 O14 124.3(5) . . ? O13 C33 C32 117.9(5) . . ? O14 C33 C32 117.5(5) . . ? C37 C36 C39 115.7(5) . . ? C37 C36 C40 112.5(5) . . ? C39 C36 C40 104.0(5) . . ? C37 C36 S8 110.6(4) . . ? C39 C36 S8 108.0(4) . . ? C40 C36 S8 105.3(4) . . ? C36 C37 N8 104.1(5) . . ? C36 C37 C38 114.5(6) . . ? N8 C37 C38 105.6(5) . . ? O15 C38 O16 125.6(6) . . ? O15 C38 C37 120.9(6) . . ? O16 C38 C37 112.5(6) . . ? C42 C41 C44 116.7(4) . . ? C42 C41 C45 109.5(4) . . ? C44 C41 C45 111.2(5) . . ? C42 C41 S9 105.9(4) . . ? C44 C41 S9 109.2(3) . . ? C45 C41 S9 103.4(4) . . ? N9 C42 C41 106.0(4) . . ? N9 C42 C43 109.9(5) . . ? C41 C42 C43 110.0(4) . . ? O17 C43 O18 131.1(7) . . ? O17 C43 C42 121.8(7) . . ? O18 C43 C42 107.1(6) . . ? C47 C46 C50 110.4(4) . . ? C47 C46 C49 113.2(4) . . ? C50 C46 C49 114.4(4) . . ? C47 C46 S10 102.6(3) . . ? C50 C46 S10 107.1(3) . . ? C49 C46 S10 108.2(4) . . ? N10 C47 C46 115.2(4) . . ? N10 C47 C48 108.5(4) . . ? C46 C47 C48 111.7(4) . . ? O19 C48 O20 124.7(5) . . ? O19 C48 C47 118.0(5) . . ? O20 C48 C47 117.2(4) . . ? C55 C51 C52 117.5(5) . . ? C55 C51 C54 109.2(5) . . ? C52 C51 C54 108.4(5) . . ? C55 C51 S11 106.8(4) . . ? C52 C51 S11 105.9(4) . . ? C54 C51 S11 108.8(4) . . ? N11 C52 C53 112.3(4) . . ? N11 C52 C51 111.8(4) . . ? C53 C52 C51 110.8(5) . . ? O21 C53 O22 125.5(6) . . ? O21 C53 C52 119.3(6) . . ? O22 C53 C52 115.2(5) . . ? C59 C56 C57 116.6(5) . . ? C59 C56 C60 114.5(6) . . ? C57 C56 C60 105.1(5) . . ? C59 C56 S12 108.5(5) . . ? C57 C56 S12 105.2(4) . . ? C60 C56 S12 106.1(4) . . ? C56 C57 N12 106.4(5) . . ? C56 C57 C58 111.3(5) . . ? N12 C57 C58 109.3(4) . . ? O24 C58 O23 131.9(5) . . ? O24 C58 C57 114.8(4) . . ? O23 C58 C57 110.6(4) . . ? C61 O27 La1 90.5(4) . . ? O28 C61 O27 120.4(8) . . ? O28 C61 C62 138.4(9) . . ? O27 C61 C62 100.6(6) . . ? O28 C61 La1 61.4(5) . . ? O27 C61 La1 59.2(4) . . ? C62 C61 La1 159.7(6) . . ? C61 O28 La1 99.0(6) . . ? O50 La6 O44 157.1(4) 3_565 7_564 ? O50 La6 O9 72.7(3) 3_565 . ? O44 La6 O9 87.2(3) 7_564 . ? O50 La6 O49 79.8(3) 3_565 3_565 ? O44 La6 O49 86.0(3) 7_564 3_565 ? O9 La6 O49 79.5(2) . 3_565 ? O7B La3 La3 107.5(2) . 5_775 ? La7 La7 O23 136.3(3) 6_556 . ? La7 La7 O44 113.1(2) 6_556 . ? O23 La7 O44 85.7(3) . . ? La8 La8 O23 170.0(3) 6_556 . ? La8 La8 O17 100.8(3) 6_556 3_565 ? O23 La8 O17 85.9(3) . 3_565 ? 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 S8 Ag7 I1 Ag4 -29.93(4) . . . . ? S6 Ag7 I1 Ag4 94.52(4) . . . . ? S12 Ag7 I1 Ag4 -148.58(4) . . . . ? S8 Ag7 I1 Ag2 -147.35(4) . . . . ? S6 Ag7 I1 Ag2 -22.90(4) . . . . ? S12 Ag7 I1 Ag2 94.00(4) . . . . ? S8 Ag7 I1 Ag5 91.21(4) . . . . ? S6 Ag7 I1 Ag5 -144.34(4) . . . . ? S12 Ag7 I1 Ag5 -27.44(4) . . . . ? S7 Ag4 I1 Ag7 -30.82(4) . . . . ? S9 Ag4 I1 Ag7 87.45(4) . . . . ? S1 Ag4 I1 Ag7 -147.53(4) . . . . ? S7 Ag4 I1 Ag2 87.83(3) . . . . ? S9 Ag4 I1 Ag2 -153.91(3) . . . . ? S1 Ag4 I1 Ag2 -28.89(4) . . . . ? S7 Ag4 I1 Ag5 -153.25(3) . . . . ? S9 Ag4 I1 Ag5 -34.98(4) . . . . ? S1 Ag4 I1 Ag5 90.03(4) . . . . ? S7 Ag4 I1 Ag1 149.47(3) . . . . ? S9 Ag4 I1 Ag1 -92.26(3) . . . . ? S1 Ag4 I1 Ag1 32.76(3) . . . . ? S5 Ag2 I1 Ag7 -35.60(4) . . . . ? S2 Ag2 I1 Ag7 90.80(4) . . . . ? S3 Ag2 I1 Ag7 -150.66(4) . . . . ? S5 Ag2 I1 Ag4 -154.17(4) . . . . ? S2 Ag2 I1 Ag4 -27.76(4) . . . . ? S3 Ag2 I1 Ag4 90.77(4) . . . . ? S5 Ag2 I1 Ag5 87.02(4) . . . . ? S2 Ag2 I1 Ag5 -146.57(3) . . . . ? S3 Ag2 I1 Ag5 -28.04(4) . . . . ? S5 Ag2 I1 Ag1 147.12(4) . . . . ? S2 Ag2 I1 Ag1 -86.47(3) . . . . ? S3 Ag2 I1 Ag1 32.06(4) . . . . ? S4 Ag5 I1 Ag7 89.89(4) . . . . ? S11 Ag5 I1 Ag7 -31.10(4) . . . . ? S10 Ag5 I1 Ag7 -144.49(4) . . . . ? S4 Ag5 I1 Ag4 -149.04(4) . . . . ? S11 Ag5 I1 Ag4 89.97(4) . . . . ? S10 Ag5 I1 Ag4 -23.42(4) . . . . ? S4 Ag5 I1 Ag2 -31.45(4) . . . . ? S11 Ag5 I1 Ag2 -152.44(4) . . . . ? S10 Ag5 I1 Ag2 94.17(4) . . . . ? S4 Ag5 I1 Ag1 -93.05(4) . . . . ? S11 Ag5 I1 Ag1 145.96(4) . . . . ? S10 Ag5 I1 Ag1 32.57(3) . . . . ? S10 Ag1 I1 Ag4 88.68(4) . . . . ? S3 Ag1 I1 Ag4 -151.33(4) . . . . ? S1 Ag1 I1 Ag4 -33.60(3) . . . . ? S10 Ag1 I1 Ag2 -153.13(4) . . . . ? S3 Ag1 I1 Ag2 -33.15(4) . . . . ? S1 Ag1 I1 Ag2 84.58(4) . . . . ? S10 Ag1 I1 Ag5 -33.60(4) . . . . ? S3 Ag1 I1 Ag5 86.38(4) . . . . ? S1 Ag1 I1 Ag5 -155.89(4) . . . . ? N1 Pd1 S1 C1 8.6(2) . . . . ? S2 Pd1 S1 C1 -176.50(17) . . . . ? N1 Pd1 S1 Ag1 -124.94(15) . . . . ? S2 Pd1 S1 Ag1 49.99(8) . . . . ? N1 Pd1 S1 Ag4 129.47(14) . . . . ? S2 Pd1 S1 Ag4 -55.60(7) . . . . ? S10 Ag1 S1 C1 67.06(19) . . . . ? S3 Ag1 S1 C1 -129.22(19) . . . . ? I1 Ag1 S1 C1 150.34(19) . . . . ? S10 Ag1 S1 Pd1 -166.59(6) . . . . ? S3 Ag1 S1 Pd1 -2.87(9) . . . . ? I1 Ag1 S1 Pd1 -83.31(7) . . . . ? S10 Ag1 S1 Ag4 -46.75(6) . . . . ? S3 Ag1 S1 Ag4 116.98(5) . . . . ? I1 Ag1 S1 Ag4 36.53(3) . . . . ? S7 Ag4 S1 C1 112.3(2) . . . . ? S9 Ag4 S1 C1 -64.5(2) . . . . ? I1 Ag4 S1 C1 -159.00(19) . . . . ? S7 Ag4 S1 Pd1 -1.23(8) . . . . ? S9 Ag4 S1 Pd1 -178.00(6) . . . . ? I1 Ag4 S1 Pd1 87.51(6) . . . . ? S7 Ag4 S1 Ag1 -129.46(5) . . . . ? S9 Ag4 S1 Ag1 53.77(6) . . . . ? I1 Ag4 S1 Ag1 -40.72(4) . . . . ? N2 Pd1 S2 C6 17.3(2) . . . . ? S1 Pd1 S2 C6 -165.85(16) . . . . ? N2 Pd1 S2 Ag3 -112.37(13) . . . . ? S1 Pd1 S2 Ag3 64.48(7) . . . . ? N2 Pd1 S2 Ag2 140.92(13) . . . . ? S1 Pd1 S2 Ag2 -42.22(8) . . . . ? S6 Ag3 S2 C6 73.17(19) . . . . ? S7 Ag3 S2 C6 -131.04(18) . . . . ? S6 Ag3 S2 Pd1 -166.52(6) . . . . ? S7 Ag3 S2 Pd1 -10.73(9) . . . . ? S6 Ag3 S2 Ag2 -41.19(7) . . . . ? S7 Ag3 S2 Ag2 114.60(5) . . . . ? S5 Ag2 S2 C6 -68.98(18) . . . . ? S3 Ag2 S2 C6 107.50(18) . . . . ? I1 Ag2 S2 C6 -163.40(17) . . . . ? S5 Ag2 S2 Pd1 174.48(6) . . . . ? S3 Ag2 S2 Pd1 -9.03(9) . . . . ? I1 Ag2 S2 Pd1 80.07(6) . . . . ? S5 Ag2 S2 Ag3 50.23(7) . . . . ? S3 Ag2 S2 Ag3 -133.29(5) . . . . ? I1 Ag2 S2 Ag3 -44.19(4) . . . . ? N3 Pd2 S3 C11 13.0(2) . . . . ? S4 Pd2 S3 C11 -173.45(18) . . . . ? N3 Pd2 S3 Ag1 -108.02(18) . . . . ? S4 Pd2 S3 Ag1 65.56(8) . . . . ? N3 Pd2 S3 Ag2 134.85(18) . . . . ? S4 Pd2 S3 Ag2 -51.57(8) . . . . ? S10 Ag1 S3 C11 -128.9(2) . . . . ? S1 Ag1 S3 C11 66.8(2) . . . . ? I1 Ag1 S3 C11 150.9(2) . . . . ? S10 Ag1 S3 Pd2 -12.35(9) . . . . ? S1 Ag1 S3 Pd2 -176.60(6) . . . . ? I1 Ag1 S3 Pd2 -92.52(6) . . . . ? S10 Ag1 S3 Ag2 118.05(5) . . . . ? S1 Ag1 S3 Ag2 -46.20(6) . . . . ? I1 Ag1 S3 Ag2 37.88(3) . . . . ? S5 Ag2 S3 C11 116.1(2) . . . . ? S2 Ag2 S3 C11 -60.8(2) . . . . ? I1 Ag2 S3 C11 -154.5(2) . . . . ? S5 Ag2 S3 Pd2 -1.50(9) . . . . ? S2 Ag2 S3 Pd2 -178.36(6) . . . . ? I1 Ag2 S3 Pd2 87.97(7) . . . . ? S5 Ag2 S3 Ag1 -131.01(5) . . . . ? S2 Ag2 S3 Ag1 52.13(6) . . . . ? I1 Ag2 S3 Ag1 -41.54(4) . . . . ? N4 Pd2 S4 C16 20.0(3) . . . . ? S3 Pd2 S4 C16 -167.3(2) . . . . ? N4 Pd2 S4 Ag5 133.89(17) . . . . ? S3 Pd2 S4 Ag5 -53.41(7) . . . . ? N4 Pd2 S4 Ag6 -110.38(18) . . . . ? S3 Pd2 S4 Ag6 62.32(9) . . . . ? S11 Ag5 S4 C16 -75.4(2) . . . . ? S10 Ag5 S4 C16 102.7(2) . . . . ? I1 Ag5 S4 C16 -166.0(2) . . . . ? S11 Ag5 S4 Pd2 178.01(5) . . . . ? S10 Ag5 S4 Pd2 -3.97(10) . . . . ? I1 Ag5 S4 Pd2 87.42(6) . . . . ? S11 Ag5 S4 Ag6 48.06(7) . . . . ? S10 Ag5 S4 Ag6 -133.91(5) . . . . ? I1 Ag5 S4 Ag6 -42.53(5) . . . . ? O25 Ag6 S4 C16 -27.9(3) . . . . ? S5 Ag6 S4 C16 -138.1(2) . . . . ? S12 Ag6 S4 C16 83.3(3) . . . . ? O25 Ag6 S4 Pd2 93.26(15) . . . . ? S5 Ag6 S4 Pd2 -16.97(10) . . . . ? S12 Ag6 S4 Pd2 -155.60(7) . . . . ? O25 Ag6 S4 Ag5 -144.27(14) . . . . ? S5 Ag6 S4 Ag5 105.49(6) . . . . ? S12 Ag6 S4 Ag5 -33.14(7) . . . . ? N5 Pd3 S5 C21 13.6(2) . . . . ? S6 Pd3 S5 C21 -168.10(19) . . . . ? N5 Pd3 S5 Ag2 131.97(14) . . . . ? S6 Pd3 S5 Ag2 -49.69(7) . . . . ? N5 Pd3 S5 Ag6 -108.05(14) . . . . ? S6 Pd3 S5 Ag6 70.29(7) . . . . ? S2 Ag2 S5 C21 104.4(2) . . . . ? S3 Ag2 S5 C21 -72.2(2) . . . . ? I1 Ag2 S5 C21 -159.2(2) . . . . ? S2 Ag2 S5 Pd3 -8.41(10) . . . . ? S3 Ag2 S5 Pd3 174.99(6) . . . . ? I1 Ag2 S5 Pd3 87.96(6) . . . . ? S2 Ag2 S5 Ag6 -135.38(5) . . . . ? S3 Ag2 S5 Ag6 48.03(7) . . . . ? I1 Ag2 S5 Ag6 -39.01(4) . . . . ? O25 Ag6 S5 C21 -28.3(3) . . . . ? S4 Ag6 S5 C21 78.9(2) . . . . ? S12 Ag6 S5 C21 -143.3(2) . . . . ? O25 Ag6 S5 Pd3 86.09(15) . . . . ? S4 Ag6 S5 Pd3 -166.72(6) . . . . ? S12 Ag6 S5 Pd3 -28.92(9) . . . . ? O25 Ag6 S5 Ag2 -146.49(14) . . . . ? S4 Ag6 S5 Ag2 -39.29(7) . . . . ? S12 Ag6 S5 Ag2 98.50(6) . . . . ? N6 Pd3 S6 C26 4.4(2) . . . . ? S5 Pd3 S6 C26 -177.38(17) . . . . ? N6 Pd3 S6 Ag3 -119.71(12) . . . . ? S5 Pd3 S6 Ag3 58.49(7) . . . . ? N6 Pd3 S6 Ag7 129.48(12) . . . . ? S5 Pd3 S6 Ag7 -52.32(7) . . . . ? S2 Ag3 S6 C26 -127.67(19) . . . . ? S7 Ag3 S6 C26 77.09(19) . . . . ? S2 Ag3 S6 Pd3 -9.77(9) . . . . ? S7 Ag3 S6 Pd3 -165.01(6) . . . . ? S2 Ag3 S6 Ag7 115.63(6) . . . . ? S7 Ag3 S6 Ag7 -39.61(6) . . . . ? S8 Ag7 S6 C26 -64.3(2) . . . . ? S12 Ag7 S6 C26 112.56(19) . . . . ? I1 Ag7 S6 C26 -157.38(19) . . . . ? S8 Ag7 S6 Pd3 176.31(5) . . . . ? S12 Ag7 S6 Pd3 -6.81(8) . . . . ? I1 Ag7 S6 Pd3 83.25(6) . . . . ? S8 Ag7 S6 Ag3 52.69(6) . . . . ? S12 Ag7 S6 Ag3 -130.42(5) . . . . ? I1 Ag7 S6 Ag3 -40.36(4) . . . . ? N7 Pd4 S7 C31 9.6(2) . . . . ? S8 Pd4 S7 C31 -176.03(16) . . . . ? N7 Pd4 S7 Ag4 127.95(14) . . . . ? S8 Pd4 S7 Ag4 -57.68(7) . . . . ? N7 Pd4 S7 Ag3 -113.62(14) . . . . ? S8 Pd4 S7 Ag3 60.75(8) . . . . ? S9 Ag4 S7 C31 113.20(17) . . . . ? S1 Ag4 S7 C31 -63.79(18) . . . . ? I1 Ag4 S7 C31 -156.44(17) . . . . ? S9 Ag4 S7 Pd4 1.25(8) . . . . ? S1 Ag4 S7 Pd4 -175.74(6) . . . . ? I1 Ag4 S7 Pd4 91.61(6) . . . . ? S9 Ag4 S7 Ag3 -131.41(5) . . . . ? S1 Ag4 S7 Ag3 51.60(6) . . . . ? I1 Ag4 S7 Ag3 -41.04(4) . . . . ? S6 Ag3 S7 C31 -131.02(16) . . . . ? S2 Ag3 S7 C31 70.61(17) . . . . ? S6 Ag3 S7 Pd4 -12.64(9) . . . . ? S2 Ag3 S7 Pd4 -171.01(6) . . . . ? S6 Ag3 S7 Ag4 113.34(5) . . . . ? S2 Ag3 S7 Ag4 -45.03(6) . . . . ? N8 Pd4 S8 C36 14.6(2) . . . . ? S7 Pd4 S8 C36 -164.9(2) . . . . ? N8 Pd4 S8 Ag7 132.92(15) . . . . ? S7 Pd4 S8 Ag7 -46.65(7) . . . . ? N8 Pd4 S8 Ag8 -107.35(16) . . . . ? S7 Pd4 S8 Ag8 73.08(8) . . . . ? S6 Ag7 S8 C36 100.0(2) . . . . ? S12 Ag7 S8 C36 -76.8(2) . . . . ? I1 Ag7 S8 C36 -166.8(2) . . . . ? S6 Ag7 S8 Pd4 -8.74(9) . . . . ? S12 Ag7 S8 Pd4 174.43(6) . . . . ? I1 Ag7 S8 Pd4 84.43(6) . . . . ? S6 Ag7 S8 Ag8 -139.05(5) . . . . ? S12 Ag7 S8 Ag8 44.12(6) . . . . ? I1 Ag7 S8 Ag8 -45.88(4) . . . . ? S11 Ag8 S8 C36 92.9(2) . . . . ? O26 Ag8 S8 C36 -22.5(3) . . . . ? S9 Ag8 S8 C36 -135.6(2) . . . . ? S11 Ag8 S8 Pd4 -154.32(6) . . . . ? O26 Ag8 S8 Pd4 90.26(14) . . . . ? S9 Ag8 S8 Pd4 -22.90(8) . . . . ? S11 Ag8 S8 Ag7 -26.86(6) . . . . ? O26 Ag8 S8 Ag7 -142.28(13) . . . . ? S9 Ag8 S8 Ag7 104.56(5) . . . . ? N9 Pd5 S9 C41 15.9(2) . . . . ? S10 Pd5 S9 C41 -169.50(17) . . . . ? N9 Pd5 S9 Ag4 133.74(15) . . . . ? S10 Pd5 S9 Ag4 -51.70(7) . . . . ? N9 Pd5 S9 Ag8 -106.16(15) . . . . ? S10 Pd5 S9 Ag8 68.41(7) . . . . ? S7 Ag4 S9 C41 -74.08(18) . . . . ? S1 Ag4 S9 C41 102.65(18) . . . . ? I1 Ag4 S9 C41 -161.83(18) . . . . ? S7 Ag4 S9 Pd5 176.32(5) . . . . ? S1 Ag4 S9 Pd5 -6.96(9) . . . . ? I1 Ag4 S9 Pd5 88.57(6) . . . . ? S7 Ag4 S9 Ag8 46.81(7) . . . . ? S1 Ag4 S9 Ag8 -136.46(5) . . . . ? I1 Ag4 S9 Ag8 -40.94(4) . . . . ? S11 Ag8 S9 C41 -141.1(2) . . . . ? S8 Ag8 S9 C41 84.7(2) . . . . ? O26 Ag8 S9 C41 -28.8(2) . . . . ? S11 Ag8 S9 Pd5 -26.88(8) . . . . ? S8 Ag8 S9 Pd5 -161.08(6) . . . . ? O26 Ag8 S9 Pd5 85.44(15) . . . . ? S11 Ag8 S9 Ag4 99.01(6) . . . . ? S8 Ag8 S9 Ag4 -35.20(7) . . . . ? O26 Ag8 S9 Ag4 -148.68(14) . . . . ? N10 Pd5 S10 C46 11.0(2) . . . . ? S9 Pd5 S10 C46 -177.51(17) . . . . ? N10 Pd5 S10 Ag1 -111.26(13) . . . . ? S9 Pd5 S10 Ag1 60.25(7) . . . . ? N10 Pd5 S10 Ag5 137.51(13) . . . . ? S9 Pd5 S10 Ag5 -50.98(7) . . . . ? S3 Ag1 S10 C46 74.26(19) . . . . ? S1 Ag1 S10 C46 -122.28(18) . . . . ? I1 Ag1 S10 C46 152.73(18) . . . . ? S3 Ag1 S10 Pd5 -168.27(6) . . . . ? S1 Ag1 S10 Pd5 -4.80(9) . . . . ? I1 Ag1 S10 Pd5 -89.79(6) . . . . ? S3 Ag1 S10 Ag5 -40.83(6) . . . . ? S1 Ag1 S10 Ag5 122.63(5) . . . . ? I1 Ag1 S10 Ag5 37.64(3) . . . . ? S4 Ag5 S10 C46 -61.98(19) . . . . ? S11 Ag5 S10 C46 116.18(18) . . . . ? I1 Ag5 S10 C46 -154.57(18) . . . . ? S4 Ag5 S10 Pd5 176.83(6) . . . . ? S11 Ag5 S10 Pd5 -5.01(9) . . . . ? I1 Ag5 S10 Pd5 84.24(6) . . . . ? S4 Ag5 S10 Ag1 51.20(7) . . . . ? S11 Ag5 S10 Ag1 -130.64(5) . . . . ? I1 Ag5 S10 Ag1 -41.39(4) . . . . ? N11 Pd6 S11 C51 13.2(2) . . . . ? S12 Pd6 S11 C51 -169.02(18) . . . . ? N11 Pd6 S11 Ag5 129.62(14) . . . . ? S12 Pd6 S11 Ag5 -52.58(7) . . . . ? N11 Pd6 S11 Ag8 -107.56(14) . . . . ? S12 Pd6 S11 Ag8 70.24(7) . . . . ? S4 Ag5 S11 C51 106.0(2) . . . . ? S10 Ag5 S11 C51 -72.3(2) . . . . ? I1 Ag5 S11 C51 -161.82(19) . . . . ? S4 Ag5 S11 Pd6 -5.50(9) . . . . ? S10 Ag5 S11 Pd6 176.25(6) . . . . ? I1 Ag5 S11 Pd6 86.69(6) . . . . ? S4 Ag5 S11 Ag8 -134.15(6) . . . . ? S10 Ag5 S11 Ag8 47.60(7) . . . . ? I1 Ag5 S11 Ag8 -41.96(4) . . . . ? S8 Ag8 S11 C51 -145.19(18) . . . . ? O26 Ag8 S11 C51 -28.9(2) . . . . ? S9 Ag8 S11 C51 84.19(18) . . . . ? S8 Ag8 S11 Pd6 -31.29(8) . . . . ? O26 Ag8 S11 Pd6 85.05(14) . . . . ? S9 Ag8 S11 Pd6 -161.90(6) . . . . ? S8 Ag8 S11 Ag5 97.39(6) . . . . ? O26 Ag8 S11 Ag5 -146.27(13) . . . . ? S9 Ag8 S11 Ag5 -33.22(7) . . . . ? N12 Pd6 S12 C56 15.0(2) . . . . ? S11 Pd6 S12 C56 -168.07(17) . . . . ? N12 Pd6 S12 Ag7 131.92(16) . . . . ? S11 Pd6 S12 Ag7 -51.20(7) . . . . ? N12 Pd6 S12 Ag6 -107.87(16) . . . . ? S11 Pd6 S12 Ag6 69.02(7) . . . . ? S8 Ag7 S12 C56 107.0(2) . . . . ? S6 Ag7 S12 C56 -70.0(2) . . . . ? I1 Ag7 S12 C56 -161.6(2) . . . . ? S8 Ag7 S12 Pd6 -6.51(9) . . . . ? S6 Ag7 S12 Pd6 176.42(6) . . . . ? I1 Ag7 S12 Pd6 84.83(6) . . . . ? S8 Ag7 S12 Ag6 -136.12(5) . . . . ? S6 Ag7 S12 Ag6 46.81(7) . . . . ? I1 Ag7 S12 Ag6 -44.78(4) . . . . ? O25 Ag6 S12 C56 -32.6(2) . . . . ? S5 Ag6 S12 C56 82.56(17) . . . . ? S4 Ag6 S12 C56 -140.95(17) . . . . ? O25 Ag6 S12 Pd6 84.57(15) . . . . ? S5 Ag6 S12 Pd6 -160.31(6) . . . . ? S4 Ag6 S12 Pd6 -23.82(9) . . . . ? O25 Ag6 S12 Ag7 -145.61(14) . . . . ? S5 Ag6 S12 Ag7 -30.50(7) . . . . ? S4 Ag6 S12 Ag7 105.99(6) . . . . ? O11 La1 O20 C48 46.8(6) 5_675 . . . ? O3 La1 O20 C48 -165.0(5) 4_655 . . . ? O29 La1 O20 C48 -63.2(5) . . . . ? O32 La1 O20 C48 -108.3(5) . . . . ? O31 La1 O20 C48 176.6(6) . . . . ? O30 La1 O20 C48 -15.0(5) . . . . ? O27 La1 O20 C48 104.2(5) . . . . ? O28 La1 O20 C48 52.6(5) . . . . ? C61 La1 O20 C48 73.2(5) . . . . ? N2 Pd1 N1 C2 -166.5(4) . . . . ? S1 Pd1 N1 C2 17.0(4) . . . . ? N1 Pd1 N2 C7 -178.6(3) . . . . ? S2 Pd1 N2 C7 6.7(3) . . . . ? N4 Pd2 N3 C12 -168.3(5) . . . . ? S3 Pd2 N3 C12 19.4(4) . . . . ? N3 Pd2 N4 C17 -179.3(5) . . . . ? S4 Pd2 N4 C17 7.5(4) . . . . ? N6 Pd3 N5 C22 -165.7(4) . . . . ? S5 Pd3 N5 C22 16.2(3) . . . . ? N5 Pd3 N6 C27 -157.0(3) . . . . ? S6 Pd3 N6 C27 24.8(3) . . . . ? N8 Pd4 N7 C32 -163.8(3) . . . . ? S7 Pd4 N7 C32 16.0(3) . . . . ? N7 Pd4 N8 C37 -172.5(4) . . . . ? S8 Pd4 N8 C37 13.0(4) . . . . ? N10 Pd5 N9 C42 -175.0(4) . . . . ? S9 Pd5 N9 C42 13.5(4) . . . . ? N9 Pd5 N10 C47 -169.6(3) . . . . ? S10 Pd5 N10 C47 16.0(3) . . . . ? N12 Pd6 N11 C52 -172.8(4) . . . . ? S11 Pd6 N11 C52 10.4(4) . . . . ? N11 Pd6 N12 C57 -168.8(4) . . . . ? S12 Pd6 N12 C57 13.7(4) . . . . ? Pd1 S1 C1 C2 -32.3(4) . . . . ? Ag1 S1 C1 C2 106.1(4) . . . . ? Ag4 S1 C1 C2 -155.6(3) . . . . ? Pd1 S1 C1 C4 90.5(4) . . . . ? Ag1 S1 C1 C4 -131.1(3) . . . . ? Ag4 S1 C1 C4 -32.8(4) . . . . ? Pd1 S1 C1 C5 -150.0(3) . . . . ? Ag1 S1 C1 C5 -11.7(4) . . . . ? Ag4 S1 C1 C5 86.7(3) . . . . ? Pd1 N1 C2 C1 -46.1(6) . . . . ? Pd1 N1 C2 C3 -170.8(3) . . . . ? C4 C1 C2 N1 -70.3(6) . . . . ? C5 C1 C2 N1 162.9(5) . . . . ? S1 C1 C2 N1 50.5(5) . . . . ? C4 C1 C2 C3 55.9(6) . . . . ? C5 C1 C2 C3 -70.9(6) . . . . ? S1 C1 C2 C3 176.6(4) . . . . ? N1 C2 C3 O2 -153.2(6) . . . . ? C1 C2 C3 O2 80.2(7) . . . . ? N1 C2 C3 O1 29.9(7) . . . . ? C1 C2 C3 O1 -96.7(6) . . . . ? Pd1 S2 C6 C7 -40.8(3) . . . . ? Ag3 S2 C6 C7 90.4(3) . . . . ? Ag2 S2 C6 C7 -170.6(3) . . . . ? Pd1 S2 C6 C10 -161.8(4) . . . . ? Ag3 S2 C6 C10 -30.5(4) . . . . ? Ag2 S2 C6 C10 68.5(4) . . . . ? Pd1 S2 C6 C9 81.1(3) . . . . ? Ag3 S2 C6 C9 -147.6(3) . . . . ? Ag2 S2 C6 C9 -48.6(3) . . . . ? C10 C6 C7 N2 165.0(4) . . . . ? C9 C6 C7 N2 -64.1(5) . . . . ? S2 C6 C7 N2 51.9(5) . . . . ? C10 C6 C7 C8 -72.1(6) . . . . ? C9 C6 C7 C8 58.8(6) . . . . ? S2 C6 C7 C8 174.8(4) . . . . ? Pd1 N2 C7 C6 -37.6(5) . . . . ? Pd1 N2 C7 C8 -164.1(3) . . . . ? La1 O3 C8 O4 -14.4(12) 4_645 . . . ? La1 O3 C8 C7 155.5(5) 4_645 . . . ? C6 C7 C8 O4 65.3(7) . . . . ? N2 C7 C8 O4 -169.2(5) . . . . ? C6 C7 C8 O3 -106.1(6) . . . . ? N2 C7 C8 O3 19.4(6) . . . . ? Pd2 S3 C11 C15 -158.9(3) . . . . ? Ag1 S3 C11 C15 -30.9(4) . . . . ? Ag2 S3 C11 C15 71.5(4) . . . . ? Pd2 S3 C11 C14 77.8(4) . . . . ? Ag1 S3 C11 C14 -154.2(3) . . . . ? Ag2 S3 C11 C14 -51.8(4) . . . . ? Pd2 S3 C11 C12 -40.2(4) . . . . ? Ag1 S3 C11 C12 87.8(4) . . . . ? Ag2 S3 C11 C12 -169.8(3) . . . . ? Pd2 N3 C12 C11 -52.7(5) . . . . ? Pd2 N3 C12 C13 -165.9(4) . . . . ? C15 C11 C12 N3 173.8(4) . . . . ? C14 C11 C12 N3 -54.1(5) . . . . ? S3 C11 C12 N3 58.6(5) . . . . ? C15 C11 C12 C13 -72.0(6) . . . . ? C14 C11 C12 C13 60.0(6) . . . . ? S3 C11 C12 C13 172.7(4) . . . . ? N3 C12 C13 O5 19.9(8) . . . . ? C11 C12 C13 O5 -94.6(7) . . . . ? N3 C12 C13 O6 -155.7(5) . . . . ? C11 C12 C13 O6 89.9(6) . . . . ? Pd2 S4 C16 C20 -164.9(5) . . . . ? Ag5 S4 C16 C20 78.8(5) . . . . ? Ag6 S4 C16 C20 -31.6(6) . . . . ? Pd2 S4 C16 C19 79.3(4) . . . . ? Ag5 S4 C16 C19 -37.0(5) . . . . ? Ag6 S4 C16 C19 -147.4(4) . . . . ? Pd2 S4 C16 C17 -42.5(4) . . . . ? Ag5 S4 C16 C17 -158.8(4) . . . . ? Ag6 S4 C16 C17 90.8(4) . . . . ? Pd2 N4 C17 C16 -39.3(6) . . . . ? Pd2 N4 C17 C18B -179.7(5) . . . . ? Pd2 N4 C17 C18A -146.1(4) . . . . ? C20 C16 C17 N4 170.8(6) . . . . ? C19 C16 C17 N4 -65.1(6) . . . . ? S4 C16 C17 N4 55.5(5) . . . . ? C20 C16 C17 C18B -49.0(9) . . . . ? C19 C16 C17 C18B 75.1(8) . . . . ? S4 C16 C17 C18B -164.2(5) . . . . ? C20 C16 C17 C18A -82.0(7) . . . . ? C19 C16 C17 C18A 42.1(7) . . . . ? S4 C16 C17 C18A 162.8(4) . . . . ? La2 O8A C18A O7A 1.3(14) . . . . ? La2 O8A C18A C17 160.1(6) . . . . ? N4 C17 C18A O8A -146.5(6) . . . . ? C16 C17 C18A O8A 98.3(7) . . . . ? C18B C17 C18A O8A -24.9(5) . . . . ? N4 C17 C18A O7A 10.1(10) . . . . ? C16 C17 C18A O7A -105.1(9) . . . . ? C18B C17 C18A O7A 131.7(11) . . . . ? La3 O7B C18B O8B 9.5(18) . . . . ? La3 O7B C18B C17 163.1(8) . . . . ? N4 C17 C18B O8B -169.2(8) . . . . ? C16 C17 C18B O8B 52.7(11) . . . . ? C18A C17 C18B O8B 120.7(11) . . . . ? N4 C17 C18B O7B 36.8(9) . . . . ? C16 C17 C18B O7B -101.2(7) . . . . ? C18A C17 C18B O7B -33.2(6) . . . . ? Pd3 S5 C21 C22 -40.3(4) . . . . ? Ag2 S5 C21 C22 -163.3(3) . . . . ? Ag6 S5 C21 C22 83.2(4) . . . . ? Pd3 S5 C21 C25 -163.6(4) . . . . ? Ag2 S5 C21 C25 73.4(4) . . . . ? Ag6 S5 C21 C25 -40.1(4) . . . . ? Pd3 S5 C21 C24 78.5(4) . . . . ? Ag2 S5 C21 C24 -44.4(4) . . . . ? Ag6 S5 C21 C24 -157.9(3) . . . . ? Pd3 N5 C22 C21 -48.3(5) . . . . ? Pd3 N5 C22 C23 -167.2(4) . . . . ? C25 C21 C22 N5 172.7(5) . . . . ? C24 C21 C22 N5 -58.3(6) . . . . ? S5 C21 C22 N5 57.2(5) . . . . ? C25 C21 C22 C23 -67.9(6) . . . . ? C24 C21 C22 C23 61.1(6) . . . . ? S5 C21 C22 C23 176.5(4) . . . . ? La6 O9 C23 O10 -13.1(14) . . . . ? La6 O9 C23 C22 -175.2(4) . . . . ? N5 C22 C23 O9 17.5(9) . . . . ? C21 C22 C23 O9 -101.2(8) . . . . ? N5 C22 C23 O10 -147.8(7) . . . . ? C21 C22 C23 O10 93.5(8) . . . . ? Pd3 S6 C26 C29 88.6(4) . . . . ? Ag3 S6 C26 C29 -144.8(3) . . . . ? Ag7 S6 C26 C29 -40.6(4) . . . . ? Pd3 S6 C26 C27 -30.7(3) . . . . ? Ag3 S6 C26 C27 95.9(3) . . . . ? Ag7 S6 C26 C27 -160.0(3) . . . . ? Pd3 S6 C26 C30 -151.2(3) . . . . ? Ag3 S6 C26 C30 -24.6(4) . . . . ? Ag7 S6 C26 C30 79.6(3) . . . . ? Pd3 N6 C27 C26 -53.4(4) . . . . ? Pd3 N6 C27 C28 179.9(3) . . . . ? C29 C26 C27 N6 -65.8(5) . . . . ? C30 C26 C27 N6 168.8(4) . . . . ? S6 C26 C27 N6 53.4(4) . . . . ? C29 C26 C27 C28 56.8(6) . . . . ? C30 C26 C27 C28 -68.6(5) . . . . ? S6 C26 C27 C28 176.0(4) . . . . ? La1 O11 C28 O12 83.3(8) 5_765 . . . ? La1 O11 C28 C27 -99.5(6) 5_765 . . . ? N6 C27 C28 O11 12.6(7) . . . . ? C26 C27 C28 O11 -110.8(6) . . . . ? N6 C27 C28 O12 -169.6(4) . . . . ? C26 C27 C28 O12 67.0(6) . . . . ? Pd4 S7 C31 C35 -161.2(3) . . . . ? Ag4 S7 C31 C35 78.0(4) . . . . ? Ag3 S7 C31 C35 -29.0(4) . . . . ? Pd4 S7 C31 C32 -34.4(3) . . . . ? Ag4 S7 C31 C32 -155.2(3) . . . . ? Ag3 S7 C31 C32 97.8(3) . . . . ? Pd4 S7 C31 C34 79.4(3) . . . . ? Ag4 S7 C31 C34 -41.4(3) . . . . ? Ag3 S7 C31 C34 -148.4(3) . . . . ? C35 C31 C32 N7 174.7(4) . . . . ? C34 C31 C32 N7 -58.5(5) . . . . ? S7 C31 C32 N7 53.1(5) . . . . ? C35 C31 C32 C33 -58.8(6) . . . . ? C34 C31 C32 C33 67.9(6) . . . . ? S7 C31 C32 C33 179.5(4) . . . . ? Pd4 N7 C32 C31 -46.8(5) . . . . ? Pd4 N7 C32 C33 -176.8(3) . . . . ? C31 C32 C33 O13 -99.0(6) . . . . ? N7 C32 C33 O13 30.0(6) . . . . ? C31 C32 C33 O14 75.1(6) . . . . ? N7 C32 C33 O14 -155.8(5) . . . . ? Pd4 S8 C36 C37 -44.1(5) . . . . ? Ag7 S8 C36 C37 -165.1(4) . . . . ? Ag8 S8 C36 C37 82.5(5) . . . . ? Pd4 S8 C36 C39 83.4(4) . . . . ? Ag7 S8 C36 C39 -37.6(5) . . . . ? Ag8 S8 C36 C39 -150.0(4) . . . . ? Pd4 S8 C36 C40 -166.0(4) . . . . ? Ag7 S8 C36 C40 73.1(4) . . . . ? Ag8 S8 C36 C40 -39.3(5) . . . . ? C39 C36 C37 N8 -66.9(6) . . . . ? C40 C36 C37 N8 173.8(5) . . . . ? S8 C36 C37 N8 56.3(5) . . . . ? C39 C36 C37 C38 47.8(7) . . . . ? C40 C36 C37 C38 -71.5(7) . . . . ? S8 C36 C37 C38 171.0(5) . . . . ? Pd4 N8 C37 C36 -43.4(6) . . . . ? Pd4 N8 C37 C38 -164.3(4) . . . . ? C36 C37 C38 O15 -89.3(9) . . . . ? N8 C37 C38 O15 24.6(9) . . . . ? C36 C37 C38 O16 79.9(9) . . . . ? N8 C37 C38 O16 -166.3(7) . . . . ? Pd5 S9 C41 C42 -44.4(3) . . . . ? Ag4 S9 C41 C42 -163.7(3) . . . . ? Ag8 S9 C41 C42 82.2(3) . . . . ? Pd5 S9 C41 C44 82.1(4) . . . . ? Ag4 S9 C41 C44 -37.3(4) . . . . ? Ag8 S9 C41 C44 -151.4(3) . . . . ? Pd5 S9 C41 C45 -159.5(3) . . . . ? Ag4 S9 C41 C45 81.2(4) . . . . ? Ag8 S9 C41 C45 -33.0(4) . . . . ? Pd5 N9 C42 C41 -46.3(5) . . . . ? Pd5 N9 C42 C43 -165.1(4) . . . . ? C44 C41 C42 N9 -63.8(6) . . . . ? C45 C41 C42 N9 168.8(4) . . . . ? S9 C41 C42 N9 57.9(4) . . . . ? C44 C41 C42 C43 55.0(6) . . . . ? C45 C41 C42 C43 -72.4(6) . . . . ? S9 C41 C42 C43 176.7(4) . . . . ? La8 O17 C43 O18 105.4(8) 3_465 . . . ? La8 O17 C43 C42 -76.6(7) 3_465 . . . ? N9 C42 C43 O17 30.2(8) . . . . ? C41 C42 C43 O17 -86.1(8) . . . . ? N9 C42 C43 O18 -151.4(5) . . . . ? C41 C42 C43 O18 92.3(6) . . . . ? Pd5 S10 C46 C47 -35.0(3) . . . . ? Ag1 S10 C46 C47 92.9(3) . . . . ? Ag5 S10 C46 C47 -166.9(3) . . . . ? Pd5 S10 C46 C50 -151.3(3) . . . . ? Ag1 S10 C46 C50 -23.4(4) . . . . ? Ag5 S10 C46 C50 76.8(4) . . . . ? Pd5 S10 C46 C49 84.9(4) . . . . ? Ag1 S10 C46 C49 -147.3(3) . . . . ? Ag5 S10 C46 C49 -47.0(4) . . . . ? Pd5 N10 C47 C46 -48.4(5) . . . . ? Pd5 N10 C47 C48 -174.4(3) . . . . ? C50 C46 C47 N10 168.8(4) . . . . ? C49 C46 C47 N10 -61.5(6) . . . . ? S10 C46 C47 N10 54.9(5) . . . . ? C50 C46 C47 C48 -66.9(5) . . . . ? C49 C46 C47 C48 62.8(6) . . . . ? S10 C46 C47 C48 179.2(3) . . . . ? La1 O20 C48 O19 8.9(9) . . . . ? La1 O20 C48 C47 -171.3(3) . . . . ? N10 C47 C48 O19 18.9(6) . . . . ? C46 C47 C48 O19 -109.1(5) . . . . ? N10 C47 C48 O20 -160.9(4) . . . . ? C46 C47 C48 O20 71.1(6) . . . . ? Pd6 S11 C51 C55 -160.7(4) . . . . ? Ag5 S11 C51 C55 77.5(4) . . . . ? Ag8 S11 C51 C55 -37.4(4) . . . . ? Pd6 S11 C51 C52 -34.7(4) . . . . ? Ag5 S11 C51 C52 -156.5(3) . . . . ? Ag8 S11 C51 C52 88.6(4) . . . . ? Pd6 S11 C51 C54 81.6(4) . . . . ? Ag5 S11 C51 C54 -40.2(4) . . . . ? Ag8 S11 C51 C54 -155.1(3) . . . . ? Pd6 N11 C52 C53 -163.4(4) . . . . ? Pd6 N11 C52 C51 -38.1(6) . . . . ? C55 C51 C52 N11 165.5(5) . . . . ? C54 C51 C52 N11 -70.3(6) . . . . ? S11 C51 C52 N11 46.3(5) . . . . ? C55 C51 C52 C53 -68.4(7) . . . . ? C54 C51 C52 C53 55.8(6) . . . . ? S11 C51 C52 C53 172.5(4) . . . . ? N11 C52 C53 O21 23.3(7) . . . . ? C51 C52 C53 O21 -102.5(6) . . . . ? N11 C52 C53 O22 -156.3(4) . . . . ? C51 C52 C53 O22 77.9(6) . . . . ? Pd6 S12 C56 C59 81.9(4) . . . . ? Ag7 S12 C56 C59 -43.0(5) . . . . ? Ag6 S12 C56 C59 -151.0(4) . . . . ? Pd6 S12 C56 C57 -43.5(4) . . . . ? Ag7 S12 C56 C57 -168.5(3) . . . . ? Ag6 S12 C56 C57 83.5(4) . . . . ? Pd6 S12 C56 C60 -154.6(4) . . . . ? Ag7 S12 C56 C60 80.5(4) . . . . ? Ag6 S12 C56 C60 -27.5(4) . . . . ? C59 C56 C57 N12 -64.2(7) . . . . ? C60 C56 C57 N12 167.9(5) . . . . ? S12 C56 C57 N12 56.1(5) . . . . ? C59 C56 C57 C58 54.8(7) . . . . ? C60 C56 C57 C58 -73.1(6) . . . . ? S12 C56 C57 C58 175.1(3) . . . . ? Pd6 N12 C57 C56 -45.9(5) . . . . ? Pd6 N12 C57 C58 -166.2(4) . . . . ? La8 O23 C58 O24 35.0(19) . . . . ? La7 O23 C58 O24 -98.6(17) . . . . ? La8 O23 C58 C57 -125.1(11) . . . . ? La7 O23 C58 C57 101.3(15) . . . . ? C56 C57 C58 O24 84.4(7) . . . . ? N12 C57 C58 O24 -158.4(6) . . . . ? C56 C57 C58 O23 -111.8(6) . . . . ? N12 C57 C58 O23 5.4(8) . . . . ? O11 La1 O27 C61 68.4(4) 5_675 . . . ? O3 La1 O27 C61 144.0(4) 4_655 . . . ? O20 La1 O27 C61 -76.6(4) . . . . ? O29 La1 O27 C61 78.3(6) . . . . ? O32 La1 O27 C61 -122.2(4) . . . . ? O31 La1 O27 C61 -150.7(4) . . . . ? O30 La1 O27 C61 -10.8(4) . . . . ? O28 La1 O27 C61 -1.9(4) . . . . ? La1 O27 C61 O28 4.5(9) . . . . ? La1 O27 C61 C62 177.5(5) . . . . ? O11 La1 C61 O28 81.1(6) 5_675 . . . ? O3 La1 C61 O28 140.4(5) 4_655 . . . ? O20 La1 C61 O28 -80.4(6) . . . . ? O29 La1 C61 O28 42.5(7) . . . . ? O32 La1 C61 O28 -82.8(7) . . . . ? O31 La1 C61 O28 -148.1(6) . . . . ? O30 La1 C61 O28 -5.5(6) . . . . ? O27 La1 C61 O28 -175.6(9) . . . . ? O11 La1 C61 O27 -103.3(4) 5_675 . . . ? O3 La1 C61 O27 -44.0(5) 4_655 . . . ? O20 La1 C61 O27 95.1(4) . . . . ? O29 La1 C61 O27 -142.0(3) . . . . ? O32 La1 C61 O27 92.7(5) . . . . ? O31 La1 C61 O27 27.5(4) . . . . ? O30 La1 C61 O27 170.1(4) . . . . ? O28 La1 C61 O27 175.6(9) . . . . ? O11 La1 C61 C62 -110.3(16) 5_675 . . . ? O3 La1 C61 C62 -51.0(17) 4_655 . . . ? O20 La1 C61 C62 88.2(16) . . . . ? O29 La1 C61 C62 -149.0(15) . . . . ? O32 La1 C61 C62 85.8(17) . . . . ? O31 La1 C61 C62 20.5(16) . . . . ? O30 La1 C61 C62 163.1(16) . . . . ? O27 La1 C61 C62 -7.0(14) . . . . ? O28 La1 C61 C62 169(2) . . . . ? O27 C61 O28 La1 -4.4(9) . . . . ? C62 C61 O28 La1 -174.1(11) . . . . ? O11 La1 O28 C61 -91.2(6) 5_675 . . . ? O3 La1 O28 C61 -51.8(6) 4_655 . . . ? O20 La1 O28 C61 92.9(6) . . . . ? O29 La1 O28 C61 -147.6(6) . . . . ? O32 La1 O28 C61 119.6(6) . . . . ? O31 La1 O28 C61 34.8(6) . . . . ? O30 La1 O28 C61 173.9(6) . . . . ? O27 La1 O28 C61 2.9(6) . . . . ? C23 O9 La6 O50 122.3(7) . . . 3_565 ? C23 O9 La6 O44 -46.7(7) . . . 7_564 ? C23 O9 La6 O49 39.8(7) . . . 3_565 ? C18B O7B La3 La3 20.1(12) . . . 5_775 ? C58 O23 La7 La7 -162.5(14) . . . 6_556 ? La8 O23 La7 La7 46.0(4) . . . 6_556 ? C58 O23 La7 O44 -42.9(16) . . . . ? La8 O23 La7 O44 165.5(5) . . . . ? C58 O23 La8 La8 158(3) . . . 6_556 ? La7 O23 La8 La8 -41(3) . . . 6_556 ? C58 O23 La8 O17 26.2(14) . . . 3_565 ? La7 O23 La8 O17 -173.6(5) . . . 3_565 ? La7 La7 O44 La6 -115.9(4) 6_556 . . 8_645 ? O23 La7 O44 La6 104.9(3) . . . 8_645 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N1 H1A O35 0.92 2.05 2.924(7) 157.8 . N1 H1B O13 0.92 2.19 2.980(6) 143.5 5_665 N2 H2A O13 0.92 2.37 3.183(6) 147.0 5_665 N2 H2B O35 0.92 2.47 3.251(7) 142.4 . N3 H3A O46 0.92 2.18 3.026(16) 153.3 . N3 H3B O15 0.92 2.25 2.965(8) 134.5 7_564 N4 H4A O15 0.92 2.11 2.933(7) 148.2 7_564 N4 H4A O52 0.92 2.63 3.236(14) 124.3 7_564 N4 H4B O7A 0.92 2.14 2.716(9) 119.5 . N4 H4B O46 0.92 2.65 3.333(16) 131.5 . N5 H5A O22 0.92 2.36 3.105(6) 137.9 3_565 N5 H5B O37 0.92 2.38 3.245(7) 156.3 5_765 N6 H6A O30 0.92 2.27 2.990(5) 135.2 5_765 N6 H6A O28 0.92 2.37 3.133(6) 139.9 5_765 N6 H6B O33 0.92 2.16 3.050(5) 161.9 5_765 N7 H7A O5 0.92 1.89 2.660(6) 140.0 8_645 N7 H7B O1 0.92 2.31 3.161(7) 154.5 5_665 N8 H8A O42 0.92 2.50 3.260(11) 140.1 . N8 H8B O5 0.92 2.25 2.961(6) 133.8 8_645 N9 H9A O24 0.92 2.37 3.100(7) 136.4 3_465 N9 H9A O23 0.92 2.59 3.393(7) 145.6 3_465 N4 H4B O7A 0.92 2.14 2.716(9) 119.5 . N4 H4B O7A 0.92 2.14 2.716(9) 119.5 . _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 24.50 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 1.202 _refine_diff_density_min -0.681 _refine_diff_density_rms 0.139 _publ_section_references ; Wakita, K. (2001). Yadokari-XG. Software for Crystal Structure Analyses. \nRelease of Software (Yadokari-XG 2009) for Crystal Structure Analyses, \nKabuto, C., Akine, S., Nemoto, T. & Kwon, E. (2009). \nJ. Cryst. Soc. Jpn. 51, 218-224. ; _chemical_absolute_configuration rm #==END data_La2[5](CH3COO) _database_code_depnum_ccdc_archive 'CCDC 825635' #TrackingRef '- konno.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C62 H162 Ag8 Cl La2 N12 O51.50 Pt6 S12' _chemical_formula_weight 4631.53 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ag Ag -0.8971 1.1015 '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' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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' _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'P 41 21 2' _symmetry_space_group_name_Hall 'P 4abw 2nw' _symmetry_Int_Tables_number 92 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' 'x+1/2, -y+1/2, -z+3/4' '-x+1/2, y+1/2, -z+1/4' '-y, -x, -z+1/2' 'y, x, -z' 'y+1/2, -x+1/2, z+3/4' '-y+1/2, x+1/2, z+1/4' _cell_length_a 24.6050(11) _cell_length_b 24.6050(11) _cell_length_c 46.814(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 28341(2) _cell_formula_units_Z 8 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 148366 _cell_measurement_theta_min 3.0 _cell_measurement_theta_max 27.7 _exptl_crystal_description stick _exptl_crystal_colour colorless _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.03 _exptl_crystal_size_min 0.03 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.171 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 17576 _exptl_absorpt_coefficient_mu 7.832 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; Higashi, T. (1995). Program for Absorption Correction. Rigaku Corporation, Tokyo, Japan. ; _exptl_absorpt_correction_T_min 0.231 _exptl_absorpt_correction_T_max 0.791 _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_radiation_source ? _diffrn_radiation_monochromator ? _diffrn_measurement_device_type 'Rigaku RAXIS-RAPID' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 10.00 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 344913 _diffrn_reflns_av_R_equivalents 0.2334 _diffrn_reflns_av_sigmaI/netI 0.0936 _diffrn_reflns_limit_h_min -28 _diffrn_reflns_limit_h_max 28 _diffrn_reflns_limit_k_min -28 _diffrn_reflns_limit_k_max 28 _diffrn_reflns_limit_l_min -54 _diffrn_reflns_limit_l_max 54 _diffrn_reflns_theta_min 3.02 _diffrn_reflns_theta_max 24.50 _reflns_number_total 23542 _reflns_number_gt 14593 _reflns_threshold_expression >2sigma(I) _computing_data_collection PROCESS-AUTO _computing_cell_refinement PROCESS-AUTO _computing_data_reduction CrystalStructure _computing_structure_solution SHELXS97 _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)' _computing_publication_material ;Yadokari-XG 2009 (Wakita,Nemoto et al., 2009) ; _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^)+(0.1014P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.020(7) _refine_ls_number_reflns 23542 _refine_ls_number_parameters 1314 _refine_ls_number_restraints 57 _refine_ls_R_factor_all 0.1142 _refine_ls_R_factor_gt 0.0671 _refine_ls_wR_factor_ref 0.1828 _refine_ls_wR_factor_gt 0.1592 _refine_ls_goodness_of_fit_ref 0.978 _refine_ls_restrained_S_all 0.977 _refine_ls_shift/su_max 0.019 _refine_ls_shift/su_mean 0.001 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 Pt1 Pt 0.756101(11) 0.500051(11) 0.205252(5) 0.06323(8) Uani 1 1 d . . . Pt2 Pt 0.835123(13) 0.775420(13) 0.232813(7) 0.08571(11) Uani 1 1 d . . . Pt3 Pt 0.953332(11) 0.567550(11) 0.313557(5) 0.06411(8) Uani 1 1 d . . . Pt4 Pt 0.684176(11) 0.477546(10) 0.348080(5) 0.06113(8) Uani 1 1 d . . . Pt5 Pt 0.571828(11) 0.686109(11) 0.269609(5) 0.06159(8) Uani 1 1 d . . . Pt6 Pt 0.761553(11) 0.746670(12) 0.376137(6) 0.07128(9) Uani 1 1 d . . . Ag1 Ag 0.71640(2) 0.65944(2) 0.229895(11) 0.07727(18) Uani 1 1 d . . . Ag2 Ag 0.84916(2) 0.61054(2) 0.251175(11) 0.07490(18) Uani 1 1 d . . . Ag3 Ag 0.81057(2) 0.49992(3) 0.288925(11) 0.0819(2) Uani 1 1 d . . . Ag4 Ag 0.67300(2) 0.55956(2) 0.274221(10) 0.06708(16) Uani 1 1 d . . . Ag5 Ag 0.72873(2) 0.73625(2) 0.292579(11) 0.07727(18) Uani 1 1 d . . . Ag6 Ag 0.87396(3) 0.71170(3) 0.312686(15) 0.1297(3) Uani 1 1 d . . . Ag7 Ag 0.79838(2) 0.59389(2) 0.345833(11) 0.07955(19) Uani 1 1 d . . . Ag8 Ag 0.64760(3) 0.64045(2) 0.345801(13) 0.0870(2) Uani 1 1 d . . . Cl1 Cl 0.76239(6) 0.62507(6) 0.29084(3) 0.0630(5) Uani 1 1 d . . . La1 La 0.581079(18) 0.881705(17) 0.137208(9) 0.07124(14) Uani 1 1 d . . . S1 S 0.69619(7) 0.56270(7) 0.22104(3) 0.0702(6) Uani 1 1 d . . . S2 S 0.82466(7) 0.51556(7) 0.23659(3) 0.0710(6) Uani 1 1 d . . . S3 S 0.81193(8) 0.69026(8) 0.22288(3) 0.0753(6) Uani 1 1 d . . . S4 S 0.81985(8) 0.77253(7) 0.28075(4) 0.0838(7) Uani 1 1 d . . . S5 S 0.92083(8) 0.63689(8) 0.28686(4) 0.0769(6) Uani 1 1 d . . . S6 S 0.87316(7) 0.53198(7) 0.32720(4) 0.0692(6) Uani 1 1 d . . . S7 S 0.71379(7) 0.48100(7) 0.30235(3) 0.0629(5) Uani 1 1 d . . . S8 S 0.70594(7) 0.56216(7) 0.36159(3) 0.0667(5) Uani 1 1 d . . . S9 S 0.60252(7) 0.61925(7) 0.29842(4) 0.0634(5) Uani 1 1 d . . . S10 S 0.65356(7) 0.71900(7) 0.25616(3) 0.0651(5) Uani 1 1 d . . . S11 S 0.69523(7) 0.73073(7) 0.34347(3) 0.0639(5) Uani 1 1 d . . . S12 S 0.82565(7) 0.69005(8) 0.35924(4) 0.0831(6) Uani 1 1 d . . . O1 O 0.6074(2) 0.4626(2) 0.14703(10) 0.0974(18) Uani 1 1 d . . . O2 O 0.5885(2) 0.5413(2) 0.13565(11) 0.115(2) Uani 1 1 d . . . O3 O 0.88273(19) 0.3949(2) 0.16129(9) 0.0910(17) Uani 1 1 d . . . O4 O 0.9354(3) 0.3745(3) 0.20101(15) 0.205(3) Uani 1 1 d . . . O5 O 0.8691(2) 0.7735(3) 0.13581(12) 0.144(2) Uani 1 1 d . . . O6 O 0.7984(2) 0.7290(3) 0.12416(11) 0.137(2) Uani 1 1 d D . . O7 O 0.8591(3) 0.9546(2) 0.25234(14) 0.2070(16) Uani 1 1 d DU . . O8 O 0.9018(2) 0.9502(2) 0.29286(11) 0.2076(16) Uani 1 1 d DU . . O9 O 1.11425(19) 0.6274(2) 0.27257(14) 0.1614(15) Uani 1 1 d DU . . O10 O 1.1011(3) 0.7109(2) 0.27893(18) 0.201(3) Uani 1 1 d DU . . O11 O 1.01966(18) 0.42556(18) 0.37013(9) 0.0791(16) Uani 1 1 d . . . O12 O 0.95466(19) 0.36882(19) 0.35646(10) 0.0854(17) Uani 1 1 d . . . O13 O 0.63239(16) 0.30152(18) 0.31695(11) 0.0888(17) Uani 1 1 d . . . O14 O 0.7100(2) 0.28915(18) 0.29483(10) 0.0881(17) Uani 1 1 d . . . O15 O 0.6717(3) 0.4522(3) 0.44519(11) 0.145(3) Uani 1 1 d . . . O16 O 0.6361(3) 0.5322(2) 0.45652(11) 0.137(3) Uani 1 1 d . . . O17 O 0.4091(2) 0.5914(3) 0.29314(13) 0.131(3) Uani 1 1 d . . . O18 O 0.4250(3) 0.5921(2) 0.34000(13) 0.162(3) Uani 1 1 d . . . O19 O 0.5130(2) 0.83004(19) 0.20807(8) 0.0869(17) Uani 1 1 d . . . O20 O 0.58127(17) 0.81431(19) 0.17742(8) 0.0797(15) Uani 1 1 d . . . O21 O 0.6459(2) 0.89041(18) 0.39690(12) 0.104(2) Uani 1 1 d . . . O22 O 0.5662(2) 0.8436(2) 0.39354(12) 0.113(2) Uani 1 1 d D . . O23 O 0.8938(2) 0.7662(3) 0.44728(14) 0.1495(15) Uani 1 1 d U . . O24 O 0.9623(2) 0.7557(2) 0.42195(14) 0.1440(14) Uani 1 1 d U . . N1 N 0.7008(3) 0.4896(2) 0.17287(9) 0.092(2) Uani 1 1 d . . . H1 H 0.7202 0.4861 0.1562 0.110 Uiso 1 1 calc R . . H1A H 0.6837 0.4569 0.1760 0.110 Uiso 1 1 calc R . . N2 N 0.8039(2) 0.4399(2) 0.18947(10) 0.0689(17) Uani 1 1 d . . . H2 H 0.7831 0.4089 0.1877 0.083 Uiso 1 1 calc R . . H2A H 0.8151 0.4497 0.1714 0.083 Uiso 1 1 calc R . . N3 N 0.8423(3) 0.7882(2) 0.18983(12) 0.092(2) Uani 1 1 d . . . H3 H 0.8293 0.8221 0.1852 0.111 Uiso 1 1 calc R . . H3A H 0.8783 0.7866 0.1846 0.111 Uiso 1 1 calc R . . N4 N 0.8686(3) 0.8470(2) 0.24114(10) 0.119(3) Uani 1 1 d D A . H4 H 0.9030 0.8468 0.2334 0.142 Uiso 1 1 calc R . . H4A H 0.8490 0.8729 0.2314 0.142 Uiso 1 1 calc R . . N5 N 1.0268(2) 0.5993(2) 0.30299(10) 0.0810(19) Uani 1 1 d . . . H5 H 1.0486 0.5989 0.3190 0.097 Uiso 1 1 calc R . . H5A H 1.0427 0.5771 0.2896 0.097 Uiso 1 1 calc R . . N6 N 0.9872(2) 0.5041(2) 0.33571(10) 0.082(2) Uani 1 1 d . . . H6 H 1.0176 0.4921 0.3262 0.098 Uiso 1 1 calc R . . H6A H 0.9978 0.5160 0.3535 0.098 Uiso 1 1 calc R . . N7 N 0.6681(2) 0.3971(2) 0.33956(10) 0.0793(19) Uani 1 1 d . . . H7 H 0.6774 0.3769 0.3553 0.095 Uiso 1 1 calc R . . H7A H 0.6313 0.3932 0.3368 0.095 Uiso 1 1 calc R . . N8 N 0.6564(2) 0.4676(2) 0.38825(10) 0.089(2) Uani 1 1 d . . . H8 H 0.6207 0.4566 0.3874 0.107 Uiso 1 1 calc R . . H8A H 0.6759 0.4402 0.3968 0.107 Uiso 1 1 calc R . . N9 N 0.4959(2) 0.6627(2) 0.28201(9) 0.0701(17) Uani 1 1 d . . . H9 H 0.4754 0.6932 0.2855 0.084 Uiso 1 1 calc R . . H9A H 0.4797 0.6441 0.2672 0.084 Uiso 1 1 calc R . . N10 N 0.5421(2) 0.7407(2) 0.24076(12) 0.082(2) Uani 1 1 d . . . H10 H 0.5135 0.7247 0.2313 0.098 Uiso 1 1 calc R . . H10A H 0.5284 0.7699 0.2507 0.098 Uiso 1 1 calc R . . N11 N 0.70704(17) 0.7972(2) 0.39374(10) 0.078(2) Uani 1 1 d . . . H11 H 0.7075 0.7912 0.4131 0.094 Uiso 1 1 calc R . . H11A H 0.7193 0.8321 0.3909 0.094 Uiso 1 1 calc R . . N12 N 0.8193(2) 0.7639(3) 0.40481(15) 0.132(3) Uani 1 1 d . . . H12 H 0.8171 0.8005 0.4087 0.158 Uiso 1 1 calc R . . H12A H 0.8106 0.7458 0.4214 0.158 Uiso 1 1 calc R . . C1 C 0.6368(3) 0.5450(3) 0.19875(13) 0.070(2) Uani 1 1 d . . . C2 C 0.6591(3) 0.5297(3) 0.16791(12) 0.074(2) Uani 1 1 d . . . H2B H 0.6745 0.5624 0.1582 0.089 Uiso 1 1 calc R . . C3 C 0.6144(3) 0.5049(3) 0.15028(16) 0.090(3) Uani 1 1 d . . . C4 C 0.6012(3) 0.5053(3) 0.21132(15) 0.094(3) Uani 1 1 d . . . H4B H 0.5891 0.5182 0.2301 0.141 Uiso 1 1 calc R . . H4C H 0.6206 0.4708 0.2135 0.141 Uiso 1 1 calc R . . H4D H 0.5695 0.5000 0.1989 0.141 Uiso 1 1 calc R . . C5 C 0.6049(3) 0.6042(3) 0.1943(2) 0.145(4) Uani 1 1 d . . . H5B H 0.6299 0.6306 0.1857 0.218 Uiso 1 1 calc R . . H5C H 0.5925 0.6179 0.2128 0.218 Uiso 1 1 calc R . . H5D H 0.5735 0.5991 0.1817 0.218 Uiso 1 1 calc R . . C6 C 0.8801(3) 0.4790(2) 0.21882(13) 0.068(2) Uani 1 1 d . . . C7 C 0.8536(3) 0.4263(3) 0.20710(15) 0.098(3) Uani 1 1 d . . . H7B H 0.8443 0.4008 0.2230 0.117 Uiso 1 1 calc R . . C8 C 0.8893(3) 0.3987(3) 0.18502(17) 0.123(3) Uani 1 1 d . . . C9 C 0.9028(3) 0.5152(3) 0.19530(13) 0.087(3) Uani 1 1 d . . . H9B H 0.8751 0.5205 0.1805 0.130 Uiso 1 1 calc R . . H9C H 0.9349 0.4980 0.1869 0.130 Uiso 1 1 calc R . . H9D H 0.9130 0.5505 0.2034 0.130 Uiso 1 1 calc R . . C10 C 0.9206(3) 0.4676(3) 0.24259(14) 0.103(3) Uani 1 1 d . . . H10B H 0.9037 0.4441 0.2570 0.155 Uiso 1 1 calc R . . H10C H 0.9316 0.5019 0.2515 0.155 Uiso 1 1 calc R . . H10D H 0.9526 0.4494 0.2346 0.155 Uiso 1 1 calc R . . C11 C 0.8292(3) 0.6883(3) 0.18430(14) 0.087(3) Uani 1 1 d . . . C12 C 0.8109(4) 0.7459(3) 0.17442(14) 0.113(3) Uani 1 1 d . . . H12B H 0.7708 0.7513 0.1762 0.136 Uiso 1 1 calc R . . C13 C 0.8320(4) 0.7498(4) 0.14081(16) 0.110(3) Uani 1 1 d . . . C14 C 0.8921(3) 0.6748(3) 0.18313(13) 0.079(2) Uani 1 1 d . . . H14 H 0.8980 0.6371 0.1891 0.119 Uiso 1 1 calc R . . H14A H 0.9118 0.6993 0.1960 0.119 Uiso 1 1 calc R . . H14B H 0.9054 0.6797 0.1636 0.119 Uiso 1 1 calc R . . C15 C 0.7976(3) 0.6399(3) 0.17121(12) 0.094(3) Uani 1 1 d . . . H15 H 0.8123 0.6057 0.1787 0.141 Uiso 1 1 calc R . . H15A H 0.8015 0.6405 0.1504 0.141 Uiso 1 1 calc R . . H15B H 0.7591 0.6429 0.1763 0.141 Uiso 1 1 calc R . . C16 C 0.8271(2) 0.8439(3) 0.28692(18) 0.135(4) Uani 1 1 d D A . C17 C 0.8737(3) 0.8652(2) 0.27068(12) 0.1946(17) Uani 1 1 d DU . . H17 H 0.9070 0.8477 0.2787 0.234 Uiso 1 1 calc R A . C18 C 0.8839(3) 0.9279(2) 0.27090(12) 0.2024(11) Uani 1 1 d DU A . C19 C 0.7766(4) 0.8740(3) 0.2779(2) 0.147(4) Uani 1 1 d . . . H19 H 0.7456 0.8612 0.2893 0.221 Uiso 1 1 calc R A . H19A H 0.7695 0.8672 0.2576 0.221 Uiso 1 1 calc R . . H19B H 0.7817 0.9130 0.2810 0.221 Uiso 1 1 calc R . . C20 C 0.8372(4) 0.8517(4) 0.3227(2) 0.141(4) Uani 1 1 d . . . H20 H 0.8052 0.8387 0.3330 0.212 Uiso 1 1 calc R A . H20A H 0.8432 0.8902 0.3270 0.212 Uiso 1 1 calc R . . H20B H 0.8691 0.8306 0.3285 0.212 Uiso 1 1 calc R . . C21 C 0.9821(3) 0.6566(3) 0.26893(15) 0.084(3) Uani 1 1 d . . . C22 C 1.0254(3) 0.6521(4) 0.2923(2) 0.1497(16) Uani 1 1 d U . . H22 H 1.0163 0.6778 0.3081 0.180 Uiso 1 1 calc R . . C23 C 1.0842(3) 0.6641(2) 0.2816(2) 0.1587(12) Uani 1 1 d DU . . C24 C 0.9952(3) 0.6198(3) 0.24503(15) 0.097(3) Uani 1 1 d . . . H24 H 0.9663 0.6218 0.2307 0.145 Uiso 1 1 calc R . . H24A H 0.9982 0.5825 0.2522 0.145 Uiso 1 1 calc R . . H24B H 1.0298 0.6308 0.2364 0.145 Uiso 1 1 calc R . . C25 C 0.9703(4) 0.7169(3) 0.25754(16) 0.110(3) Uani 1 1 d . . . H25 H 0.9613 0.7406 0.2737 0.165 Uiso 1 1 calc R . . H25A H 0.9396 0.7161 0.2442 0.165 Uiso 1 1 calc R . . H25B H 1.0026 0.7310 0.2478 0.165 Uiso 1 1 calc R . . C26 C 0.8930(3) 0.4763(3) 0.35129(12) 0.076(2) Uani 1 1 d . . . C27 C 0.9477(2) 0.4574(3) 0.33909(13) 0.062(2) Uani 1 1 d . . . H27 H 0.9411 0.4412 0.3198 0.075 Uiso 1 1 calc R . . C28 C 0.9773(3) 0.4151(3) 0.35751(12) 0.078(2) Uani 1 1 d . . . C29 C 0.9019(3) 0.4981(3) 0.38181(12) 0.078(2) Uani 1 1 d . . . H29 H 0.9297 0.5266 0.3815 0.116 Uiso 1 1 calc R . . H29A H 0.9140 0.4684 0.3942 0.116 Uiso 1 1 calc R . . H29B H 0.8678 0.5131 0.3891 0.116 Uiso 1 1 calc R . . C30 C 0.8503(3) 0.4339(3) 0.34984(14) 0.078(2) Uani 1 1 d . . . H30 H 0.8165 0.4482 0.3580 0.117 Uiso 1 1 calc R . . H30A H 0.8619 0.4020 0.3607 0.117 Uiso 1 1 calc R . . H30B H 0.8442 0.4236 0.3299 0.117 Uiso 1 1 calc R . . C31 C 0.6872(2) 0.4150(3) 0.28880(14) 0.069(2) Uani 1 1 d . . . C32 C 0.6964(3) 0.3751(2) 0.31480(13) 0.070(2) Uani 1 1 d . . . H32 H 0.7361 0.3733 0.3191 0.084 Uiso 1 1 calc R . . C33 C 0.6750(3) 0.3161(2) 0.30861(13) 0.071(2) Uani 1 1 d . . . C34 C 0.6314(3) 0.4213(3) 0.28245(14) 0.083(3) Uani 1 1 d . . . H34 H 0.6117 0.4312 0.2999 0.125 Uiso 1 1 calc R . . H34A H 0.6169 0.3870 0.2749 0.125 Uiso 1 1 calc R . . H34B H 0.6268 0.4500 0.2681 0.125 Uiso 1 1 calc R . . C35 C 0.7221(3) 0.3992(3) 0.26359(12) 0.082(2) Uani 1 1 d . . . H35 H 0.7601 0.3962 0.2697 0.123 Uiso 1 1 calc R . . H35A H 0.7191 0.4271 0.2487 0.123 Uiso 1 1 calc R . . H35B H 0.7098 0.3642 0.2560 0.123 Uiso 1 1 calc R . . C36 C 0.7066(3) 0.5544(3) 0.40084(12) 0.069(2) Uani 1 1 d . . . C37 C 0.6598(4) 0.5196(3) 0.40759(13) 0.097(3) Uani 1 1 d . . . H37 H 0.6268 0.5417 0.4029 0.116 Uiso 1 1 calc R . . C38 C 0.6519(4) 0.5006(3) 0.43882(13) 0.111(3) Uani 1 1 d . . . C39 C 0.7536(3) 0.5273(3) 0.41040(13) 0.103(3) Uani 1 1 d . . . H39 H 0.7549 0.4908 0.4020 0.155 Uiso 1 1 calc R . . H39A H 0.7527 0.5243 0.4313 0.155 Uiso 1 1 calc R . . H39B H 0.7859 0.5478 0.4046 0.155 Uiso 1 1 calc R . . C40 C 0.6983(4) 0.6076(3) 0.41300(15) 0.111(3) Uani 1 1 d . . . H40 H 0.6638 0.6226 0.4060 0.166 Uiso 1 1 calc R . . H40A H 0.7282 0.6316 0.4073 0.166 Uiso 1 1 calc R . . H40B H 0.6971 0.6048 0.4339 0.166 Uiso 1 1 calc R . . C41 C 0.5376(3) 0.5833(3) 0.30563(12) 0.072(2) Uani 1 1 d . . . C42 C 0.4955(3) 0.6265(2) 0.30884(14) 0.070(2) Uani 1 1 d . . . H42 H 0.5042 0.6492 0.3260 0.083 Uiso 1 1 calc R . . C43 C 0.4368(3) 0.6015(3) 0.31238(19) 0.096(3) Uani 1 1 d . . . C44 C 0.5270(2) 0.5463(2) 0.27740(12) 0.066(2) Uani 1 1 d . . . H44 H 0.5552 0.5184 0.2760 0.099 Uiso 1 1 calc R . . H44A H 0.5280 0.5694 0.2603 0.099 Uiso 1 1 calc R . . H44B H 0.4913 0.5289 0.2788 0.099 Uiso 1 1 calc R . . C45 C 0.5407(3) 0.5441(3) 0.33159(12) 0.086(3) Uani 1 1 d . . . H45 H 0.5691 0.5169 0.3282 0.129 Uiso 1 1 calc R . . H45A H 0.5057 0.5258 0.3341 0.129 Uiso 1 1 calc R . . H45B H 0.5494 0.5648 0.3489 0.129 Uiso 1 1 calc R . . C46 C 0.6337(2) 0.7778(3) 0.23210(13) 0.061(2) Uani 1 1 d . . . C47 C 0.5814(2) 0.7616(3) 0.21901(12) 0.068(2) Uani 1 1 d . . . H47 H 0.5900 0.7299 0.2064 0.082 Uiso 1 1 calc R . . C48 C 0.5599(4) 0.8058(2) 0.19923(12) 0.095(3) Uani 1 1 d . . . C49 C 0.6237(3) 0.8271(3) 0.25177(15) 0.085(3) Uani 1 1 d . . . H49 H 0.6582 0.8386 0.2603 0.127 Uiso 1 1 calc R . . H49A H 0.5981 0.8170 0.2669 0.127 Uiso 1 1 calc R . . H49B H 0.6085 0.8571 0.2406 0.127 Uiso 1 1 calc R . . C50 C 0.6802(3) 0.7864(3) 0.21261(13) 0.096(3) Uani 1 1 d . . . H50 H 0.7119 0.7982 0.2237 0.144 Uiso 1 1 calc R . . H50A H 0.6709 0.8143 0.1985 0.144 Uiso 1 1 calc R . . H50B H 0.6887 0.7523 0.2027 0.144 Uiso 1 1 calc R . . C51 C 0.6487(3) 0.7876(2) 0.35231(11) 0.064(2) Uani 1 1 d . . . C52 C 0.6507(3) 0.7955(3) 0.38460(13) 0.079(2) Uani 1 1 d . . . H52 H 0.6320 0.7643 0.3941 0.095 Uiso 1 1 calc R . . C53 C 0.6216(3) 0.8491(3) 0.39297(13) 0.082(2) Uani 1 1 d . . . C54 C 0.6659(3) 0.8370(2) 0.33644(14) 0.084(2) Uani 1 1 d . . . H54 H 0.6635 0.8302 0.3159 0.126 Uiso 1 1 calc R . . H54A H 0.7035 0.8460 0.3415 0.126 Uiso 1 1 calc R . . H54B H 0.6421 0.8675 0.3415 0.126 Uiso 1 1 calc R . . C55 C 0.5928(3) 0.7696(3) 0.3411(2) 0.156(4) Uani 1 1 d . . . H55 H 0.5943 0.7658 0.3203 0.234 Uiso 1 1 calc R . . H55A H 0.5654 0.7969 0.3462 0.234 Uiso 1 1 calc R . . H55B H 0.5830 0.7346 0.3497 0.234 Uiso 1 1 calc R . . C56 C 0.8719(3) 0.6896(3) 0.38909(14) 0.079(2) Uani 1 1 d . . . C57 C 0.8781(2) 0.7514(3) 0.39818(14) 0.1384(16) Uani 1 1 d DU . . H57 H 0.8897 0.7732 0.3812 0.166 Uiso 1 1 calc R . . C58 C 0.9209(3) 0.7582(4) 0.42253(14) 0.1447(10) Uani 1 1 d DU . . C59 C 0.8564(4) 0.6518(4) 0.41167(14) 0.112(3) Uani 1 1 d . . . H59 H 0.8543 0.6149 0.4038 0.168 Uiso 1 1 calc R . . H59A H 0.8209 0.6621 0.4194 0.168 Uiso 1 1 calc R . . H59B H 0.8836 0.6528 0.4270 0.168 Uiso 1 1 calc R . . C60 C 0.9306(3) 0.6743(4) 0.37842(17) 0.150(4) Uani 1 1 d . . . H60 H 0.9418 0.6996 0.3634 0.225 Uiso 1 1 calc R . . H60A H 0.9305 0.6372 0.3709 0.225 Uiso 1 1 calc R . . H60B H 0.9562 0.6766 0.3944 0.225 Uiso 1 1 calc R . . O25 O 0.9500(3) 0.7832(4) 0.32536(17) 0.134(5) Uani 1 1 d D . . O26 O 0.5752(3) 0.6524(3) 0.38555(13) 0.156(3) Uani 1 1 d D . . O27 O 0.5870(3) 0.9359(2) 0.18712(11) 0.1246(14) Uani 1 1 d U . . O28 O 0.6629(3) 0.9160(3) 0.16991(13) 0.1442(15) Uani 1 1 d U . . C61 C 0.6325(4) 0.9395(4) 0.1905(2) 0.1359(12) Uani 1 1 d U . . C62 C 0.6493(5) 0.9654(5) 0.2150(2) 0.171(3) Uani 1 1 d U . . H62 H 0.6891 0.9662 0.2156 0.256 Uiso 1 1 calc R . . H62A H 0.6355 0.9458 0.2317 0.256 Uiso 1 1 calc R . . H62B H 0.6352 1.0027 0.2151 0.256 Uiso 1 1 calc R . . O29 O 0.50290(19) 0.8894(2) 0.10242(9) 0.0891(17) Uani 1 1 d . . . O30 O 0.48802(17) 0.89157(16) 0.16344(8) 0.0680(14) Uani 1 1 d . . . O31 O 0.6609(3) 0.8207(2) 0.13105(14) 0.163(3) Uani 1 1 d . . . O32 O 0.5556(3) 0.7894(3) 0.12033(13) 0.165(3) Uani 1 1 d . . . La2 La 0.93445(15) 1.02731(15) 0.29350(8) 0.2303(14) Uiso 0.33 1 d P A 1 O33 O 0.5257(2) 0.9309(2) 0.36186(11) 0.0965(15) Uiso 1 1 d . . . O34 O 0.7846(3) 0.4876(3) 0.12777(13) 0.129(2) Uiso 1 1 d . . . O35 O 0.7573(3) 0.8772(3) 0.12143(16) 0.164(3) Uiso 1 1 d . . . O36 O 0.5053(3) 0.9328(3) 0.23438(13) 0.130(2) Uiso 1 1 d . . . La3 La 0.8338(3) 0.7684(3) 0.49624(14) 0.164(2) Uiso 0.13 1 d P . . La4 La 0.8637(4) 1.0606(4) 0.2388(2) 0.294(4) Uiso 0.17 1 d P A 2 La5 La 0.9931(3) 0.6818(3) 0.46268(16) 0.185(3) Uiso 0.13 1 d P . . La6 La 1.2148(4) 0.6436(4) 0.25494(18) 0.206(3) Uiso 0.13 1 d P . 1 O37 O 0.4991(4) 0.6096(4) 0.13279(19) 0.202(3) Uiso 1 1 d . . . O38 O 0.5281(4) 0.4688(4) 0.0984(2) 0.206(4) Uiso 1 1 d . . . O39 O 0.8083(2) 0.2857(4) 0.3236(2) 0.253(5) Uiso 1 1 d D . . La7 La 1.1873(5) 0.7233(4) 0.2232(2) 0.247(4) Uiso 0.13 1 d P . 2 O40 O 0.8132(5) 0.8854(5) 0.4097(2) 0.278(5) Uiso 1 1 d . . . O41 O 0.6872(3) 0.7146(2) 0.14226(15) 0.191(3) Uiso 1 1 d D . . O42 O 0.5249(3) 0.7045(4) 0.15892(13) 0.214(4) Uiso 1 1 d D . . O43 O 0.4707(3) 0.6742(4) 0.20234(13) 0.214(4) Uiso 1 1 d D . . O44 O 1.0367(4) 0.5719(4) 0.4563(2) 0.237(4) Uiso 1 1 d . . . O45 O 0.9067(2) 0.3114(5) 0.3147(2) 0.279(6) Uiso 1 1 d D . . O46 O 0.7132(6) 0.7878(6) 0.4538(3) 0.336(7) Uiso 1 1 d . . . O47 O 0.5234(3) 0.7439(6) 0.38896(19) 0.394(9) Uiso 1 1 d D . . O48 O 0.6193(6) 0.7418(6) 0.0693(3) 0.330(7) Uiso 1 1 d . . . O49 O 0.6428(4) 0.6344(3) 0.1175(2) 0.337(7) Uiso 1 1 d D . . O50 O 0.7818(6) 0.8980(6) 0.1882(3) 0.305(6) Uiso 1 1 d . . . O51 O 0.8486(4) 1.0041(4) 0.32994(16) 0.130(4) Uiso 0.50 1 d PD . . O52 O 1.1343(7) 0.8112(7) 0.2308(3) 0.189(7) Uiso 0.50 1 d P . . O53 O 0.9594(3) 1.0406(3) 0.2500 0.185(5) Uiso 1 2 d S . . 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 Pt1 0.06756(15) 0.06601(15) 0.05610(12) -0.00478(12) 0.00092(12) 0.00272(13) Pt2 0.0896(2) 0.07207(18) 0.09547(19) 0.01487(16) 0.01407(17) -0.00369(16) Pt3 0.05857(14) 0.06706(15) 0.06669(14) -0.00330(13) -0.00368(12) -0.00034(13) Pt4 0.06313(15) 0.05890(14) 0.06136(13) 0.00257(12) -0.00311(12) 0.00263(13) Pt5 0.06040(14) 0.06159(14) 0.06279(13) 0.00370(12) 0.00388(12) 0.00878(13) Pt6 0.06599(16) 0.07187(16) 0.07599(15) -0.01980(13) -0.01019(13) 0.00941(14) Ag1 0.0817(3) 0.0702(3) 0.0800(3) 0.0017(3) 0.0136(3) 0.0070(3) Ag2 0.0780(3) 0.0762(3) 0.0705(3) -0.0026(3) 0.0039(3) 0.0042(3) Ag3 0.0735(3) 0.1055(4) 0.0666(3) 0.0005(3) -0.0070(3) -0.0072(3) Ag4 0.0707(3) 0.0647(3) 0.0658(3) -0.0004(2) 0.0021(2) 0.0025(3) Ag5 0.0832(3) 0.0748(3) 0.0739(3) -0.0028(3) 0.0021(3) 0.0055(3) Ag6 0.1376(5) 0.1527(6) 0.0988(4) -0.0043(4) 0.0067(4) 0.0660(5) Ag7 0.0772(3) 0.0908(4) 0.0706(3) -0.0056(3) -0.0004(3) 0.0013(3) Ag8 0.0930(4) 0.0690(3) 0.0989(4) -0.0041(3) -0.0198(3) 0.0018(3) Cl1 0.0606(9) 0.0662(9) 0.0620(8) -0.0020(7) -0.0006(7) 0.0013(8) La1 0.0742(3) 0.0651(2) 0.0744(2) 0.0037(2) 0.0031(2) 0.0028(2) S1 0.0714(10) 0.0827(11) 0.0564(8) -0.0018(8) -0.0059(8) 0.0034(9) S2 0.0690(10) 0.0792(11) 0.0646(9) -0.0062(9) -0.0036(8) 0.0082(9) S3 0.0824(11) 0.0787(11) 0.0647(9) 0.0088(9) 0.0169(9) 0.0092(10) S4 0.0898(13) 0.0580(10) 0.1036(13) -0.0003(10) 0.0120(11) -0.0020(10) S5 0.0761(11) 0.0785(11) 0.0761(11) -0.0076(9) 0.0035(9) 0.0064(10) S6 0.0607(10) 0.0818(11) 0.0651(9) 0.0020(9) -0.0058(8) 0.0152(9) S7 0.0670(10) 0.0556(9) 0.0660(9) -0.0016(8) -0.0021(8) -0.0005(8) S8 0.0796(11) 0.0689(10) 0.0517(8) -0.0055(8) 0.0005(8) 0.0133(9) S9 0.0603(9) 0.0576(9) 0.0722(9) -0.0006(8) 0.0092(8) 0.0019(8) S10 0.0643(10) 0.0633(10) 0.0678(9) 0.0085(8) 0.0032(8) 0.0138(8) S11 0.0694(10) 0.0585(9) 0.0636(9) -0.0104(8) 0.0011(8) 0.0112(8) S12 0.0684(11) 0.0865(12) 0.0945(12) -0.0202(10) -0.0156(9) 0.0112(10) O1 0.095(3) 0.105(4) 0.092(3) -0.027(3) -0.040(3) 0.004(3) O2 0.115(4) 0.126(4) 0.104(3) 0.007(3) -0.041(3) 0.025(3) O3 0.084(3) 0.101(3) 0.088(3) -0.036(3) 0.004(3) -0.021(3) O4 0.167(5) 0.285(6) 0.164(5) -0.083(5) -0.002(4) 0.156(4) O5 0.101(4) 0.200(5) 0.130(4) 0.094(3) 0.013(3) -0.048(4) O6 0.099(4) 0.200(5) 0.113(4) 0.082(3) 0.007(3) -0.017(4) O7 0.156(3) 0.108(3) 0.357(3) -0.063(3) 0.033(3) -0.017(3) O8 0.152(3) 0.110(3) 0.362(3) -0.066(3) 0.030(3) -0.029(3) O9 0.080(2) 0.213(3) 0.191(3) 0.045(3) 0.012(2) -0.078(2) O10 0.140(4) 0.233(5) 0.230(5) 0.039(4) 0.030(4) -0.094(4) O11 0.084(3) 0.083(3) 0.070(3) -0.011(2) -0.010(2) 0.019(3) O12 0.080(3) 0.089(3) 0.088(3) 0.013(3) -0.015(3) -0.015(3) O13 0.048(2) 0.081(3) 0.137(4) -0.008(3) -0.028(2) -0.039(2) O14 0.107(4) 0.060(3) 0.097(3) -0.019(2) -0.020(3) 0.004(3) O15 0.191(6) 0.150(5) 0.094(3) 0.054(3) 0.052(4) 0.044(5) O16 0.238(7) 0.100(4) 0.074(3) -0.005(3) 0.042(4) 0.010(4) O17 0.070(3) 0.178(6) 0.146(5) 0.002(5) -0.035(3) -0.011(4) O18 0.211(5) 0.105(4) 0.169(4) 0.044(3) 0.128(3) 0.014(4) O19 0.120(4) 0.091(3) 0.050(2) 0.008(2) 0.003(2) 0.044(3) O20 0.066(3) 0.110(3) 0.064(2) 0.037(2) 0.007(2) 0.008(3) O21 0.110(4) 0.059(3) 0.142(4) -0.042(3) -0.025(3) 0.004(3) O22 0.077(3) 0.137(4) 0.126(4) 0.014(4) 0.027(3) 0.048(3) O23 0.112(2) 0.141(3) 0.195(3) -0.064(2) -0.074(2) 0.057(2) O24 0.088(2) 0.135(2) 0.209(3) -0.062(2) -0.084(2) 0.062(2) N1 0.146(5) 0.098(4) 0.032(2) -0.025(3) 0.002(3) 0.014(4) N2 0.075(3) 0.067(3) 0.065(3) -0.020(3) 0.008(3) 0.017(3) N3 0.117(5) 0.049(3) 0.110(4) 0.036(3) 0.024(4) -0.012(3) N4 0.093(5) 0.090(5) 0.173(7) -0.017(5) 0.000(5) -0.013(4) N5 0.103(4) 0.096(4) 0.044(3) 0.018(3) 0.003(3) -0.052(3) N6 0.096(4) 0.086(4) 0.064(3) 0.020(3) 0.008(3) 0.028(3) N7 0.102(4) 0.064(3) 0.071(3) -0.011(3) -0.028(3) 0.019(3) N8 0.092(4) 0.110(4) 0.064(3) 0.012(3) -0.003(3) -0.044(3) N9 0.070(3) 0.082(3) 0.058(3) 0.013(3) 0.025(2) 0.042(3) N10 0.071(3) 0.060(3) 0.115(4) 0.017(3) 0.003(3) 0.013(3) N11 0.037(3) 0.140(5) 0.058(3) 0.017(3) -0.006(2) 0.025(3) N12 0.100(4) 0.122(5) 0.174(6) -0.045(5) -0.071(4) 0.058(4) C1 0.069(4) 0.074(4) 0.067(4) 0.033(3) 0.014(3) 0.000(3) C2 0.115(5) 0.060(4) 0.047(3) -0.018(3) -0.015(3) -0.007(4) C3 0.091(5) 0.074(4) 0.105(5) -0.022(4) -0.010(4) 0.036(4) C4 0.063(4) 0.118(6) 0.100(5) 0.004(4) -0.045(3) -0.032(4) C5 0.086(4) 0.150(6) 0.201(8) 0.075(6) 0.029(5) 0.089(4) C6 0.067(4) 0.067(4) 0.069(4) -0.034(3) 0.000(3) 0.002(3) C7 0.073(4) 0.143(5) 0.076(4) -0.019(4) -0.001(3) 0.075(4) C8 0.107(5) 0.134(5) 0.129(5) -0.075(4) 0.058(4) -0.073(4) C9 0.065(4) 0.111(5) 0.083(4) -0.031(4) 0.032(3) 0.015(4) C10 0.100(5) 0.137(6) 0.072(4) -0.030(4) 0.004(4) 0.029(5) C11 0.058(4) 0.130(6) 0.072(4) 0.013(4) 0.033(3) 0.008(4) C12 0.134(7) 0.126(6) 0.079(4) 0.064(4) 0.015(5) 0.020(6) C13 0.129(6) 0.112(6) 0.089(5) 0.035(4) -0.041(4) 0.017(5) C14 0.097(5) 0.087(5) 0.054(3) -0.009(3) 0.015(4) 0.017(4) C15 0.142(6) 0.086(5) 0.054(3) 0.008(3) 0.050(4) 0.007(5) C16 0.100(5) 0.057(5) 0.249(9) 0.000(6) 0.084(6) -0.001(4) C17 0.138(3) 0.093(3) 0.353(3) -0.071(3) 0.025(3) -0.015(3) C18 0.1473(18) 0.1034(18) 0.3563(19) -0.0664(18) 0.0303(18) -0.0163(18) C19 0.179(8) 0.096(6) 0.166(7) -0.047(5) 0.097(6) -0.051(6) C20 0.122(6) 0.099(6) 0.204(8) -0.017(6) 0.089(6) -0.013(5) C21 0.109(5) 0.059(4) 0.084(4) 0.016(4) -0.020(4) -0.028(4) C22 0.081(3) 0.190(3) 0.177(3) 0.037(3) 0.010(3) -0.082(3) C23 0.088(2) 0.201(2) 0.187(2) 0.041(2) 0.013(2) -0.0844(19) C24 0.082(4) 0.108(5) 0.100(5) 0.044(4) -0.012(4) -0.053(4) C25 0.151(7) 0.061(4) 0.117(5) 0.049(4) 0.006(5) -0.018(5) C26 0.082(4) 0.094(4) 0.051(3) 0.024(3) -0.011(3) -0.045(4) C27 0.048(3) 0.076(4) 0.063(3) -0.003(3) 0.001(3) -0.015(3) C28 0.116(5) 0.073(4) 0.046(3) -0.013(3) -0.003(4) -0.009(4) C29 0.067(4) 0.105(5) 0.061(4) 0.004(4) -0.021(3) 0.017(4) C30 0.078(4) 0.064(4) 0.091(4) 0.030(3) 0.006(4) 0.016(4) C31 0.050(3) 0.058(4) 0.098(4) -0.002(3) 0.001(3) -0.010(3) C32 0.058(4) 0.070(4) 0.081(4) 0.008(3) 0.011(3) 0.034(3) C33 0.098(4) 0.030(3) 0.085(4) 0.006(3) -0.041(3) 0.033(3) C34 0.117(6) 0.061(4) 0.073(4) 0.022(3) -0.023(4) 0.006(4) C35 0.112(5) 0.065(4) 0.068(4) -0.034(3) 0.017(4) 0.024(4) C36 0.060(4) 0.090(5) 0.056(3) 0.000(3) 0.014(3) 0.000(3) C37 0.167(7) 0.056(4) 0.068(4) -0.013(3) 0.040(4) 0.018(5) C38 0.215(9) 0.078(5) 0.038(3) 0.003(4) 0.009(5) 0.026(6) C39 0.147(7) 0.111(6) 0.052(4) 0.020(4) -0.022(4) -0.010(6) C40 0.164(7) 0.091(5) 0.078(4) -0.032(4) 0.044(5) -0.039(5) C41 0.061(4) 0.101(5) 0.055(3) 0.021(3) 0.004(3) -0.006(4) C42 0.074(4) 0.044(3) 0.091(4) -0.003(3) 0.019(4) 0.015(3) C43 0.043(4) 0.095(5) 0.150(7) 0.014(5) 0.015(4) 0.013(4) C44 0.053(3) 0.061(3) 0.086(4) -0.044(3) -0.017(3) 0.015(3) C45 0.125(6) 0.087(5) 0.047(3) 0.028(3) -0.022(4) 0.006(4) C46 0.036(3) 0.076(4) 0.070(4) 0.013(3) 0.002(3) 0.009(3) C47 0.063(4) 0.076(4) 0.066(3) 0.023(3) 0.005(3) 0.028(3) C48 0.200(8) 0.039(3) 0.045(3) -0.019(3) -0.014(4) 0.000(5) C49 0.075(4) 0.079(4) 0.100(5) 0.017(4) -0.002(4) 0.029(4) C50 0.129(6) 0.080(4) 0.078(4) 0.044(3) -0.018(4) -0.045(4) C51 0.096(5) 0.054(4) 0.043(3) -0.003(3) 0.015(3) -0.010(4) C52 0.109(5) 0.060(4) 0.068(4) 0.001(3) 0.028(4) 0.022(4) C53 0.095(5) 0.097(5) 0.055(4) 0.012(3) -0.011(3) 0.049(4) C54 0.094(5) 0.052(4) 0.108(5) -0.011(4) 0.041(4) 0.016(4) C55 0.050(4) 0.131(6) 0.286(9) -0.124(5) -0.062(5) 0.038(4) C56 0.087(5) 0.081(5) 0.069(4) -0.012(4) 0.002(4) -0.012(4) C57 0.094(3) 0.134(3) 0.187(3) -0.066(3) -0.080(3) 0.065(3) C58 0.1019(17) 0.1356(18) 0.1965(18) -0.0666(18) -0.0771(17) 0.0605(17) C59 0.125(7) 0.148(7) 0.063(4) -0.017(5) -0.024(4) -0.009(6) C60 0.092(5) 0.256(10) 0.102(6) -0.019(6) -0.022(5) 0.106(5) O25 0.135(9) 0.111(9) 0.155(10) 0.012(8) -0.039(8) -0.045(7) O26 0.157(5) 0.187(6) 0.125(4) -0.022(5) 0.063(4) -0.002(5) O27 0.149(3) 0.130(3) 0.095(2) 0.014(2) -0.034(2) -0.014(2) O28 0.166(3) 0.146(3) 0.121(3) 0.018(2) -0.022(3) -0.018(3) C61 0.163(2) 0.138(2) 0.107(2) 0.016(2) -0.029(2) -0.016(2) C62 0.223(6) 0.167(5) 0.121(5) 0.038(5) -0.046(5) -0.011(5) O29 0.085(3) 0.111(3) 0.071(3) -0.007(3) -0.008(2) -0.030(3) O30 0.068(3) 0.054(2) 0.082(2) 0.026(2) 0.007(2) 0.006(2) O31 0.183(5) 0.096(4) 0.209(5) 0.049(4) 0.102(4) 0.071(3) O32 0.249(7) 0.114(5) 0.133(4) -0.016(4) -0.092(4) 0.023(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 N2 2.030(5) . ? Pt1 N1 2.053(5) . ? Pt1 S1 2.2571(18) . ? Pt1 S2 2.2679(17) . ? Pt2 N4 1.983(6) . ? Pt2 N3 2.045(5) . ? Pt2 S3 2.2208(19) . ? Pt2 S4 2.277(2) . ? Pt3 N5 2.031(5) . ? Pt3 N6 2.051(5) . ? Pt3 S6 2.2505(17) . ? Pt3 S5 2.2610(19) . ? Pt4 N8 2.016(5) . ? Pt4 N7 2.057(5) . ? Pt4 S8 2.2407(17) . ? Pt4 S7 2.2631(16) . ? Pt5 N9 2.039(5) . ? Pt5 N10 2.040(5) . ? Pt5 S10 2.2573(17) . ? Pt5 S9 2.2574(17) . ? Pt6 N12 2.000(7) . ? Pt6 N11 2.007(5) . ? Pt6 S12 2.2480(19) . ? Pt6 S11 2.2707(17) . ? Ag1 S10 2.4598(17) . ? Ag1 S1 2.4670(19) . ? Ag1 S3 2.491(2) . ? Ag2 S2 2.5082(19) . ? Ag2 S5 2.5143(19) . ? Ag2 S3 2.5378(19) . ? Ag2 Cl1 2.8519(16) . ? Ag3 S6 2.4909(18) . ? Ag3 S2 2.5042(17) . ? Ag3 S7 2.5064(18) . ? Ag4 S9 2.5394(17) . ? Ag4 S7 2.5450(17) . ? Ag4 S1 2.5556(16) . ? Ag4 Cl1 2.8358(17) . ? Ag5 S4 2.476(2) . ? Ag5 S11 2.5246(17) . ? Ag5 S10 2.5511(17) . ? Ag5 Cl1 2.8594(17) . ? Ag6 S5 2.486(2) . ? Ag6 S4 2.500(2) . ? Ag6 S12 2.539(2) . ? Ag7 S8 2.5153(18) . ? Ag7 S12 2.538(2) . ? Ag7 S6 2.5431(18) . ? Ag7 Cl1 2.8284(16) . ? Ag8 S8 2.5135(18) . ? Ag8 S11 2.5140(18) . ? Ag8 S9 2.5340(18) . ? Ag8 O26 2.593(7) . ? La1 O11 2.457(5) 5_675 ? La1 O3 2.460(4) 4_655 ? La1 O32 2.486(6) . ? La1 O31 2.490(6) . ? La1 O20 2.509(4) . ? La1 O29 2.527(5) . ? La1 O30 2.610(4) . ? La1 O28 2.667(7) . ? La1 O27 2.695(6) . ? La1 C61 3.139(10) . ? S1 C1 1.848(7) . ? S2 C6 1.834(6) . ? S3 C11 1.856(7) . ? S4 C16 1.789(7) . ? S5 C21 1.793(8) . ? S6 C26 1.841(7) . ? S7 C31 1.863(6) . ? S8 C36 1.848(6) . ? S9 C41 1.856(7) . ? S10 C46 1.898(6) . ? S11 C51 1.855(6) . ? S12 C56 1.802(7) . ? O1 C3 1.065(9) . ? O2 C3 1.297(9) . ? O3 C8 1.127(9) . ? O3 La1 2.460(4) 4_645 ? O4 C8 1.483(11) . ? O5 C13 1.108(10) . ? O6 C13 1.246(10) . ? O7 C18 1.249(8) . ? O7 La4 2.688(11) . ? O8 C18 1.245(8) . ? O8 La2 2.062(7) . ? O9 C23 1.241(8) . ? O9 La6 2.639(10) . ? O10 C23 1.231(7) . ? O11 C28 1.225(8) . ? O11 La1 2.457(5) 5_765 ? O12 C28 1.268(8) . ? O13 C33 1.174(8) . ? O14 C33 1.265(8) . ? O15 C38 1.322(10) . ? O16 C38 1.200(9) . ? O17 C43 1.156(10) . ? O18 C43 1.345(10) . ? O19 C48 1.362(10) . ? O20 C48 1.168(8) . ? O21 C53 1.194(8) . ? O22 C53 1.371(9) . ? O23 C58 1.350(9) . ? O23 La3 2.727(9) . ? O24 C58 1.021(8) . ? O24 La5 2.741(10) . ? N1 C2 1.443(9) . ? N2 C7 1.513(8) . ? N3 C12 1.485(10) . ? N4 C17 1.459(7) . ? N5 C22 1.394(11) . ? N6 C27 1.512(8) . ? N7 C32 1.457(8) . ? N8 C37 1.570(9) . ? N9 C42 1.540(8) . ? N10 C47 1.496(8) . ? N11 C52 1.452(8) . ? N12 C57 1.510(9) . ? C1 C4 1.438(10) . ? C1 C2 1.590(8) . ? C1 C5 1.669(10) . ? C2 C3 1.504(10) . ? C6 C10 1.520(9) . ? C6 C9 1.522(9) . ? C6 C7 1.552(10) . ? C7 C8 1.518(10) . ? C11 C15 1.548(10) . ? C11 C12 1.558(11) . ? C11 C14 1.582(9) . ? C12 C13 1.660(10) . ? C16 C17 1.472(8) . ? C16 C19 1.507(11) . ? C16 C20 1.702(12) . ? C17 C18 1.562(7) . ? C18 La2 2.941(7) . ? C21 C24 1.475(10) . ? C21 C22 1.531(12) . ? C21 C25 1.604(9) . ? C22 C23 1.559(11) . ? C26 C30 1.481(9) . ? C26 C27 1.534(9) . ? C26 C29 1.542(8) . ? C27 C28 1.536(9) . ? C31 C34 1.415(9) . ? C31 C35 1.510(9) . ? C31 C32 1.579(9) . ? C32 C33 1.572(8) . ? C36 C39 1.409(10) . ? C36 C40 1.443(10) . ? C36 C37 1.468(10) . ? C37 C38 1.547(9) . ? C41 C42 1.491(9) . ? C41 C45 1.554(9) . ? C41 C44 1.626(8) . ? C42 C43 1.580(9) . ? C46 C47 1.479(8) . ? C46 C50 1.479(9) . ? C46 C49 1.543(9) . ? C47 C48 1.525(9) . ? C51 C54 1.486(9) . ? C51 C52 1.525(8) . ? C51 C55 1.538(10) . ? C52 C53 1.550(9) . ? C56 C59 1.460(10) . ? C56 C60 1.575(11) . ? C56 C57 1.587(11) . ? C57 C58 1.561(8) . ? O27 C61 1.133(12) . ? O28 C61 1.352(12) . ? C61 C62 1.375(14) . ? La2 O53 2.152(4) . ? La2 O51 2.774(9) . ? La3 La6 1.487(11) 8_645 ? La3 La3 2.304(14) 6_556 ? La3 La7 2.670(13) 8_645 ? La3 O46 2.931(16) 6_556 ? La3 La6 3.642(12) 3_465 ? La3 La7 3.885(13) 3_465 ? La4 O53 2.465(14) . ? La4 La4 2.837(19) 5_775 ? La5 O44 2.927(14) . ? La5 La6 3.986(12) 8_645 ? La6 La3 1.487(11) 7_564 ? La6 O46 2.564(17) 3_565 ? La6 La3 3.642(12) 3_565 ? La6 La5 3.986(12) 7_564 ? La7 O52 2.55(2) . ? La7 La3 2.670(13) 7_564 ? La7 La3 3.885(13) 3_565 ? La7 La7 4.00(2) 5_775 ? O46 La6 2.564(17) 3_465 ? O46 La3 2.931(16) 6_556 ? O53 La2 2.152(4) 5_775 ? O53 La4 2.464(14) 5_775 ? 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 N2 Pt1 N1 91.3(2) . . ? N2 Pt1 S1 174.56(15) . . ? N1 Pt1 S1 83.96(17) . . ? N2 Pt1 S2 85.84(14) . . ? N1 Pt1 S2 172.55(16) . . ? S1 Pt1 S2 99.15(6) . . ? N4 Pt2 N3 91.2(2) . . ? N4 Pt2 S3 170.3(2) . . ? N3 Pt2 S3 87.81(15) . . ? N4 Pt2 S4 84.41(15) . . ? N3 Pt2 S4 171.64(16) . . ? S3 Pt2 S4 97.72(6) . . ? N5 Pt3 N6 93.1(2) . . ? N5 Pt3 S6 177.55(14) . . ? N6 Pt3 S6 85.20(16) . . ? N5 Pt3 S5 83.69(15) . . ? N6 Pt3 S5 175.95(16) . . ? S6 Pt3 S5 98.07(7) . . ? N8 Pt4 N7 90.0(2) . . ? N8 Pt4 S8 86.00(17) . . ? N7 Pt4 S8 173.98(15) . . ? N8 Pt4 S7 175.06(17) . . ? N7 Pt4 S7 85.11(15) . . ? S8 Pt4 S7 98.92(6) . . ? N9 Pt5 N10 92.6(2) . . ? N9 Pt5 S10 175.40(15) . . ? N10 Pt5 S10 84.21(16) . . ? N9 Pt5 S9 86.01(14) . . ? N10 Pt5 S9 174.34(16) . . ? S10 Pt5 S9 97.46(6) . . ? N12 Pt6 N11 93.9(2) . . ? N12 Pt6 S12 82.5(2) . . ? N11 Pt6 S12 176.14(14) . . ? N12 Pt6 S11 177.7(2) . . ? N11 Pt6 S11 84.45(14) . . ? S12 Pt6 S11 99.21(6) . . ? S10 Ag1 S1 122.15(6) . . ? S10 Ag1 S3 118.53(6) . . ? S1 Ag1 S3 117.50(6) . . ? S2 Ag2 S5 126.14(6) . . ? S2 Ag2 S3 119.43(6) . . ? S5 Ag2 S3 113.62(6) . . ? S2 Ag2 Cl1 96.55(5) . . ? S5 Ag2 Cl1 93.45(5) . . ? S3 Ag2 Cl1 88.44(5) . . ? S6 Ag3 S2 124.72(6) . . ? S6 Ag3 S7 117.77(6) . . ? S2 Ag3 S7 113.91(6) . . ? S9 Ag4 S7 118.54(6) . . ? S9 Ag4 S1 124.73(6) . . ? S7 Ag4 S1 116.04(6) . . ? S9 Ag4 Cl1 94.50(5) . . ? S7 Ag4 Cl1 89.08(5) . . ? S1 Ag4 Cl1 94.41(5) . . ? S4 Ag5 S11 121.74(6) . . ? S4 Ag5 S10 124.55(6) . . ? S11 Ag5 S10 112.64(6) . . ? S4 Ag5 Cl1 94.38(6) . . ? S11 Ag5 Cl1 94.01(5) . . ? S10 Ag5 Cl1 91.82(5) . . ? S5 Ag6 S4 113.55(7) . . ? S5 Ag6 S12 118.64(7) . . ? S4 Ag6 S12 112.92(7) . . ? S8 Ag7 S12 117.13(6) . . ? S8 Ag7 S6 124.67(6) . . ? S12 Ag7 S6 116.87(6) . . ? S8 Ag7 Cl1 93.90(5) . . ? S12 Ag7 Cl1 93.15(6) . . ? S6 Ag7 Cl1 94.40(5) . . ? S8 Ag8 S11 115.07(6) . . ? S8 Ag8 S9 110.46(6) . . ? S11 Ag8 S9 110.36(6) . . ? S8 Ag8 O26 105.56(17) . . ? S11 Ag8 O26 104.58(17) . . ? S9 Ag8 O26 110.51(16) . . ? Ag7 Cl1 Ag4 109.78(5) . . ? Ag7 Cl1 Ag2 108.92(5) . . ? Ag4 Cl1 Ag2 109.31(5) . . ? Ag7 Cl1 Ag5 108.92(5) . . ? Ag4 Cl1 Ag5 109.09(5) . . ? Ag2 Cl1 Ag5 110.81(5) . . ? O11 La1 O3 76.36(15) 5_675 4_655 ? O11 La1 O32 147.33(18) 5_675 . ? O3 La1 O32 85.36(19) 4_655 . ? O11 La1 O31 129.20(18) 5_675 . ? O3 La1 O31 71.78(19) 4_655 . ? O32 La1 O31 67.1(2) . . ? O11 La1 O20 139.30(14) 5_675 . ? O3 La1 O20 141.19(15) 4_655 . ? O32 La1 O20 68.58(17) . . ? O31 La1 O20 71.74(18) . . ? O11 La1 O29 77.62(15) 5_675 . ? O3 La1 O29 70.80(15) 4_655 . ? O32 La1 O29 70.8(2) . . ? O31 La1 O29 124.82(19) . . ? O20 La1 O29 122.29(15) . . ? O11 La1 O30 85.16(13) 5_675 . ? O3 La1 O30 137.69(14) 4_655 . ? O32 La1 O30 90.8(2) . . ? O31 La1 O30 143.42(17) . . ? O20 La1 O30 73.14(13) . . ? O29 La1 O30 68.19(14) . . ? O11 La1 O28 79.51(18) 5_675 . ? O3 La1 O28 102.38(18) 4_655 . ? O32 La1 O28 131.4(2) . . ? O31 La1 O28 70.2(2) . . ? O20 La1 O28 77.11(18) . . ? O29 La1 O28 157.09(19) . . ? O30 La1 O28 111.29(17) . . ? O11 La1 O27 68.65(16) 5_675 . ? O3 La1 O27 135.64(17) 4_655 . ? O32 La1 O27 137.88(19) . . ? O31 La1 O27 110.9(2) . . ? O20 La1 O27 71.12(16) . . ? O29 La1 O27 124.29(17) . . ? O30 La1 O27 66.02(16) . . ? O28 La1 O27 45.9(2) . . ? O11 La1 C61 72.0(2) 5_675 . ? O3 La1 C61 121.9(2) 4_655 . ? O32 La1 C61 140.2(2) . . ? O31 La1 C61 92.7(3) . . ? O20 La1 C61 72.7(2) . . ? O29 La1 C61 141.8(2) . . ? O30 La1 C61 86.4(2) . . ? O28 La1 C61 25.3(2) . . ? O27 La1 C61 20.6(2) . . ? C1 S1 Pt1 99.8(2) . . ? C1 S1 Ag1 118.8(2) . . ? Pt1 S1 Ag1 125.61(8) . . ? C1 S1 Ag4 111.5(2) . . ? Pt1 S1 Ag4 116.37(7) . . ? Ag1 S1 Ag4 84.86(5) . . ? C6 S2 Pt1 100.2(2) . . ? C6 S2 Ag3 118.1(2) . . ? Pt1 S2 Ag3 120.27(8) . . ? C6 S2 Ag2 113.7(2) . . ? Pt1 S2 Ag2 120.78(8) . . ? Ag3 S2 Ag2 84.84(6) . . ? C11 S3 Pt2 99.8(3) . . ? C11 S3 Ag1 109.7(2) . . ? Pt2 S3 Ag1 120.13(8) . . ? C11 S3 Ag2 113.9(3) . . ? Pt2 S3 Ag2 121.82(8) . . ? Ag1 S3 Ag2 92.09(6) . . ? C16 S4 Pt2 96.4(3) . . ? C16 S4 Ag5 114.1(2) . . ? Pt2 S4 Ag5 112.41(8) . . ? C16 S4 Ag6 116.0(3) . . ? Pt2 S4 Ag6 121.36(8) . . ? Ag5 S4 Ag6 97.63(7) . . ? C21 S5 Pt3 99.5(2) . . ? C21 S5 Ag6 114.7(2) . . ? Pt3 S5 Ag6 117.00(8) . . ? C21 S5 Ag2 110.4(2) . . ? Pt3 S5 Ag2 114.88(8) . . ? Ag6 S5 Ag2 100.88(7) . . ? C26 S6 Pt3 103.4(2) . . ? C26 S6 Ag3 111.6(2) . . ? Pt3 S6 Ag3 117.45(7) . . ? C26 S6 Ag7 115.3(2) . . ? Pt3 S6 Ag7 119.90(8) . . ? Ag3 S6 Ag7 89.37(6) . . ? C31 S7 Pt4 100.2(2) . . ? C31 S7 Ag3 114.2(2) . . ? Pt4 S7 Ag3 123.37(7) . . ? C31 S7 Ag4 110.4(2) . . ? Pt4 S7 Ag4 113.02(7) . . ? Ag3 S7 Ag4 95.96(6) . . ? C36 S8 Pt4 100.7(2) . . ? C36 S8 Ag8 112.1(2) . . ? Pt4 S8 Ag8 119.51(7) . . ? C36 S8 Ag7 108.4(2) . . ? Pt4 S8 Ag7 114.95(7) . . ? Ag8 S8 Ag7 101.09(6) . . ? C41 S9 Pt5 99.7(2) . . ? C41 S9 Ag8 108.38(19) . . ? Pt5 S9 Ag8 121.30(7) . . ? C41 S9 Ag4 113.1(2) . . ? Pt5 S9 Ag4 112.54(7) . . ? Ag8 S9 Ag4 102.16(6) . . ? C46 S10 Pt5 102.08(18) . . ? C46 S10 Ag1 108.62(19) . . ? Pt5 S10 Ag1 119.07(7) . . ? C46 S10 Ag5 117.18(19) . . ? Pt5 S10 Ag5 121.28(7) . . ? Ag1 S10 Ag5 88.71(6) . . ? C51 S11 Pt6 99.4(2) . . ? C51 S11 Ag8 111.7(2) . . ? Pt6 S11 Ag8 117.28(7) . . ? C51 S11 Ag5 111.80(18) . . ? Pt6 S11 Ag5 113.05(7) . . ? Ag8 S11 Ag5 103.93(6) . . ? C56 S12 Pt6 100.0(2) . . ? C56 S12 Ag7 110.7(2) . . ? Pt6 S12 Ag7 118.63(8) . . ? C56 S12 Ag6 111.8(2) . . ? Pt6 S12 Ag6 120.04(8) . . ? Ag7 S12 Ag6 96.15(7) . . ? C8 O3 La1 150.3(5) . 4_645 ? C18 O7 La4 130.8(5) . . ? C18 O8 La2 123.7(4) . . ? C23 O9 La6 123.6(5) . . ? C28 O11 La1 139.4(4) . 5_765 ? C48 O20 La1 140.7(5) . . ? C58 O23 La3 172.2(6) . . ? C58 O24 La5 107.2(6) . . ? C2 N1 Pt1 120.3(4) . . ? C7 N2 Pt1 115.5(4) . . ? C12 N3 Pt2 109.0(4) . . ? C17 N4 Pt2 119.7(4) . . ? C22 N5 Pt3 115.1(5) . . ? C27 N6 Pt3 111.7(4) . . ? C32 N7 Pt4 114.9(4) . . ? C37 N8 Pt4 114.9(4) . . ? C42 N9 Pt5 113.7(4) . . ? C47 N10 Pt5 116.4(4) . . ? C52 N11 Pt6 120.0(4) . . ? C57 N12 Pt6 120.0(5) . . ? C4 C1 C2 114.9(6) . . ? C4 C1 C5 110.9(6) . . ? C2 C1 C5 104.7(5) . . ? C4 C1 S1 114.3(4) . . ? C2 C1 S1 107.2(4) . . ? C5 C1 S1 103.7(4) . . ? N1 C2 C3 109.3(5) . . ? N1 C2 C1 105.2(5) . . ? C3 C2 C1 110.0(6) . . ? O1 C3 O2 121.4(7) . . ? O1 C3 C2 126.5(7) . . ? O2 C3 C2 111.6(6) . . ? C10 C6 C9 113.5(6) . . ? C10 C6 C7 112.3(6) . . ? C9 C6 C7 112.8(5) . . ? C10 C6 S2 104.3(4) . . ? C9 C6 S2 108.3(4) . . ? C7 C6 S2 104.9(4) . . ? N2 C7 C8 101.3(5) . . ? N2 C7 C6 110.4(6) . . ? C8 C7 C6 111.8(6) . . ? O3 C8 O4 125.1(7) . . ? O3 C8 C7 128.7(7) . . ? O4 C8 C7 106.2(6) . . ? C15 C11 C12 115.9(6) . . ? C15 C11 C14 108.4(6) . . ? C12 C11 C14 117.6(6) . . ? C15 C11 S3 106.9(5) . . ? C12 C11 S3 101.5(5) . . ? C14 C11 S3 105.3(4) . . ? N3 C12 C11 110.1(6) . . ? N3 C12 C13 104.9(6) . . ? C11 C12 C13 104.1(6) . . ? O5 C13 O6 129.1(8) . . ? O5 C13 C12 119.2(7) . . ? O6 C13 C12 111.2(7) . . ? C17 C16 C19 108.8(6) . . ? C17 C16 C20 110.7(6) . . ? C19 C16 C20 109.9(6) . . ? C17 C16 S4 110.2(5) . . ? C19 C16 S4 110.7(5) . . ? C20 C16 S4 106.5(5) . . ? N4 C17 C16 108.3(6) . . ? N4 C17 C18 108.9(5) . . ? C16 C17 C18 118.3(5) . . ? O8 C18 O7 121.1(6) . . ? O8 C18 C17 119.8(5) . . ? O7 C18 C17 115.8(6) . . ? O7 C18 La2 91.2(4) . . ? C17 C18 La2 153.1(4) . . ? C24 C21 C22 110.2(7) . . ? C24 C21 C25 110.8(6) . . ? C22 C21 C25 115.5(6) . . ? C24 C21 S5 111.9(5) . . ? C22 C21 S5 103.4(5) . . ? C25 C21 S5 104.7(5) . . ? N5 C22 C21 110.0(7) . . ? N5 C22 C23 105.7(6) . . ? C21 C22 C23 113.8(8) . . ? O10 C23 O9 116.6(7) . . ? O10 C23 C22 121.5(7) . . ? O9 C23 C22 121.6(6) . . ? C30 C26 C27 113.1(5) . . ? C30 C26 C29 112.8(5) . . ? C27 C26 C29 109.0(5) . . ? C30 C26 S6 107.9(4) . . ? C27 C26 S6 103.3(4) . . ? C29 C26 S6 110.3(5) . . ? N6 C27 C26 111.9(5) . . ? N6 C27 C28 105.7(5) . . ? C26 C27 C28 114.3(5) . . ? O11 C28 O12 125.5(6) . . ? O11 C28 C27 122.1(6) . . ? O12 C28 C27 112.3(6) . . ? C34 C31 C35 114.6(6) . . ? C34 C31 C32 111.6(5) . . ? C35 C31 C32 111.2(5) . . ? C34 C31 S7 108.4(5) . . ? C35 C31 S7 106.9(4) . . ? C32 C31 S7 103.3(4) . . ? N7 C32 C33 109.3(5) . . ? N7 C32 C31 108.3(5) . . ? C33 C32 C31 112.6(5) . . ? O13 C33 O14 128.2(6) . . ? O13 C33 C32 121.3(5) . . ? O14 C33 C32 110.5(5) . . ? C39 C36 C40 114.9(6) . . ? C39 C36 C37 107.5(6) . . ? C40 C36 C37 109.5(6) . . ? C39 C36 S8 111.8(5) . . ? C40 C36 S8 107.3(5) . . ? C37 C36 S8 105.5(4) . . ? C36 C37 C38 118.5(7) . . ? C36 C37 N8 113.1(6) . . ? C38 C37 N8 107.0(5) . . ? O16 C38 O15 123.2(6) . . ? O16 C38 C37 119.8(7) . . ? O15 C38 C37 116.1(6) . . ? C42 C41 C45 113.5(5) . . ? C42 C41 C44 111.6(5) . . ? C45 C41 C44 107.2(5) . . ? C42 C41 S9 106.1(5) . . ? C45 C41 S9 113.3(5) . . ? C44 C41 S9 104.9(4) . . ? C41 C42 N9 109.0(5) . . ? C41 C42 C43 111.7(5) . . ? N9 C42 C43 108.4(5) . . ? O17 C43 O18 125.8(7) . . ? O17 C43 C42 122.7(8) . . ? O18 C43 C42 111.4(6) . . ? C47 C46 C50 117.1(5) . . ? C47 C46 C49 108.8(5) . . ? C50 C46 C49 112.3(5) . . ? C47 C46 S10 105.3(4) . . ? C50 C46 S10 106.0(4) . . ? C49 C46 S10 106.6(4) . . ? C46 C47 N10 111.9(5) . . ? C46 C47 C48 111.2(6) . . ? N10 C47 C48 115.7(6) . . ? O20 C48 O19 124.7(6) . . ? O20 C48 C47 120.1(7) . . ? O19 C48 C47 115.0(5) . . ? C54 C51 C52 112.4(5) . . ? C54 C51 C55 108.7(6) . . ? C52 C51 C55 113.8(6) . . ? C54 C51 S11 109.2(4) . . ? C52 C51 S11 107.3(4) . . ? C55 C51 S11 105.0(4) . . ? N11 C52 C51 109.1(5) . . ? N11 C52 C53 110.0(5) . . ? C51 C52 C53 110.1(5) . . ? O21 C53 O22 125.4(7) . . ? O21 C53 C52 122.1(6) . . ? O22 C53 C52 112.4(6) . . ? C59 C56 C60 108.4(7) . . ? C59 C56 C57 116.3(6) . . ? C60 C56 C57 103.1(6) . . ? C59 C56 S12 113.6(5) . . ? C60 C56 S12 109.6(5) . . ? C57 C56 S12 105.3(4) . . ? N12 C57 C58 118.3(6) . . ? N12 C57 C56 99.1(5) . . ? C58 C57 C56 111.2(6) . . ? O24 C58 O23 121.6(7) . . ? O24 C58 C57 130.4(7) . . ? O23 C58 C57 108.0(5) . . ? C61 O27 La1 102.4(6) . . ? C61 O28 La1 97.3(6) . . ? O27 C61 O28 114.4(9) . . ? O27 C61 C62 116.7(10) . . ? O28 C61 C62 128.8(10) . . ? O27 C61 La1 57.0(5) . . ? O28 C61 La1 57.4(5) . . ? C62 C61 La1 173.7(8) . . ? O8 La2 O53 103.7(3) . . ? O8 La2 O51 61.5(3) . . ? O53 La2 O51 146.2(3) . . ? O8 La2 C18 20.63(18) . . ? O53 La2 C18 84.62(19) . . ? O51 La2 C18 74.2(2) . . ? La6 La3 La3 146.9(6) 8_645 6_556 ? La6 La3 La7 69.2(5) 8_645 8_645 ? La3 La3 La7 102.5(3) 6_556 8_645 ? La6 La3 O23 90.6(5) 8_645 . ? La3 La3 O23 121.4(4) 6_556 . ? La7 La3 O23 86.0(3) 8_645 . ? La6 La3 O46 61.0(5) 8_645 6_556 ? La3 La3 O46 86.1(4) 6_556 6_556 ? La7 La3 O46 76.8(4) 8_645 6_556 ? O23 La3 O46 150.5(4) . 6_556 ? La6 La3 La6 146.2(6) 8_645 3_465 ? La3 La3 La6 12.9(2) 6_556 3_465 ? La7 La3 La6 90.8(3) 8_645 3_465 ? O23 La3 La6 115.8(3) . 3_465 ? O46 La3 La6 88.7(4) 6_556 3_465 ? La6 La3 La7 106.9(5) 8_645 3_465 ? La3 La3 La7 42.1(2) 6_556 3_465 ? La7 La3 La7 72.5(4) 8_645 3_465 ? O23 La3 La7 144.4(3) . 3_465 ? O46 La3 La7 51.1(3) 6_556 3_465 ? La6 La3 La7 39.5(2) 3_465 3_465 ? O53 La4 O7 78.2(3) . . ? O53 La4 La4 54.9(3) . 5_775 ? O7 La4 La4 125.3(4) . 5_775 ? O24 La5 O44 130.0(4) . . ? O24 La5 La6 88.7(3) . 8_645 ? O44 La5 La6 123.3(3) . 8_645 ? La3 La6 O46 88.6(6) 7_564 3_565 ? La3 La6 O9 166.8(6) 7_564 . ? O46 La6 O9 81.3(4) 3_565 . ? La3 La6 La3 20.2(4) 7_564 3_565 ? O46 La6 La3 68.5(4) 3_565 3_565 ? O9 La6 La3 148.1(4) . 3_565 ? La3 La6 La5 111.0(5) 7_564 7_564 ? O46 La6 La5 157.8(5) 3_565 7_564 ? O9 La6 La5 80.6(3) . 7_564 ? La3 La6 La5 131.1(3) 3_565 7_564 ? O52 La7 La3 140.6(6) . 7_564 ? O52 La7 La3 112.2(5) . 3_565 ? La3 La7 La3 35.4(3) 7_564 3_565 ? O52 La7 La7 74.1(5) . 5_775 ? La3 La7 La7 67.9(3) 7_564 5_775 ? La3 La7 La7 39.56(19) 3_565 5_775 ? La2 O53 La2 169.1(7) 5_775 . ? La2 O53 La4 87.6(4) 5_775 5_775 ? La2 O53 La4 83.4(4) . 5_775 ? La2 O53 La4 83.4(4) 5_775 . ? La2 O53 La4 87.6(4) . . ? La4 O53 La4 70.3(6) 5_775 . ? 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 S8 Ag7 Cl1 Ag4 -29.09(6) . . . . ? S12 Ag7 Cl1 Ag4 -146.57(6) . . . . ? S6 Ag7 Cl1 Ag4 96.16(6) . . . . ? S8 Ag7 Cl1 Ag2 -148.75(6) . . . . ? S12 Ag7 Cl1 Ag2 93.77(6) . . . . ? S6 Ag7 Cl1 Ag2 -23.50(7) . . . . ? S8 Ag7 Cl1 Ag5 90.29(6) . . . . ? S12 Ag7 Cl1 Ag5 -27.19(7) . . . . ? S6 Ag7 Cl1 Ag5 -144.46(6) . . . . ? S9 Ag4 Cl1 Ag7 86.21(6) . . . . ? S7 Ag4 Cl1 Ag7 -32.35(6) . . . . ? S1 Ag4 Cl1 Ag7 -148.39(6) . . . . ? S9 Ag4 Cl1 Ag2 -154.37(6) . . . . ? S7 Ag4 Cl1 Ag2 87.07(6) . . . . ? S1 Ag4 Cl1 Ag2 -28.97(6) . . . . ? S9 Ag4 Cl1 Ag5 -33.07(6) . . . . ? S7 Ag4 Cl1 Ag5 -151.62(6) . . . . ? S1 Ag4 Cl1 Ag5 92.33(6) . . . . ? S2 Ag2 Cl1 Ag7 92.03(6) . . . . ? S5 Ag2 Cl1 Ag7 -34.95(7) . . . . ? S3 Ag2 Cl1 Ag7 -148.52(6) . . . . ? S2 Ag2 Cl1 Ag4 -27.91(6) . . . . ? S5 Ag2 Cl1 Ag4 -154.90(6) . . . . ? S3 Ag2 Cl1 Ag4 91.53(6) . . . . ? S2 Ag2 Cl1 Ag5 -148.17(6) . . . . ? S5 Ag2 Cl1 Ag5 84.85(6) . . . . ? S3 Ag2 Cl1 Ag5 -28.72(6) . . . . ? S4 Ag5 Cl1 Ag7 89.58(7) . . . . ? S11 Ag5 Cl1 Ag7 -32.72(6) . . . . ? S10 Ag5 Cl1 Ag7 -145.56(6) . . . . ? S4 Ag5 Cl1 Ag4 -150.61(6) . . . . ? S11 Ag5 Cl1 Ag4 87.09(6) . . . . ? S10 Ag5 Cl1 Ag4 -25.75(6) . . . . ? S4 Ag5 Cl1 Ag2 -30.22(7) . . . . ? S11 Ag5 Cl1 Ag2 -152.52(6) . . . . ? S10 Ag5 Cl1 Ag2 94.64(6) . . . . ? N1 Pt1 S1 C1 13.6(3) . . . . ? S2 Pt1 S1 C1 -173.3(2) . . . . ? N1 Pt1 S1 Ag1 -122.96(18) . . . . ? S2 Pt1 S1 Ag1 50.20(9) . . . . ? N1 Pt1 S1 Ag4 133.62(17) . . . . ? S2 Pt1 S1 Ag4 -53.21(9) . . . . ? S10 Ag1 S1 C1 63.5(2) . . . . ? S3 Ag1 S1 C1 -132.1(2) . . . . ? S10 Ag1 S1 Pt1 -167.18(7) . . . . ? S3 Ag1 S1 Pt1 -2.78(11) . . . . ? S10 Ag1 S1 Ag4 -48.23(7) . . . . ? S3 Ag1 S1 Ag4 116.17(6) . . . . ? S9 Ag4 S1 C1 -61.9(2) . . . . ? S7 Ag4 S1 C1 108.4(2) . . . . ? Cl1 Ag4 S1 C1 -160.5(2) . . . . ? S9 Ag4 S1 Pt1 -175.44(6) . . . . ? S7 Ag4 S1 Pt1 -5.16(10) . . . . ? Cl1 Ag4 S1 Pt1 85.97(8) . . . . ? S9 Ag4 S1 Ag1 57.11(8) . . . . ? S7 Ag4 S1 Ag1 -132.60(6) . . . . ? Cl1 Ag4 S1 Ag1 -41.47(5) . . . . ? N2 Pt1 S2 C6 16.5(2) . . . . ? S1 Pt1 S2 C6 -165.6(2) . . . . ? N2 Pt1 S2 Ag3 -114.75(16) . . . . ? S1 Pt1 S2 Ag3 63.09(9) . . . . ? N2 Pt1 S2 Ag2 142.17(16) . . . . ? S1 Pt1 S2 Ag2 -40.00(9) . . . . ? S6 Ag3 S2 C6 70.1(2) . . . . ? S7 Ag3 S2 C6 -131.9(2) . . . . ? S6 Ag3 S2 Pt1 -166.90(7) . . . . ? S7 Ag3 S2 Pt1 -8.88(11) . . . . ? S6 Ag3 S2 Ag2 -44.07(8) . . . . ? S7 Ag3 S2 Ag2 113.95(6) . . . . ? S5 Ag2 S2 C6 -63.4(2) . . . . ? S3 Ag2 S2 C6 105.5(2) . . . . ? Cl1 Ag2 S2 C6 -162.5(2) . . . . ? S5 Ag2 S2 Pt1 177.45(7) . . . . ? S3 Ag2 S2 Pt1 -13.60(11) . . . . ? Cl1 Ag2 S2 Pt1 78.31(8) . . . . ? S5 Ag2 S2 Ag3 55.09(8) . . . . ? S3 Ag2 S2 Ag3 -135.96(6) . . . . ? Cl1 Ag2 S2 Ag3 -44.05(5) . . . . ? N3 Pt2 S3 C11 10.9(3) . . . . ? S4 Pt2 S3 C11 -175.4(2) . . . . ? N3 Pt2 S3 Ag1 -108.74(19) . . . . ? S4 Pt2 S3 Ag1 64.97(9) . . . . ? N3 Pt2 S3 Ag2 137.07(19) . . . . ? S4 Pt2 S3 Ag2 -49.23(10) . . . . ? S10 Ag1 S3 C11 -125.9(3) . . . . ? S1 Ag1 S3 C11 69.1(3) . . . . ? S10 Ag1 S3 Pt2 -11.38(11) . . . . ? S1 Ag1 S3 Pt2 -176.35(7) . . . . ? S10 Ag1 S3 Ag2 117.76(6) . . . . ? S1 Ag1 S3 Ag2 -47.21(7) . . . . ? S2 Ag2 S3 C11 -57.1(3) . . . . ? S5 Ag2 S3 C11 113.2(3) . . . . ? Cl1 Ag2 S3 C11 -153.7(3) . . . . ? S2 Ag2 S3 Pt2 -176.58(7) . . . . ? S5 Ag2 S3 Pt2 -6.31(11) . . . . ? Cl1 Ag2 S3 Pt2 86.77(9) . . . . ? S2 Ag2 S3 Ag1 55.55(8) . . . . ? S5 Ag2 S3 Ag1 -134.17(6) . . . . ? Cl1 Ag2 S3 Ag1 -41.10(5) . . . . ? N4 Pt2 S4 C16 19.2(3) . . . . ? S3 Pt2 S4 C16 -170.4(2) . . . . ? N4 Pt2 S4 Ag5 138.6(2) . . . . ? S3 Pt2 S4 Ag5 -50.94(9) . . . . ? N4 Pt2 S4 Ag6 -106.6(2) . . . . ? S3 Pt2 S4 Ag6 63.86(10) . . . . ? S11 Ag5 S4 C16 -68.7(3) . . . . ? S10 Ag5 S4 C16 98.6(3) . . . . ? Cl1 Ag5 S4 C16 -166.2(3) . . . . ? S11 Ag5 S4 Pt2 -177.21(6) . . . . ? S10 Ag5 S4 Pt2 -9.91(11) . . . . ? Cl1 Ag5 S4 Pt2 85.33(8) . . . . ? S11 Ag5 S4 Ag6 54.25(9) . . . . ? S10 Ag5 S4 Ag6 -138.46(6) . . . . ? Cl1 Ag5 S4 Ag6 -43.22(6) . . . . ? S5 Ag6 S4 C16 -135.1(3) . . . . ? S12 Ag6 S4 C16 86.1(3) . . . . ? S5 Ag6 S4 Pt2 -18.86(12) . . . . ? S12 Ag6 S4 Pt2 -157.63(8) . . . . ? S5 Ag6 S4 Ag5 103.29(8) . . . . ? S12 Ag6 S4 Ag5 -35.48(9) . . . . ? N5 Pt3 S5 C21 14.5(3) . . . . ? S6 Pt3 S5 C21 -167.2(2) . . . . ? N5 Pt3 S5 Ag6 -109.57(16) . . . . ? S6 Pt3 S5 Ag6 68.71(9) . . . . ? N5 Pt3 S5 Ag2 132.41(16) . . . . ? S6 Pt3 S5 Ag2 -49.31(9) . . . . ? S4 Ag6 S5 C21 78.9(3) . . . . ? S12 Ag6 S5 C21 -144.9(3) . . . . ? S4 Ag6 S5 Pt3 -165.12(8) . . . . ? S12 Ag6 S5 Pt3 -28.88(12) . . . . ? S4 Ag6 S5 Ag2 -39.75(9) . . . . ? S12 Ag6 S5 Ag2 96.49(8) . . . . ? S2 Ag2 S5 C21 99.2(2) . . . . ? S3 Ag2 S5 C21 -70.3(2) . . . . ? Cl1 Ag2 S5 C21 -160.1(2) . . . . ? S2 Ag2 S5 Pt3 -12.33(12) . . . . ? S3 Ag2 S5 Pt3 178.17(7) . . . . ? Cl1 Ag2 S5 Pt3 88.36(8) . . . . ? S2 Ag2 S5 Ag6 -139.11(7) . . . . ? S3 Ag2 S5 Ag6 51.39(8) . . . . ? Cl1 Ag2 S5 Ag6 -38.42(7) . . . . ? N6 Pt3 S6 C26 5.6(3) . . . . ? S5 Pt3 S6 C26 -176.8(2) . . . . ? N6 Pt3 S6 Ag3 -117.79(16) . . . . ? S5 Pt3 S6 Ag3 59.80(9) . . . . ? N6 Pt3 S6 Ag7 135.68(16) . . . . ? S5 Pt3 S6 Ag7 -46.73(9) . . . . ? S2 Ag3 S6 C26 -127.7(2) . . . . ? S7 Ag3 S6 C26 75.1(2) . . . . ? S2 Ag3 S6 Pt3 -8.59(12) . . . . ? S7 Ag3 S6 Pt3 -165.83(7) . . . . ? S2 Ag3 S6 Ag7 115.20(7) . . . . ? S7 Ag3 S6 Ag7 -42.05(8) . . . . ? S8 Ag7 S6 C26 -56.1(2) . . . . ? S12 Ag7 S6 C26 110.3(2) . . . . ? Cl1 Ag7 S6 C26 -154.0(2) . . . . ? S8 Ag7 S6 Pt3 179.33(6) . . . . ? S12 Ag7 S6 Pt3 -14.28(10) . . . . ? Cl1 Ag7 S6 Pt3 81.51(8) . . . . ? S8 Ag7 S6 Ag3 57.63(8) . . . . ? S12 Ag7 S6 Ag3 -135.98(6) . . . . ? Cl1 Ag7 S6 Ag3 -40.19(6) . . . . ? N7 Pt4 S7 C31 12.4(3) . . . . ? S8 Pt4 S7 C31 -172.1(2) . . . . ? N7 Pt4 S7 Ag3 -115.63(18) . . . . ? S8 Pt4 S7 Ag3 59.86(9) . . . . ? N7 Pt4 S7 Ag4 129.85(17) . . . . ? S8 Pt4 S7 Ag4 -54.65(8) . . . . ? S6 Ag3 S7 C31 -132.7(2) . . . . ? S2 Ag3 S7 C31 67.7(2) . . . . ? S6 Ag3 S7 Pt4 -10.83(11) . . . . ? S2 Ag3 S7 Pt4 -170.48(7) . . . . ? S6 Ag3 S7 Ag4 111.82(7) . . . . ? S2 Ag3 S7 Ag4 -47.83(7) . . . . ? S9 Ag4 S7 C31 107.7(2) . . . . ? S1 Ag4 S7 C31 -63.2(2) . . . . ? Cl1 Ag4 S7 C31 -157.7(2) . . . . ? S9 Ag4 S7 Pt4 -3.51(9) . . . . ? S1 Ag4 S7 Pt4 -174.43(6) . . . . ? Cl1 Ag4 S7 Pt4 91.11(7) . . . . ? S9 Ag4 S7 Ag3 -133.69(6) . . . . ? S1 Ag4 S7 Ag3 55.39(7) . . . . ? Cl1 Ag4 S7 Ag3 -39.07(5) . . . . ? N8 Pt4 S8 C36 19.4(3) . . . . ? S7 Pt4 S8 C36 -160.2(2) . . . . ? N8 Pt4 S8 Ag8 -103.83(18) . . . . ? S7 Pt4 S8 Ag8 76.58(8) . . . . ? N8 Pt4 S8 Ag7 135.71(18) . . . . ? S7 Pt4 S8 Ag7 -43.88(8) . . . . ? S11 Ag8 S8 C36 88.0(2) . . . . ? S9 Ag8 S8 C36 -146.2(2) . . . . ? O26 Ag8 S8 C36 -26.7(3) . . . . ? S11 Ag8 S8 Pt4 -154.49(7) . . . . ? S9 Ag8 S8 Pt4 -28.72(9) . . . . ? O26 Ag8 S8 Pt4 90.76(18) . . . . ? S11 Ag8 S8 Ag7 -27.27(7) . . . . ? S9 Ag8 S8 Ag7 98.50(6) . . . . ? O26 Ag8 S8 Ag7 -142.02(17) . . . . ? S12 Ag7 S8 C36 -69.5(2) . . . . ? S6 Ag7 S8 C36 96.9(2) . . . . ? Cl1 Ag7 S8 C36 -165.1(2) . . . . ? S12 Ag7 S8 Pt4 178.67(7) . . . . ? S6 Ag7 S8 Pt4 -14.97(10) . . . . ? Cl1 Ag7 S8 Pt4 83.12(7) . . . . ? S12 Ag7 S8 Ag8 48.52(8) . . . . ? S6 Ag7 S8 Ag8 -145.12(6) . . . . ? Cl1 Ag7 S8 Ag8 -47.03(6) . . . . ? N9 Pt5 S9 C41 11.8(2) . . . . ? S10 Pt5 S9 C41 -171.3(2) . . . . ? N9 Pt5 S9 Ag8 -106.78(15) . . . . ? S10 Pt5 S9 Ag8 70.19(8) . . . . ? N9 Pt5 S9 Ag4 131.94(15) . . . . ? S10 Pt5 S9 Ag4 -51.09(7) . . . . ? S8 Ag8 S9 C41 87.6(2) . . . . ? S11 Ag8 S9 C41 -144.0(2) . . . . ? O26 Ag8 S9 C41 -28.9(3) . . . . ? S8 Ag8 S9 Pt5 -158.26(7) . . . . ? S11 Ag8 S9 Pt5 -29.88(10) . . . . ? O26 Ag8 S9 Pt5 85.3(2) . . . . ? S8 Ag8 S9 Ag4 -32.11(8) . . . . ? S11 Ag8 S9 Ag4 96.27(7) . . . . ? O26 Ag8 S9 Ag4 -148.55(19) . . . . ? S7 Ag4 S9 C41 -67.9(2) . . . . ? S1 Ag4 S9 C41 102.2(2) . . . . ? Cl1 Ag4 S9 C41 -159.3(2) . . . . ? S7 Ag4 S9 Pt5 -179.90(6) . . . . ? S1 Ag4 S9 Pt5 -9.84(10) . . . . ? Cl1 Ag4 S9 Pt5 88.70(7) . . . . ? S7 Ag4 S9 Ag8 48.43(8) . . . . ? S1 Ag4 S9 Ag8 -141.50(6) . . . . ? Cl1 Ag4 S9 Ag8 -42.96(6) . . . . ? N10 Pt5 S10 C46 6.8(2) . . . . ? S9 Pt5 S10 C46 -178.6(2) . . . . ? N10 Pt5 S10 Ag1 -112.70(17) . . . . ? S9 Pt5 S10 Ag1 61.86(8) . . . . ? N10 Pt5 S10 Ag5 139.39(17) . . . . ? S9 Pt5 S10 Ag5 -46.05(9) . . . . ? S1 Ag1 S10 C46 -121.1(2) . . . . ? S3 Ag1 S10 C46 74.7(2) . . . . ? S1 Ag1 S10 Pt5 -4.95(11) . . . . ? S3 Ag1 S10 Pt5 -169.19(7) . . . . ? S1 Ag1 S10 Ag5 120.62(6) . . . . ? S3 Ag1 S10 Ag5 -43.62(7) . . . . ? S4 Ag5 S10 C46 -53.8(2) . . . . ? S11 Ag5 S10 C46 114.6(2) . . . . ? Cl1 Ag5 S10 C46 -150.3(2) . . . . ? S4 Ag5 S10 Pt5 -179.71(7) . . . . ? S11 Ag5 S10 Pt5 -11.40(10) . . . . ? Cl1 Ag5 S10 Pt5 83.71(8) . . . . ? S4 Ag5 S10 Ag1 56.58(8) . . . . ? S11 Ag5 S10 Ag1 -135.11(5) . . . . ? Cl1 Ag5 S10 Ag1 -40.00(5) . . . . ? N11 Pt6 S11 C51 13.1(2) . . . . ? S12 Pt6 S11 C51 -168.1(2) . . . . ? N11 Pt6 S11 Ag8 -107.28(17) . . . . ? S12 Pt6 S11 Ag8 71.48(8) . . . . ? N11 Pt6 S11 Ag5 131.80(17) . . . . ? S12 Pt6 S11 Ag5 -49.44(8) . . . . ? S8 Ag8 S11 C51 -147.34(19) . . . . ? S9 Ag8 S11 C51 86.8(2) . . . . ? O26 Ag8 S11 C51 -32.0(3) . . . . ? S8 Ag8 S11 Pt6 -33.62(9) . . . . ? S9 Ag8 S11 Pt6 -159.44(7) . . . . ? O26 Ag8 S11 Pt6 81.70(17) . . . . ? S8 Ag8 S11 Ag5 91.96(7) . . . . ? S9 Ag8 S11 Ag5 -33.86(8) . . . . ? O26 Ag8 S11 Ag5 -152.72(16) . . . . ? S4 Ag5 S11 C51 100.3(2) . . . . ? S10 Ag5 S11 C51 -68.4(2) . . . . ? Cl1 Ag5 S11 C51 -162.0(2) . . . . ? S4 Ag5 S11 Pt6 -10.86(10) . . . . ? S10 Ag5 S11 Pt6 -179.54(6) . . . . ? Cl1 Ag5 S11 Pt6 86.81(7) . . . . ? S4 Ag5 S11 Ag8 -139.09(7) . . . . ? S10 Ag5 S11 Ag8 52.23(8) . . . . ? Cl1 Ag5 S11 Ag8 -41.42(6) . . . . ? N12 Pt6 S12 C56 14.6(3) . . . . ? S11 Pt6 S12 C56 -167.0(2) . . . . ? N12 Pt6 S12 Ag7 134.9(2) . . . . ? S11 Pt6 S12 Ag7 -46.70(9) . . . . ? N12 Pt6 S12 Ag6 -107.9(2) . . . . ? S11 Pt6 S12 Ag6 70.48(9) . . . . ? S8 Ag7 S12 C56 102.5(3) . . . . ? S6 Ag7 S12 C56 -64.9(3) . . . . ? Cl1 Ag7 S12 C56 -161.5(2) . . . . ? S8 Ag7 S12 Pt6 -12.14(11) . . . . ? S6 Ag7 S12 Pt6 -179.58(7) . . . . ? Cl1 Ag7 S12 Pt6 83.87(9) . . . . ? S8 Ag7 S12 Ag6 -141.38(6) . . . . ? S6 Ag7 S12 Ag6 51.18(8) . . . . ? Cl1 Ag7 S12 Ag6 -45.37(6) . . . . ? S5 Ag6 S12 C56 83.1(3) . . . . ? S4 Ag6 S12 C56 -140.4(3) . . . . ? S5 Ag6 S12 Pt6 -160.35(8) . . . . ? S4 Ag6 S12 Pt6 -23.85(12) . . . . ? S5 Ag6 S12 Ag7 -32.10(9) . . . . ? S4 Ag6 S12 Ag7 104.40(7) . . . . ? O11 La1 O20 C48 39.8(8) 5_675 . . . ? O3 La1 O20 C48 -169.9(7) 4_655 . . . ? O32 La1 O20 C48 -118.7(8) . . . . ? O31 La1 O20 C48 169.4(8) . . . . ? O29 La1 O20 C48 -70.4(8) . . . . ? O30 La1 O20 C48 -21.0(8) . . . . ? O28 La1 O20 C48 96.3(8) . . . . ? O27 La1 O20 C48 48.8(8) . . . . ? C61 La1 O20 C48 70.5(8) . . . . ? N2 Pt1 N1 C2 -166.9(5) . . . . ? S1 Pt1 N1 C2 15.8(5) . . . . ? N1 Pt1 N2 C7 -176.7(4) . . . . ? S2 Pt1 N2 C7 10.2(4) . . . . ? N4 Pt2 N3 C12 -169.1(5) . . . . ? S3 Pt2 N3 C12 20.5(5) . . . . ? N3 Pt2 N4 C17 177.2(5) . . . . ? S4 Pt2 N4 C17 4.3(5) . . . . ? N6 Pt3 N5 C22 -166.4(6) . . . . ? S5 Pt3 N5 C22 16.1(5) . . . . ? N5 Pt3 N6 C27 -159.5(4) . . . . ? S6 Pt3 N6 C27 22.2(4) . . . . ? N8 Pt4 N7 C32 -161.4(4) . . . . ? S7 Pt4 N7 C32 18.6(4) . . . . ? N7 Pt4 N8 C37 178.5(5) . . . . ? S8 Pt4 N8 C37 2.9(5) . . . . ? N10 Pt5 N9 C42 -169.6(4) . . . . ? S9 Pt5 N9 C42 15.9(4) . . . . ? N9 Pt5 N10 C47 -164.8(4) . . . . ? S10 Pt5 N10 C47 18.6(4) . . . . ? N12 Pt6 N11 C52 -169.1(5) . . . . ? S11 Pt6 N11 C52 12.5(4) . . . . ? N11 Pt6 N12 C57 -160.8(6) . . . . ? S12 Pt6 N12 C57 20.5(5) . . . . ? Pt1 S1 C1 C4 89.9(5) . . . . ? Ag1 S1 C1 C4 -129.8(5) . . . . ? Ag4 S1 C1 C4 -33.6(6) . . . . ? Pt1 S1 C1 C2 -38.7(4) . . . . ? Ag1 S1 C1 C2 101.6(4) . . . . ? Ag4 S1 C1 C2 -162.2(3) . . . . ? Pt1 S1 C1 C5 -149.2(4) . . . . ? Ag1 S1 C1 C5 -8.8(5) . . . . ? Ag4 S1 C1 C5 87.3(4) . . . . ? Pt1 N1 C2 C3 -161.6(4) . . . . ? Pt1 N1 C2 C1 -43.6(6) . . . . ? C4 C1 C2 N1 -76.4(7) . . . . ? C5 C1 C2 N1 161.6(5) . . . . ? S1 C1 C2 N1 51.8(6) . . . . ? C4 C1 C2 C3 41.2(8) . . . . ? C5 C1 C2 C3 -80.8(6) . . . . ? S1 C1 C2 C3 169.4(5) . . . . ? N1 C2 C3 O1 17.3(10) . . . . ? C1 C2 C3 O1 -97.7(9) . . . . ? N1 C2 C3 O2 -153.7(6) . . . . ? C1 C2 C3 O2 91.3(7) . . . . ? Pt1 S2 C6 C10 -158.3(4) . . . . ? Ag3 S2 C6 C10 -25.7(5) . . . . ? Ag2 S2 C6 C10 71.4(5) . . . . ? Pt1 S2 C6 C9 80.6(4) . . . . ? Ag3 S2 C6 C9 -146.8(4) . . . . ? Ag2 S2 C6 C9 -49.7(5) . . . . ? Pt1 S2 C6 C7 -40.1(4) . . . . ? Ag3 S2 C6 C7 92.6(4) . . . . ? Ag2 S2 C6 C7 -170.4(3) . . . . ? Pt1 N2 C7 C8 -158.9(4) . . . . ? Pt1 N2 C7 C6 -40.3(6) . . . . ? C10 C6 C7 N2 165.0(5) . . . . ? C9 C6 C7 N2 -65.2(7) . . . . ? S2 C6 C7 N2 52.4(6) . . . . ? C10 C6 C7 C8 -83.0(7) . . . . ? C9 C6 C7 C8 46.8(8) . . . . ? S2 C6 C7 C8 164.4(5) . . . . ? La1 O3 C8 O4 -26.4(16) 4_645 . . . ? La1 O3 C8 C7 156.5(7) 4_645 . . . ? N2 C7 C8 O3 7.8(11) . . . . ? C6 C7 C8 O3 -109.8(9) . . . . ? N2 C7 C8 O4 -169.8(6) . . . . ? C6 C7 C8 O4 72.6(7) . . . . ? Pt2 S3 C11 C15 -160.3(4) . . . . ? Ag1 S3 C11 C15 -33.3(5) . . . . ? Ag2 S3 C11 C15 68.3(5) . . . . ? Pt2 S3 C11 C12 -38.5(5) . . . . ? Ag1 S3 C11 C12 88.5(5) . . . . ? Ag2 S3 C11 C12 -169.9(4) . . . . ? Pt2 S3 C11 C14 84.5(5) . . . . ? Ag1 S3 C11 C14 -148.5(4) . . . . ? Ag2 S3 C11 C14 -46.9(5) . . . . ? Pt2 N3 C12 C11 -54.2(7) . . . . ? Pt2 N3 C12 C13 -165.8(5) . . . . ? C15 C11 C12 N3 176.8(6) . . . . ? C14 C11 C12 N3 -52.7(8) . . . . ? S3 C11 C12 N3 61.4(6) . . . . ? C15 C11 C12 C13 -71.2(8) . . . . ? C14 C11 C12 C13 59.3(8) . . . . ? S3 C11 C12 C13 173.4(5) . . . . ? N3 C12 C13 O5 13.2(11) . . . . ? C11 C12 C13 O5 -102.5(9) . . . . ? N3 C12 C13 O6 -159.8(7) . . . . ? C11 C12 C13 O6 84.5(8) . . . . ? Pt2 S4 C16 C17 -42.5(5) . . . . ? Ag5 S4 C16 C17 -160.6(4) . . . . ? Ag6 S4 C16 C17 87.1(5) . . . . ? Pt2 S4 C16 C19 78.0(6) . . . . ? Ag5 S4 C16 C19 -40.1(6) . . . . ? Ag6 S4 C16 C19 -152.5(5) . . . . ? Pt2 S4 C16 C20 -162.6(4) . . . . ? Ag5 S4 C16 C20 79.3(4) . . . . ? Ag6 S4 C16 C20 -33.0(5) . . . . ? Pt2 N4 C17 C16 -32.7(7) . . . . ? Pt2 N4 C17 C18 -162.6(5) . . . . ? C19 C16 C17 N4 -71.5(7) . . . . ? C20 C16 C17 N4 167.6(5) . . . . ? S4 C16 C17 N4 50.1(6) . . . . ? C19 C16 C17 C18 52.9(8) . . . . ? C20 C16 C17 C18 -67.9(7) . . . . ? S4 C16 C17 C18 174.5(5) . . . . ? La2 O8 C18 O7 -37.1(11) . . . . ? La2 O8 C18 C17 164.6(5) . . . . ? La4 O7 C18 O8 25.7(12) . . . . ? La4 O7 C18 C17 -175.1(5) . . . . ? La4 O7 C18 La2 5.1(7) . . . . ? N4 C17 C18 O8 -163.5(7) . . . . ? C16 C17 C18 O8 72.4(9) . . . . ? N4 C17 C18 O7 37.1(9) . . . . ? C16 C17 C18 O7 -87.1(8) . . . . ? N4 C17 C18 La2 -143.4(9) . . . . ? C16 C17 C18 La2 92.5(12) . . . . ? Pt3 S5 C21 C24 78.5(5) . . . . ? Ag6 S5 C21 C24 -155.8(4) . . . . ? Ag2 S5 C21 C24 -42.7(5) . . . . ? Pt3 S5 C21 C22 -40.1(5) . . . . ? Ag6 S5 C21 C22 85.6(5) . . . . ? Ag2 S5 C21 C22 -161.3(5) . . . . ? Pt3 S5 C21 C25 -161.4(4) . . . . ? Ag6 S5 C21 C25 -35.7(5) . . . . ? Ag2 S5 C21 C25 77.4(4) . . . . ? Pt3 N5 C22 C21 -48.5(8) . . . . ? Pt3 N5 C22 C23 -171.7(5) . . . . ? C24 C21 C22 N5 -61.4(8) . . . . ? C25 C21 C22 N5 172.1(6) . . . . ? S5 C21 C22 N5 58.3(7) . . . . ? C24 C21 C22 C23 56.9(9) . . . . ? C25 C21 C22 C23 -69.7(9) . . . . ? S5 C21 C22 C23 176.6(6) . . . . ? La6 O9 C23 O10 8.3(12) . . . . ? La6 O9 C23 C22 -178.8(6) . . . . ? N5 C22 C23 O10 -157.8(9) . . . . ? C21 C22 C23 O10 81.5(11) . . . . ? N5 C22 C23 O9 29.7(12) . . . . ? C21 C22 C23 O9 -91.0(10) . . . . ? Pt3 S6 C26 C30 -151.2(4) . . . . ? Ag3 S6 C26 C30 -24.0(5) . . . . ? Ag7 S6 C26 C30 76.0(4) . . . . ? Pt3 S6 C26 C27 -31.2(4) . . . . ? Ag3 S6 C26 C27 96.0(4) . . . . ? Ag7 S6 C26 C27 -163.9(3) . . . . ? Pt3 S6 C26 C29 85.2(4) . . . . ? Ag3 S6 C26 C29 -147.7(4) . . . . ? Ag7 S6 C26 C29 -47.6(5) . . . . ? Pt3 N6 C27 C26 -51.5(5) . . . . ? Pt3 N6 C27 C28 -176.5(4) . . . . ? C30 C26 C27 N6 169.3(5) . . . . ? C29 C26 C27 N6 -64.3(6) . . . . ? S6 C26 C27 N6 52.9(5) . . . . ? C30 C26 C27 C28 -70.7(7) . . . . ? C29 C26 C27 C28 55.7(7) . . . . ? S6 C26 C27 C28 172.9(4) . . . . ? La1 O11 C28 O12 82.2(9) 5_765 . . . ? La1 O11 C28 C27 -93.3(8) 5_765 . . . ? N6 C27 C28 O11 11.8(8) . . . . ? C26 C27 C28 O11 -111.6(7) . . . . ? N6 C27 C28 O12 -164.2(5) . . . . ? C26 C27 C28 O12 72.3(7) . . . . ? Pt4 S7 C31 C34 79.8(5) . . . . ? Ag3 S7 C31 C34 -146.3(4) . . . . ? Ag4 S7 C31 C34 -39.6(5) . . . . ? Pt4 S7 C31 C35 -156.2(4) . . . . ? Ag3 S7 C31 C35 -22.3(5) . . . . ? Ag4 S7 C31 C35 84.5(4) . . . . ? Pt4 S7 C31 C32 -38.7(4) . . . . ? Ag3 S7 C31 C32 95.1(4) . . . . ? Ag4 S7 C31 C32 -158.1(3) . . . . ? Pt4 N7 C32 C33 -173.1(4) . . . . ? Pt4 N7 C32 C31 -50.1(6) . . . . ? C34 C31 C32 N7 -59.1(7) . . . . ? C35 C31 C32 N7 171.6(5) . . . . ? S7 C31 C32 N7 57.2(5) . . . . ? C34 C31 C32 C33 61.9(7) . . . . ? C35 C31 C32 C33 -67.5(7) . . . . ? S7 C31 C32 C33 178.2(4) . . . . ? N7 C32 C33 O13 21.7(8) . . . . ? C31 C32 C33 O13 -98.7(7) . . . . ? N7 C32 C33 O14 -156.5(5) . . . . ? C31 C32 C33 O14 83.0(6) . . . . ? Pt4 S8 C36 C39 75.8(5) . . . . ? Ag8 S8 C36 C39 -156.0(5) . . . . ? Ag7 S8 C36 C39 -45.2(6) . . . . ? Pt4 S8 C36 C40 -157.4(5) . . . . ? Ag8 S8 C36 C40 -29.2(6) . . . . ? Ag7 S8 C36 C40 81.6(5) . . . . ? Pt4 S8 C36 C37 -40.7(5) . . . . ? Ag8 S8 C36 C37 87.5(5) . . . . ? Ag7 S8 C36 C37 -161.8(4) . . . . ? C39 C36 C37 C38 54.7(8) . . . . ? C40 C36 C37 C38 -70.6(8) . . . . ? S8 C36 C37 C38 174.2(6) . . . . ? C39 C36 C37 N8 -71.6(7) . . . . ? C40 C36 C37 N8 163.0(6) . . . . ? S8 C36 C37 N8 47.8(7) . . . . ? Pt4 N8 C37 C36 -32.6(7) . . . . ? Pt4 N8 C37 C38 -164.9(5) . . . . ? C36 C37 C38 O16 73.9(12) . . . . ? N8 C37 C38 O16 -156.9(8) . . . . ? C36 C37 C38 O15 -95.5(9) . . . . ? N8 C37 C38 O15 33.8(10) . . . . ? Pt5 S9 C41 C42 -38.9(4) . . . . ? Ag8 S9 C41 C42 88.9(4) . . . . ? Ag4 S9 C41 C42 -158.6(4) . . . . ? Pt5 S9 C41 C45 -164.0(4) . . . . ? Ag8 S9 C41 C45 -36.2(5) . . . . ? Ag4 S9 C41 C45 76.3(5) . . . . ? Pt5 S9 C41 C44 79.4(4) . . . . ? Ag8 S9 C41 C44 -152.8(3) . . . . ? Ag4 S9 C41 C44 -40.3(4) . . . . ? C45 C41 C42 N9 -179.8(5) . . . . ? C44 C41 C42 N9 -58.6(6) . . . . ? S9 C41 C42 N9 55.1(5) . . . . ? C45 C41 C42 C43 -60.1(8) . . . . ? C44 C41 C42 C43 61.2(7) . . . . ? S9 C41 C42 C43 174.9(5) . . . . ? Pt5 N9 C42 C41 -46.7(6) . . . . ? Pt5 N9 C42 C43 -168.4(4) . . . . ? C41 C42 C43 O17 -88.4(9) . . . . ? N9 C42 C43 O17 31.7(9) . . . . ? C41 C42 C43 O18 89.3(7) . . . . ? N9 C42 C43 O18 -150.6(6) . . . . ? Pt5 S10 C46 C47 -30.7(4) . . . . ? Ag1 S10 C46 C47 95.9(4) . . . . ? Ag5 S10 C46 C47 -165.7(3) . . . . ? Pt5 S10 C46 C50 -155.5(4) . . . . ? Ag1 S10 C46 C50 -28.9(4) . . . . ? Ag5 S10 C46 C50 69.6(4) . . . . ? Pt5 S10 C46 C49 84.7(4) . . . . ? Ag1 S10 C46 C49 -148.6(3) . . . . ? Ag5 S10 C46 C49 -50.2(4) . . . . ? C50 C46 C47 N10 165.5(5) . . . . ? C49 C46 C47 N10 -65.9(6) . . . . ? S10 C46 C47 N10 48.1(6) . . . . ? C50 C46 C47 C48 -63.4(7) . . . . ? C49 C46 C47 C48 65.2(6) . . . . ? S10 C46 C47 C48 179.2(4) . . . . ? Pt5 N10 C47 C46 -46.3(6) . . . . ? Pt5 N10 C47 C48 -175.0(4) . . . . ? La1 O20 C48 O19 15.1(12) . . . . ? La1 O20 C48 C47 -170.2(4) . . . . ? C46 C47 C48 O20 71.2(8) . . . . ? N10 C47 C48 O20 -159.6(6) . . . . ? C46 C47 C48 O19 -113.6(7) . . . . ? N10 C47 C48 O19 15.5(8) . . . . ? Pt6 S11 C51 C54 86.1(4) . . . . ? Ag8 S11 C51 C54 -149.5(4) . . . . ? Ag5 S11 C51 C54 -33.5(5) . . . . ? Pt6 S11 C51 C52 -36.1(4) . . . . ? Ag8 S11 C51 C52 88.4(4) . . . . ? Ag5 S11 C51 C52 -155.7(4) . . . . ? Pt6 S11 C51 C55 -157.5(4) . . . . ? Ag8 S11 C51 C55 -33.1(5) . . . . ? Ag5 S11 C51 C55 82.9(5) . . . . ? Pt6 N11 C52 C51 -39.9(6) . . . . ? Pt6 N11 C52 C53 -160.8(4) . . . . ? C54 C51 C52 N11 -71.7(7) . . . . ? C55 C51 C52 N11 164.1(6) . . . . ? S11 C51 C52 N11 48.4(6) . . . . ? C54 C51 C52 C53 49.1(8) . . . . ? C55 C51 C52 C53 -75.1(7) . . . . ? S11 C51 C52 C53 169.2(5) . . . . ? N11 C52 C53 O21 23.4(8) . . . . ? C51 C52 C53 O21 -96.8(7) . . . . ? N11 C52 C53 O22 -160.1(5) . . . . ? C51 C52 C53 O22 79.6(7) . . . . ? Pt6 S12 C56 C59 82.9(6) . . . . ? Ag7 S12 C56 C59 -43.0(6) . . . . ? Ag6 S12 C56 C59 -149.0(5) . . . . ? Pt6 S12 C56 C60 -155.7(5) . . . . ? Ag7 S12 C56 C60 78.4(6) . . . . ? Ag6 S12 C56 C60 -27.5(6) . . . . ? Pt6 S12 C56 C57 -45.4(4) . . . . ? Ag7 S12 C56 C57 -171.4(3) . . . . ? Ag6 S12 C56 C57 82.7(4) . . . . ? Pt6 N12 C57 C58 -171.9(6) . . . . ? Pt6 N12 C57 C56 -51.7(6) . . . . ? C59 C56 C57 N12 -67.5(7) . . . . ? C60 C56 C57 N12 174.0(5) . . . . ? S12 C56 C57 N12 59.2(5) . . . . ? C59 C56 C57 C58 57.8(8) . . . . ? C60 C56 C57 C58 -60.7(7) . . . . ? S12 C56 C57 C58 -175.5(4) . . . . ? La5 O24 C58 O23 50.4(11) . . . . ? La5 O24 C58 C57 -126.5(9) . . . . ? N12 C57 C58 O24 -172.8(10) . . . . ? C56 C57 C58 O24 73.4(12) . . . . ? N12 C57 C58 O23 10.0(10) . . . . ? C56 C57 C58 O23 -103.8(7) . . . . ? O11 La1 O27 C61 -95.4(6) 5_675 . . . ? O3 La1 O27 C61 -55.1(7) 4_655 . . . ? O32 La1 O27 C61 108.3(7) . . . . ? O31 La1 O27 C61 29.8(7) . . . . ? O20 La1 O27 C61 90.8(6) . . . . ? O29 La1 O27 C61 -152.4(6) . . . . ? O30 La1 O27 C61 170.3(7) . . . . ? O28 La1 O27 C61 0.7(6) . . . . ? O11 La1 O28 C61 69.8(5) 5_675 . . . ? O3 La1 O28 C61 143.2(5) 4_655 . . . ? O32 La1 O28 C61 -122.0(6) . . . . ? O31 La1 O28 C61 -151.6(6) . . . . ? O20 La1 O28 C61 -76.6(5) . . . . ? O29 La1 O28 C61 73.4(7) . . . . ? O30 La1 O28 C61 -10.7(6) . . . . ? O27 La1 O28 C61 -0.5(5) . . . . ? La1 O27 C61 O28 -1.0(10) . . . . ? La1 O27 C61 C62 -179.4(8) . . . . ? La1 O28 C61 O27 1.0(9) . . . . ? La1 O28 C61 C62 179.1(10) . . . . ? O11 La1 C61 O27 77.2(6) 5_675 . . . ? O3 La1 C61 O27 137.5(6) 4_655 . . . ? O32 La1 C61 O27 -95.8(7) . . . . ? O31 La1 C61 O27 -152.3(6) . . . . ? O20 La1 C61 O27 -82.4(6) . . . . ? O29 La1 C61 O27 38.2(8) . . . . ? O30 La1 C61 O27 -8.9(6) . . . . ? O28 La1 C61 O27 -178.9(10) . . . . ? O11 La1 C61 O28 -103.9(6) 5_675 . . . ? O3 La1 C61 O28 -43.6(6) 4_655 . . . ? O32 La1 C61 O28 83.1(7) . . . . ? O31 La1 C61 O28 26.6(6) . . . . ? O20 La1 C61 O28 96.5(5) . . . . ? O29 La1 C61 O28 -142.9(5) . . . . ? O30 La1 C61 O28 170.0(5) . . . . ? O27 La1 C61 O28 178.9(10) . . . . ? C18 O8 La2 O53 -22.7(7) . . . . ? C18 O8 La2 O51 124.5(7) . . . . ? O7 C18 La2 O8 148.9(9) . . . . ? C17 C18 La2 O8 -30.7(9) . . . . ? O8 C18 La2 O53 157.9(7) . . . . ? O7 C18 La2 O53 -53.2(6) . . . . ? C17 C18 La2 O53 127.2(11) . . . . ? O8 C18 La2 O51 -48.8(6) . . . . ? O7 C18 La2 O51 100.1(5) . . . . ? C17 C18 La2 O51 -79.5(10) . . . . ? C18 O7 La4 O53 37.4(8) . . . . ? C18 O7 La4 La4 7.6(10) . . . 5_775 ? C58 O24 La5 O44 108.6(8) . . . . ? C58 O24 La5 La6 -25.7(7) . . . 8_645 ? C23 O9 La6 La3 -4(3) . . . 7_564 ? C23 O9 La6 O46 36.6(8) . . . 3_565 ? C23 O9 La6 La3 17.8(11) . . . 3_565 ? C23 O9 La6 La5 -156.4(7) . . . 7_564 ? O8 La2 O53 La2 114.3(2) . . . 5_775 ? O51 La2 O53 La2 55.6(6) . . . 5_775 ? C18 La2 O53 La2 106.43(16) . . . 5_775 ? O8 La2 O53 La4 149.6(3) . . . 5_775 ? O51 La2 O53 La4 90.9(6) . . . 5_775 ? C18 La2 O53 La4 141.7(3) . . . 5_775 ? O8 La2 O53 La4 79.2(4) . . . . ? O51 La2 O53 La4 20.5(7) . . . . ? C18 La2 O53 La4 71.3(3) . . . . ? O7 La4 O53 La2 119.9(3) . . . 5_775 ? La4 La4 O53 La2 -89.8(4) 5_775 . . 5_775 ? O7 La4 O53 La2 -66.4(3) . . . . ? La4 La4 O53 La2 83.9(4) 5_775 . . . ? O7 La4 O53 La4 -150.3(5) . . . 5_775 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A N1 H1 O34 0.92 2.07 2.950(8) 160.3 . N1 H1A O13 0.92 2.25 3.039(7) 143.3 5_665 N2 H2 O13 0.92 2.33 3.158(7) 150.0 5_665 N2 H2A O34 0.92 2.37 3.155(8) 143.1 . N3 H3 O50 0.92 2.21 3.085(15) 159.7 . N3 H3A O15 0.92 2.15 2.888(9) 137.0 7_564 N4 H4 O15 0.92 2.21 3.010(8) 145.7 7_564 N4 H4A O7 0.92 2.25 2.709(9) 110.3 . N5 H5 O22 0.92 2.30 3.029(7) 136.3 3_565 N5 H5A O36 0.92 2.39 3.267(8) 158.3 5_765 N6 H6 O27 0.92 2.34 3.123(8) 142.4 5_765 N6 H6 O30 0.92 2.34 2.990(7) 127.7 5_765 N6 H6A O33 0.92 2.19 3.079(7) 161.4 3_565 N7 H7 O5 0.92 1.88 2.689(8) 145.5 8_645 N7 H7A O1 0.92 2.43 3.278(8) 153.1 5_665 N8 H8 O38 0.92 2.33 3.143(11) 147.2 5_665 N8 H8A O5 0.92 2.21 2.979(8) 140.7 8_645 N9 H9 O24 0.92 2.38 3.060(8) 131.0 3_465 N9 H9 O23 0.92 2.38 3.211(8) 149.9 3_465 N4 H4A O50 0.92 2.69 3.506(15) 148.8 . _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 24.50 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.525 _refine_diff_density_min -1.526 _refine_diff_density_rms 0.182 _publ_section_references ; Wakita, K. (2001). Yadokari-XG. Software for Crystal Structure Analyses. \nRelease of Software (Yadokari-XG 2009) for Crystal Structure Analyses, \nKabuto, C., Akine, S., Nemoto, T. & Kwon, E. (2009). \nJ. Cryst. Soc. Jpn. 51, 218-224. ; _chemical_absolute_configuration rm #==END data_La2[6]Cl.HCl _database_code_depnum_ccdc_archive 'CCDC 825636' #TrackingRef '- konno.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C60 H171 Cl3 Cu8 La2 N12 O55 Pd6 S12' _chemical_formula_weight 3856.70 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' C C 0.0033 0.0016 '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' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21 1' _symmetry_space_group_name_Hall 'P 2yb' _symmetry_Int_Tables_number 4 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 15.319(3) _cell_length_b 20.976(4) _cell_length_c 23.667(5) _cell_angle_alpha 90.00 _cell_angle_beta 105.245(7) _cell_angle_gamma 90.00 _cell_volume 7337(2) _cell_formula_units_Z 2 _cell_measurement_temperature 200(2) _cell_measurement_reflns_used 31105 _cell_measurement_theta_min 3.0 _cell_measurement_theta_max 27.5 _exptl_crystal_description platelet _exptl_crystal_colour dark-brown _exptl_crystal_size_max 0.08 _exptl_crystal_size_mid 0.06 _exptl_crystal_size_min 0.02 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.746 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3840 _exptl_absorpt_coefficient_mu 2.716 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; Higashi, T. (1995). Program for Absorption Correction. Rigaku Corporation, Tokyo, Japan. ; _exptl_absorpt_correction_T_min 0.282 _exptl_absorpt_correction_T_max 0.764 _exptl_special_details ; ? ; _diffrn_ambient_temperature 200(2) _diffrn_radiation_wavelength 0.71075 _diffrn_radiation_type MoK\a _diffrn_radiation_source ? _diffrn_radiation_monochromator ? _diffrn_measurement_device_type 'Rigaku RAXIS-RAPID' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 10.00 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 58926 _diffrn_reflns_av_R_equivalents 0.0747 _diffrn_reflns_av_sigmaI/netI 0.1126 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -27 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_theta_min 3.02 _diffrn_reflns_theta_max 27.41 _reflns_number_total 30709 _reflns_number_gt 21782 _reflns_threshold_expression >2sigma(I) _computing_data_collection PROCESS-AUTO _computing_cell_refinement PROCESS-AUTO _computing_data_reduction CrystalStructure _computing_structure_solution SIR92 _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)' _computing_publication_material ;Yadokari-XG 2009 (Wakita,Nemoto et al., 2009) ; _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^)+(0.1702P)^2^+10.1727P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.00(2) _refine_ls_number_reflns 30709 _refine_ls_number_parameters 1342 _refine_ls_number_restraints 34 _refine_ls_R_factor_all 0.1207 _refine_ls_R_factor_gt 0.0894 _refine_ls_wR_factor_ref 0.2701 _refine_ls_wR_factor_gt 0.2380 _refine_ls_goodness_of_fit_ref 1.038 _refine_ls_restrained_S_all 1.038 _refine_ls_shift/su_max 0.006 _refine_ls_shift/su_mean 0.001 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 La1 La 0.00322(3) 0.21267(3) 0.96999(2) 0.09643(18) Uani 1 1 d . . . La2 La 0.29078(3) 0.043512(15) 0.744708(16) 0.06681(11) Uani 1 1 d . . . Pd1 Pd 0.115346(19) 0.401538(14) 0.801766(14) 0.02873(8) Uani 1 1 d . . . Pd2 Pd 0.541724(18) 0.360838(13) 0.815029(13) 0.02385(7) Uani 1 1 d . . . Pd3 Pd 0.41268(2) 0.574853(16) 0.996144(13) 0.02990(8) Uani 1 1 d . . . Pd4 Pd 0.151435(19) 0.718702(14) 0.759591(15) 0.02909(8) Uani 1 1 d . . . Pd5 Pd 0.27974(2) 0.50645(2) 0.588158(14) 0.04196(10) Uani 1 1 d . . . Pd6 Pd 0.59142(2) 0.678106(15) 0.778650(18) 0.04049(10) Uani 1 1 d . . . Cu1 Cu 0.21280(3) 0.56942(2) 0.85679(2) 0.03025(13) Uani 1 1 d . . . Cu2 Cu 0.17681(3) 0.54059(2) 0.71475(2) 0.03117(13) Uani 1 1 d . . . Cu3 Cu 0.29705(4) 0.38287(3) 0.71599(2) 0.03571(15) Uani 1 1 d . . . Cu4 Cu 0.36407(3) 0.44612(2) 0.87261(2) 0.02834(13) Uani 1 1 d . . . Cu5 Cu 0.38808(3) 0.65750(3) 0.84509(2) 0.03380(14) Uani 1 1 d . . . Cu6 Cu 0.34415(4) 0.64613(3) 0.69945(3) 0.0539(2) Uani 1 1 d . . . Cu7 Cu 0.47178(3) 0.51517(2) 0.72789(2) 0.03169(14) Uani 1 1 d . . . Cu8 Cu 0.53222(3) 0.53830(2) 0.87237(2) 0.03095(13) Uani 1 1 d . . . Cl1 Cl 0.35192(6) 0.54284(5) 0.79200(4) 0.0255(2) Uani 1 1 d . . . Cl2 Cl 0.26543(9) 0.28064(6) 0.66901(6) 0.0512(4) Uani 1 1 d . . . S1 S 0.21295(6) 0.46242(5) 0.87023(4) 0.0255(2) Uani 1 1 d . . . S2 S 0.16252(7) 0.43258(5) 0.72148(4) 0.0290(3) Uani 1 1 d . . . S3 S 0.39104(6) 0.36918(4) 0.81099(4) 0.0234(2) Uani 1 1 d . . . S4 S 0.56765(6) 0.46735(4) 0.80837(4) 0.0233(2) Uani 1 1 d . . . S5 S 0.46939(6) 0.50153(5) 0.94338(4) 0.0250(2) Uani 1 1 d . . . S6 S 0.32273(6) 0.62723(5) 0.91781(4) 0.0288(3) Uani 1 1 d . . . S7 S 0.12833(6) 0.61262(4) 0.77264(4) 0.0249(2) Uani 1 1 d . . . S8 S 0.30284(6) 0.71086(5) 0.76463(5) 0.0312(3) Uani 1 1 d . . . S9 S 0.37205(7) 0.45033(5) 0.66389(4) 0.0315(3) Uani 1 1 d . . . S10 S 0.23539(7) 0.58322(5) 0.64285(4) 0.0321(3) Uani 1 1 d . . . S11 S 0.54163(6) 0.64528(5) 0.85657(5) 0.0291(3) Uani 1 1 d . . . S12 S 0.48988(7) 0.62175(5) 0.70877(5) 0.0338(3) Uani 1 1 d . . . O1 O 0.0434(3) 0.3275(3) 0.9661(2) 0.0989(15) Uani 1 1 d U . . O2 O 0.0437(2) 0.4189(2) 1.01092(16) 0.0718(13) Uani 1 1 d . . . O3 O -0.1066(3) 0.2981(2) 0.6562(2) 0.0928(16) Uani 1 1 d . . . O4 O -0.0146(3) 0.2726(2) 0.5982(2) 0.0988(15) Uani 1 1 d . . . O5 O 0.4786(2) 0.15219(14) 0.86859(15) 0.0471(10) Uani 1 1 d . . . O6 O 0.3572(3) 0.14070(15) 0.79461(19) 0.0619(13) Uani 1 1 d . . . O7 O 0.8526(2) 0.3559(2) 0.81439(17) 0.0657(12) Uani 1 1 d . . . O8 O 0.8878(2) 0.4376(2) 0.8756(2) 0.0733(16) Uani 1 1 d . . . O9 O 0.6388(2) 0.49774(17) 1.15553(14) 0.0482(10) Uani 1 1 d . . . O10 O 0.7317(3) 0.4810(4) 1.10176(17) 0.107(2) Uani 1 1 d . . . O11 O 0.3060(2) 0.74634(18) 1.08993(15) 0.0547(11) Uani 1 1 d . . . O12 O 0.1649(2) 0.7394(2) 1.03936(18) 0.0682(13) Uani 1 1 d . . . O13 O -0.16313(19) 0.71436(19) 0.75771(18) 0.0587(12) Uani 1 1 d . . . O14 O -0.1339(2) 0.6620(2) 0.8387(2) 0.0701(14) Uani 1 1 d . . . O15 O 0.2151(3) 0.93643(17) 0.7548(2) 0.0725(15) Uani 1 1 d . . . O16 O 0.3149(3) 0.92785(19) 0.7038(2) 0.0818(14) Uani 1 1 d . . . O17 O 0.3990(4) 0.3591(3) 0.47988(19) 0.122(2) Uani 1 1 d . . . O18 O 0.4071(4) 0.2806(2) 0.53607(19) 0.1075(17) Uani 1 1 d . . . O19 O 0.0747(4) 0.6253(3) 0.4399(2) 0.100(2) Uani 1 1 d . . . O20 O 0.1332(3) 0.7191(3) 0.4751(2) 0.0920(18) Uani 1 1 d . . . O21 O 0.8076(3) 0.7836(2) 0.9263(2) 0.1000(18) Uani 1 1 d DU . . O22 O 0.8227(4) 0.7068(2) 0.9873(2) 0.112(2) Uani 1 1 d DU . . O23A O 0.6866(5) 0.7543(4) 0.6224(3) 0.061(2) Uiso 0.50 1 d P A 1 O24A O 0.5372(6) 0.7815(4) 0.5783(4) 0.067(2) Uiso 0.50 1 d P A 1 H110 H 0.5579 0.8029 0.5548 0.101 Uiso 0.50 1 calc PR A 1 O23B O 0.6857(4) 0.7270(3) 0.6039(3) 0.0459(16) Uiso 0.50 1 d P B 2 O24B O 0.5452(5) 0.7227(4) 0.5431(3) 0.0548(18) Uiso 0.50 1 d P B 2 H111 H 0.5716 0.7270 0.5165 0.082 Uiso 0.50 1 calc PR B 2 N1 N 0.0629(2) 0.37534(16) 0.87005(17) 0.0351(10) Uani 1 1 d . . . H1 H 0.0010 0.3730 0.8562 0.042 Uiso 1 1 calc R . . H2 H 0.0835 0.3351 0.8820 0.042 Uiso 1 1 calc R . . N2 N 0.0279(2) 0.3398(2) 0.7423(2) 0.0486(13) Uani 1 1 d . . . H3 H 0.0294 0.3004 0.7597 0.058 Uiso 1 1 calc R . . H4 H -0.0301 0.3551 0.7356 0.058 Uiso 1 1 calc R . . N3 N 0.5216(2) 0.26259(15) 0.81606(15) 0.0315(10) Uani 1 1 d . . . H5 H 0.5445 0.2444 0.7876 0.038 Uiso 1 1 calc R . . H6 H 0.5545 0.2470 0.8516 0.038 Uiso 1 1 calc R . . N4 N 0.6795(2) 0.35038(16) 0.82452(15) 0.0318(9) Uani 1 1 d . . . H7 H 0.7004 0.3171 0.8497 0.038 Uiso 1 1 calc R . . H8 H 0.6885 0.3398 0.7888 0.038 Uiso 1 1 calc R . . N5 N 0.5084(2) 0.53819(17) 1.06866(13) 0.0317(9) Uani 1 1 d . . . H9 H 0.5277 0.5700 1.0958 0.038 Uiso 1 1 calc R . . H10 H 0.4823 0.5067 1.0858 0.038 Uiso 1 1 calc R . . N6 N 0.3548(2) 0.63556(18) 1.04725(16) 0.0372(10) Uani 1 1 d . . . H11 H 0.3410 0.6119 1.0765 0.045 Uiso 1 1 calc R . . H12 H 0.3969 0.6656 1.0648 0.045 Uiso 1 1 calc R . . N7 N 0.0177(2) 0.73136(15) 0.76362(18) 0.0365(11) Uani 1 1 d . . . H13 H 0.0132 0.7685 0.7834 0.044 Uiso 1 1 calc R . . H14 H -0.0197 0.7348 0.7263 0.044 Uiso 1 1 calc R . . N8 N 0.1684(2) 0.81375(16) 0.74343(18) 0.0367(11) Uani 1 1 d . . . H15 H 0.1164 0.8281 0.7174 0.044 Uiso 1 1 calc R . . H16 H 0.1747 0.8358 0.7778 0.044 Uiso 1 1 calc R . . N9 N 0.3118(3) 0.4356(3) 0.53489(17) 0.0652(15) Uani 1 1 d . . . H17 H 0.2596 0.4232 0.5079 0.078 Uiso 1 1 calc R . . H18 H 0.3499 0.4527 0.5146 0.078 Uiso 1 1 calc R . . N10 N 0.2103(3) 0.5592(3) 0.5187(2) 0.0742(18) Uani 1 1 d . . . H19 H 0.2439 0.5610 0.4918 0.089 Uiso 1 1 calc R . . H20 H 0.1574 0.5381 0.5014 0.089 Uiso 1 1 calc R . . N11 N 0.6975(3) 0.7210(2) 0.8384(2) 0.0548(12) Uani 1 1 d U . . H21 H 0.7496 0.7157 0.8266 0.066 Uiso 1 1 calc R . . H22 H 0.6865 0.7640 0.8395 0.066 Uiso 1 1 calc R . . N12 N 0.6302(3) 0.7190(2) 0.7093(2) 0.0699(14) Uani 1 1 d . . . H23 H 0.6420 0.7615 0.7171 0.084 Uiso 1 1 calc R . . H24 H 0.6830 0.7001 0.7063 0.084 Uiso 1 1 calc R . . C1 C 0.1845(3) 0.4335(2) 0.93911(18) 0.0372(12) Uani 1 1 d . . . C2 C 0.0836(3) 0.4157(2) 0.9193(2) 0.0400(12) Uani 1 1 d . . . H25 H 0.0478 0.4558 0.9089 0.048 Uiso 1 1 calc R . . C3 C 0.0571(3) 0.3842(3) 0.9718(3) 0.0727(18) Uani 1 1 d . . . C4 C 0.2432(3) 0.3805(3) 0.9659(2) 0.0534(16) Uani 1 1 d . . . H26 H 0.2178 0.3596 0.9951 0.080 Uiso 1 1 calc R . . H27 H 0.3037 0.3968 0.9850 0.080 Uiso 1 1 calc R . . H28 H 0.2472 0.3497 0.9356 0.080 Uiso 1 1 calc R . . C5 C 0.2012(3) 0.4922(3) 0.9818(2) 0.0580(18) Uani 1 1 d . . . H29 H 0.1864 0.5316 0.9591 0.087 Uiso 1 1 calc R . . H30 H 0.2649 0.4931 1.0041 0.087 Uiso 1 1 calc R . . H31 H 0.1629 0.4885 1.0089 0.087 Uiso 1 1 calc R . . C6 C 0.0638(4) 0.3981(2) 0.6638(2) 0.0603(17) Uani 1 1 d . . . C7 C 0.0483(3) 0.3314(2) 0.6861(2) 0.0390(13) Uani 1 1 d . . . H32 H 0.1036 0.3045 0.6907 0.047 Uiso 1 1 calc R . . C8 C -0.0327(4) 0.3007(3) 0.6423(3) 0.0619(18) Uani 1 1 d . . . C9 C -0.0211(3) 0.4441(2) 0.6576(2) 0.0416(14) Uani 1 1 d . . . H33 H -0.0615 0.4403 0.6181 0.062 Uiso 1 1 calc R . . H34 H -0.0001 0.4883 0.6645 0.062 Uiso 1 1 calc R . . H35 H -0.0537 0.4321 0.6865 0.062 Uiso 1 1 calc R . . C10 C 0.0932(3) 0.3995(3) 0.6054(2) 0.0531(15) Uani 1 1 d . . . H36 H 0.0687 0.3621 0.5818 0.080 Uiso 1 1 calc R . . H37 H 0.1593 0.3991 0.6143 0.080 Uiso 1 1 calc R . . H38 H 0.0698 0.4383 0.5836 0.080 Uiso 1 1 calc R . . C11 C 0.3771(3) 0.28559(19) 0.83844(17) 0.0283(11) Uani 1 1 d . . . C12 C 0.4277(2) 0.24203(19) 0.80661(19) 0.0295(11) Uani 1 1 d . . . H39 H 0.3979 0.2455 0.7637 0.035 Uiso 1 1 calc R . . C13 C 0.4202(3) 0.1736(2) 0.8242(2) 0.0427(14) Uani 1 1 d . . . C14 C 0.4198(3) 0.2864(2) 0.90474(17) 0.0317(11) Uani 1 1 d . . . H40 H 0.4038 0.3262 0.9213 0.048 Uiso 1 1 calc R . . H41 H 0.4857 0.2834 0.9125 0.048 Uiso 1 1 calc R . . H42 H 0.3972 0.2501 0.9228 0.048 Uiso 1 1 calc R . . C15 C 0.2769(3) 0.2738(2) 0.8251(3) 0.0546(18) Uani 1 1 d . . . H43 H 0.2654 0.2278 0.8235 0.082 Uiso 1 1 calc R . . H44 H 0.2467 0.2931 0.7873 0.082 Uiso 1 1 calc R . . H45 H 0.2533 0.2928 0.8559 0.082 Uiso 1 1 calc R . . C16 C 0.6899(3) 0.46767(18) 0.80651(18) 0.0295(11) Uani 1 1 d . . . C17 C 0.7335(3) 0.4083(2) 0.8470(2) 0.0401(14) Uani 1 1 d . . . H46 H 0.7297 0.4166 0.8879 0.048 Uiso 1 1 calc R . . C18 C 0.8350(3) 0.4003(2) 0.8478(2) 0.0496(14) Uani 1 1 d . . . C19 C 0.6957(3) 0.4590(2) 0.7443(2) 0.0463(14) Uani 1 1 d . . . H47 H 0.7589 0.4628 0.7429 0.069 Uiso 1 1 calc R . . H48 H 0.6594 0.4920 0.7194 0.069 Uiso 1 1 calc R . . H49 H 0.6725 0.4168 0.7301 0.069 Uiso 1 1 calc R . . C20 C 0.7351(2) 0.5304(2) 0.8360(3) 0.0474(16) Uani 1 1 d . . . H50 H 0.7994 0.5304 0.8369 0.071 Uiso 1 1 calc R . . H51 H 0.7288 0.5330 0.8761 0.071 Uiso 1 1 calc R . . H52 H 0.7053 0.5673 0.8135 0.071 Uiso 1 1 calc R . . C21 C 0.5514(3) 0.4587(2) 1.00524(19) 0.0370(13) Uani 1 1 d . . . C22 C 0.5855(3) 0.5122(2) 1.05155(17) 0.0336(11) Uani 1 1 d . . . H53 H 0.6108 0.5471 1.0318 0.040 Uiso 1 1 calc R . . C23 C 0.6605(3) 0.4922(3) 1.1069(2) 0.0489(16) Uani 1 1 d . . . C24 C 0.6279(3) 0.4332(3) 0.9801(2) 0.0467(14) Uani 1 1 d . . . H54 H 0.6706 0.4084 1.0101 0.070 Uiso 1 1 calc R . . H55 H 0.6597 0.4691 0.9679 0.070 Uiso 1 1 calc R . . H56 H 0.6020 0.4060 0.9461 0.070 Uiso 1 1 calc R . . C25 C 0.5107(3) 0.4074(2) 1.02860(18) 0.0368(13) Uani 1 1 d . . . H57 H 0.5522 0.3925 1.0651 0.055 Uiso 1 1 calc R . . H58 H 0.4975 0.3723 1.0003 0.055 Uiso 1 1 calc R . . H59 H 0.4543 0.4221 1.0365 0.055 Uiso 1 1 calc R . . C26 C 0.2856(3) 0.6959(2) 0.95706(19) 0.0330(11) Uani 1 1 d . . . C27 C 0.2725(3) 0.6684(2) 1.0140(2) 0.0400(14) Uani 1 1 d . . . H60 H 0.2222 0.6366 1.0038 0.048 Uiso 1 1 calc R . . C28 C 0.2449(3) 0.7223(2) 1.0519(2) 0.0475(14) Uani 1 1 d . . . C29 C 0.3628(3) 0.7442(2) 0.9709(2) 0.0459(13) Uani 1 1 d . . . H61 H 0.3459 0.7806 0.9917 0.069 Uiso 1 1 calc R . . H62 H 0.3746 0.7590 0.9343 0.069 Uiso 1 1 calc R . . H63 H 0.4174 0.7241 0.9954 0.069 Uiso 1 1 calc R . . C30 C 0.1936(3) 0.7216(3) 0.9194(2) 0.0446(14) Uani 1 1 d . . . H64 H 0.1632 0.6883 0.8922 0.067 Uiso 1 1 calc R . . H65 H 0.2041 0.7589 0.8971 0.067 Uiso 1 1 calc R . . H66 H 0.1554 0.7337 0.9450 0.067 Uiso 1 1 calc R . . C31 C 0.0033(3) 0.6133(2) 0.76851(19) 0.0328(12) Uani 1 1 d . . . C32 C -0.0117(2) 0.67632(18) 0.79424(19) 0.0301(11) Uani 1 1 d . . . H67 H 0.0257 0.6769 0.8358 0.036 Uiso 1 1 calc R . . C33 C -0.1114(2) 0.6855(2) 0.7950(2) 0.0405(13) Uani 1 1 d . . . C34 C -0.0505(3) 0.6088(2) 0.70357(19) 0.0369(13) Uani 1 1 d . . . H68 H -0.1152 0.6047 0.7010 0.055 Uiso 1 1 calc R . . H69 H -0.0303 0.5714 0.6856 0.055 Uiso 1 1 calc R . . H70 H -0.0403 0.6474 0.6829 0.055 Uiso 1 1 calc R . . C35 C -0.0158(3) 0.5575(2) 0.8035(2) 0.0435(13) Uani 1 1 d . . . H71 H 0.0069 0.5669 0.8454 0.065 Uiso 1 1 calc R . . H72 H 0.0145 0.5194 0.7939 0.065 Uiso 1 1 calc R . . H73 H -0.0812 0.5500 0.7941 0.065 Uiso 1 1 calc R . . C36 C 0.3330(2) 0.79732(19) 0.7650(2) 0.0406(14) Uani 1 1 d . . . C37 C 0.2457(3) 0.8298(2) 0.7199(3) 0.0536(16) Uani 1 1 d . . . H74 H 0.2370 0.8140 0.6789 0.064 Uiso 1 1 calc R . . C38 C 0.2588(4) 0.9034(2) 0.7242(2) 0.0544(16) Uani 1 1 d . . . C39 C 0.3507(3) 0.8248(3) 0.8195(3) 0.067(2) Uani 1 1 d . . . H75 H 0.4056 0.8060 0.8449 0.101 Uiso 1 1 calc R . . H76 H 0.2996 0.8173 0.8363 0.101 Uiso 1 1 calc R . . H77 H 0.3594 0.8708 0.8161 0.101 Uiso 1 1 calc R . . C40 C 0.4150(3) 0.8005(3) 0.7379(3) 0.0726(19) Uani 1 1 d . . . H78 H 0.4483 0.8403 0.7498 0.109 Uiso 1 1 calc R . . H79 H 0.3933 0.7991 0.6951 0.109 Uiso 1 1 calc R . . H80 H 0.4552 0.7642 0.7517 0.109 Uiso 1 1 calc R . . C41 C 0.4315(3) 0.4013(3) 0.61972(18) 0.0444(13) Uani 1 1 d . . . C42 C 0.3548(4) 0.3795(4) 0.5666(2) 0.072(2) Uani 1 1 d . . . H81 H 0.3088 0.3552 0.5810 0.086 Uiso 1 1 calc R . . C43 C 0.3883(4) 0.3380(3) 0.5241(2) 0.0625(18) Uani 1 1 d . . . C44 C 0.4799(3) 0.3453(2) 0.6568(2) 0.0434(14) Uani 1 1 d . . . H82 H 0.5066 0.3175 0.6325 0.065 Uiso 1 1 calc R . . H83 H 0.4362 0.3209 0.6718 0.065 Uiso 1 1 calc R . . H84 H 0.5277 0.3616 0.6896 0.065 Uiso 1 1 calc R . . C45 C 0.4971(3) 0.4386(3) 0.5988(2) 0.0633(18) Uani 1 1 d . . . H85 H 0.5307 0.4665 0.6303 0.095 Uiso 1 1 calc R . . H86 H 0.4654 0.4646 0.5653 0.095 Uiso 1 1 calc R . . H87 H 0.5393 0.4098 0.5868 0.095 Uiso 1 1 calc R . . C46 C 0.1547(3) 0.6262(3) 0.5849(2) 0.0455(15) Uani 1 1 d . . . C47 C 0.1880(3) 0.6233(3) 0.53130(19) 0.0459(14) Uani 1 1 d . . . H88 H 0.2461 0.6477 0.5405 0.055 Uiso 1 1 calc R . . C48 C 0.1257(5) 0.6561(4) 0.4785(2) 0.093(2) Uani 1 1 d . . . C49 C 0.0617(3) 0.5908(4) 0.5732(2) 0.069(2) Uani 1 1 d . . . H89 H 0.0177 0.6117 0.5408 0.103 Uiso 1 1 calc R . . H90 H 0.0398 0.5922 0.6085 0.103 Uiso 1 1 calc R . . H91 H 0.0693 0.5463 0.5628 0.103 Uiso 1 1 calc R . . C50 C 0.1424(5) 0.6947(3) 0.6041(3) 0.089(2) Uani 1 1 d . . . H92 H 0.1842 0.7230 0.5911 0.133 Uiso 1 1 calc R . . H93 H 0.1552 0.6964 0.6469 0.133 Uiso 1 1 calc R . . H94 H 0.0801 0.7085 0.5866 0.133 Uiso 1 1 calc R . . C51 C 0.6199(3) 0.6926(2) 0.9162(2) 0.0362(13) Uani 1 1 d . . . C52 C 0.7117(3) 0.6927(3) 0.9009(3) 0.0599(17) Uani 1 1 d . . . H95 H 0.7321 0.6475 0.9001 0.072 Uiso 1 1 calc R . . C53 C 0.7857(4) 0.7291(2) 0.9392(3) 0.102(3) Uani 1 1 d DU . . C54 C 0.5859(3) 0.7581(2) 0.9200(3) 0.0497(16) Uani 1 1 d . . . H96 H 0.5351 0.7569 0.9380 0.075 Uiso 1 1 calc R . . H97 H 0.5656 0.7764 0.8806 0.075 Uiso 1 1 calc R . . H98 H 0.6345 0.7845 0.9440 0.075 Uiso 1 1 calc R . . C55 C 0.6346(5) 0.6581(3) 0.9736(3) 0.076(2) Uani 1 1 d . . . H99 H 0.6939 0.6696 0.9991 0.113 Uiso 1 1 calc R . . H100 H 0.6323 0.6120 0.9666 0.113 Uiso 1 1 calc R . . H101 H 0.5872 0.6702 0.9924 0.113 Uiso 1 1 calc R . . C56 C 0.5342(3) 0.6413(3) 0.6438(3) 0.0657(16) Uani 1 1 d . . . C57 C 0.5594(3) 0.7126(4) 0.6507(3) 0.081(2) Uani 1 1 d . . . H102 H 0.5045 0.7373 0.6527 0.097 Uiso 0.50 1 calc PR C 1 H103 H 0.5053 0.7400 0.6489 0.097 Uiso 0.50 1 calc PR C 2 C58A C 0.6007(9) 0.7439(7) 0.6090(6) 0.068(3) Uiso 0.50 1 d P A 1 C58B C 0.5976(9) 0.7198(7) 0.5874(6) 0.070(3) Uiso 0.50 1 d P B 2 C59 C 0.4598(5) 0.6218(4) 0.5865(3) 0.101(3) Uani 1 1 d . . . H104 H 0.4009 0.6384 0.5884 0.151 Uiso 1 1 calc R A . H105 H 0.4568 0.5752 0.5834 0.151 Uiso 1 1 calc R . . H106 H 0.4756 0.6396 0.5522 0.151 Uiso 1 1 calc R . . C60 C 0.6116(4) 0.5943(4) 0.6421(3) 0.089(2) Uani 1 1 d . . . H107 H 0.6055 0.5807 0.6017 0.134 Uiso 1 1 calc R A . H108 H 0.6083 0.5570 0.6664 0.134 Uiso 1 1 calc R . . H109 H 0.6701 0.6156 0.6572 0.134 Uiso 1 1 calc R . . O25 O 0.0979(5) 0.2139(6) 0.8977(3) 0.232(4) Uani 1 1 d . . . O26 O -0.0980(4) 0.2371(2) 0.8566(2) 0.0925(19) Uani 1 1 d . . . O27 O -0.0709(11) 0.1095(6) 0.9242(5) 0.263(7) Uani 1 1 d . . . O28 O 0.0175(5) 0.1296(3) 1.0597(3) 0.164(3) Uani 1 1 d . . . O29 O -0.0028(5) 0.2730(4) 1.0689(4) 0.186(4) Uani 1 1 d . . . O30 O 0.1737(3) 0.0644(3) 0.8039(3) 0.097(2) Uani 1 1 d . . . O31 O 0.4597(4) 0.0204(3) 0.7562(2) 0.098(2) Uani 1 1 d . . . O32 O 0.1848(4) 0.1429(2) 0.7030(3) 0.116(2) Uani 1 1 d . . . O33 O 0.3395(5) 0.0722(6) 0.6567(3) 0.185(4) Uani 1 1 d . . . O34 O 0.3297(5) 0.7511(4) 0.6039(3) 0.124(2) Uiso 1 1 d . . . Cl3 Cl 0.0567(3) 0.1929(2) 0.7733(2) 0.211(2) Uani 1 1 d . . . O35 O 0.5924(4) 0.9739(3) 0.8564(2) 0.0928(15) Uiso 1 1 d . . . O36 O 0.7410(4) 0.0650(3) 0.8688(3) 0.0993(17) Uiso 1 1 d . . . O37 O 0.9232(4) 0.5165(3) 0.9712(3) 0.0981(16) Uiso 1 1 d . . . O38 O 0.7231(4) 0.2924(3) 0.7138(3) 0.1062(18) Uiso 1 1 d . . . O39 O 0.7109(4) 0.3312(3) 0.6003(3) 0.1087(19) Uiso 1 1 d . . . O40 O 0.1589(4) 0.8758(3) 0.8710(3) 0.117(2) Uiso 1 1 d . . . O41 O 0.1607(7) 0.0239(6) 0.6619(5) 0.197(4) Uiso 1 1 d . . . O42 O 0.8454(10) 0.9181(8) 0.8753(6) 0.270(6) Uiso 1 1 d . . . O43 O 0.1272(7) 0.8663(5) 0.9810(4) 0.181(4) Uiso 1 1 d . . . O44A O 0.6779(5) 0.8629(4) 0.8225(3) 0.0547(18) Uiso 0.50 1 d P D 1 O44B O 0.6433(8) 0.8599(6) 0.7667(5) 0.106(4) Uiso 0.50 1 d P E 2 O45 O 0.5952(6) 0.2057(6) 0.7294(4) 0.190(4) Uiso 1 1 d . . . O46 O 0.1859(5) 0.0529(4) 0.9712(4) 0.145(3) Uiso 1 1 d . . . O47 O 0.3811(5) 0.5226(4) 0.4481(4) 0.155(3) Uiso 1 1 d . . . O48 O 0.3140(6) 0.6379(5) 0.4349(4) 0.174(3) Uiso 1 1 d . . . O49 O 0.3771(7) 0.7451(6) 0.4763(5) 0.194(4) Uiso 1 1 d . . . O50A O 0.6152(7) 0.8607(5) 0.7068(4) 0.085(3) Uiso 0.50 1 d P F 1 O51 O 0.1486(5) 0.2357(3) 0.5466(4) 0.173(3) Uiso 1 1 d D . . O52 O 0.0708(6) 0.4672(5) 0.4568(4) 0.174(3) Uiso 1 1 d . . . O53 O 0.4159(8) 0.1822(6) 0.6323(5) 0.215(5) Uiso 1 1 d . . . O54 O 0.1079(8) 0.1247(3) 0.5748(6) 0.298(8) Uiso 1 1 d D . . O55 O 0.8913(7) 0.7449(6) 0.6273(5) 0.212(5) Uiso 1 1 d . . . O56 O 0.1680(8) 0.0449(7) 0.4390(6) 0.112(4) Uiso 0.50 1 d P . . 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 La1 0.0784(2) 0.1069(4) 0.1024(3) 0.0206(3) 0.0210(2) 0.0045(3) La2 0.0889(2) 0.02943(13) 0.05919(18) 0.00728(14) -0.02116(17) -0.01118(16) Pd1 0.02241(12) 0.02019(13) 0.04078(15) -0.00090(12) 0.00334(11) -0.00254(12) Pd2 0.02343(11) 0.01660(12) 0.03135(13) 0.00118(11) 0.00692(10) 0.00166(11) Pd3 0.02904(13) 0.03045(15) 0.02790(13) -0.00746(12) 0.00341(11) 0.00231(13) Pd4 0.02416(12) 0.01781(12) 0.04548(16) 0.00112(12) 0.00950(11) 0.00051(12) Pd5 0.04521(16) 0.0575(2) 0.02240(13) 0.00273(14) 0.00747(12) 0.02085(16) Pd6 0.02915(13) 0.02050(14) 0.0786(2) 0.00846(15) 0.02611(13) 0.00040(13) Cu1 0.0286(2) 0.0244(2) 0.0357(2) -0.0018(2) 0.00481(18) -0.0014(2) Cu2 0.0361(2) 0.0251(2) 0.0338(2) 0.0001(2) 0.01174(19) 0.0021(2) Cu3 0.0349(2) 0.0295(2) 0.0385(3) -0.0009(2) 0.0022(2) 0.0048(2) Cu4 0.0275(2) 0.0232(2) 0.0343(2) -0.00314(19) 0.00807(17) 0.0002(2) Cu5 0.0272(2) 0.0298(2) 0.0448(3) -0.0016(2) 0.01013(19) 0.0031(2) Cu6 0.0374(3) 0.0516(4) 0.0769(4) -0.0139(3) 0.0226(2) 0.0000(3) Cu7 0.0354(2) 0.0263(2) 0.0324(2) 0.0045(2) 0.00725(19) 0.0047(2) Cu8 0.0333(2) 0.0217(2) 0.0391(2) -0.0016(2) 0.01178(18) 0.0006(2) Cl1 0.0258(3) 0.0207(4) 0.0317(4) 0.0011(3) 0.0104(3) 0.0031(3) Cl2 0.0552(7) 0.0369(6) 0.0551(6) -0.0175(5) 0.0032(5) 0.0022(5) S1 0.0228(4) 0.0225(4) 0.0310(4) 0.0014(4) 0.0070(3) -0.0037(4) S2 0.0295(4) 0.0192(4) 0.0335(5) -0.0033(4) -0.0004(4) 0.0016(4) S3 0.0214(4) 0.0141(4) 0.0343(4) -0.0002(3) 0.0064(3) -0.0007(3) S4 0.0226(4) 0.0162(4) 0.0316(4) 0.0035(3) 0.0079(3) 0.0025(4) S5 0.0241(4) 0.0227(4) 0.0254(4) -0.0012(3) 0.0018(3) 0.0020(4) S6 0.0260(4) 0.0264(5) 0.0327(5) -0.0081(4) 0.0051(4) 0.0016(4) S7 0.0222(4) 0.0183(4) 0.0350(4) -0.0019(4) 0.0088(3) -0.0024(4) S8 0.0216(4) 0.0178(4) 0.0538(6) 0.0053(4) 0.0091(4) -0.0018(4) S9 0.0361(5) 0.0310(5) 0.0263(4) -0.0009(4) 0.0064(4) 0.0085(4) S10 0.0341(4) 0.0353(5) 0.0280(4) 0.0072(4) 0.0103(4) 0.0088(4) S11 0.0187(4) 0.0183(4) 0.0507(5) -0.0048(4) 0.0097(4) -0.0031(4) S12 0.0365(4) 0.0300(5) 0.0419(5) 0.0142(4) 0.0227(3) 0.0047(4) O1 0.110(2) 0.080(2) 0.123(2) 0.024(2) 0.0605(18) -0.006(2) O2 0.0684(16) 0.099(3) 0.0695(17) 0.0272(19) 0.0572(12) 0.023(2) O3 0.055(2) 0.103(3) 0.104(3) -0.060(2) -0.008(2) -0.036(2) O4 0.053(2) 0.110(3) 0.124(3) -0.0940(19) 0.007(2) -0.013(2) O5 0.0526(18) 0.0240(14) 0.0532(18) 0.0162(13) -0.0063(15) -0.0004(15) O6 0.060(2) 0.0183(14) 0.092(3) 0.0154(16) -0.008(2) -0.0036(16) O7 0.0398(13) 0.083(3) 0.089(2) 0.032(2) 0.0431(13) 0.0218(17) O8 0.0195(14) 0.067(3) 0.121(3) -0.010(3) -0.0038(18) -0.0073(18) O9 0.0532(17) 0.0459(18) 0.0393(16) 0.0164(14) 0.0011(14) 0.0117(16) O10 0.0431(17) 0.239(6) 0.0402(19) 0.029(3) 0.0140(15) 0.039(3) O11 0.0589(18) 0.0527(19) 0.0532(19) -0.0125(16) 0.0161(15) 0.0229(16) O12 0.0555(17) 0.082(3) 0.075(2) -0.007(2) 0.0315(15) 0.0262(18) O13 0.0268(12) 0.055(2) 0.099(2) -0.0205(19) 0.0256(14) -0.0001(16) O14 0.0384(14) 0.066(2) 0.119(3) 0.002(2) 0.0430(15) 0.0150(17) O15 0.089(2) 0.0233(16) 0.110(3) -0.0052(18) 0.035(2) -0.0196(18) O16 0.119(2) 0.0394(19) 0.112(3) -0.0008(19) 0.0752(18) 0.0248(19) O17 0.152(4) 0.152(4) 0.059(2) -0.056(2) 0.024(2) 0.057(3) O18 0.167(4) 0.088(3) 0.091(2) -0.0649(18) 0.076(2) -0.023(3) O19 0.106(3) 0.104(4) 0.073(3) 0.028(3) -0.006(3) 0.029(3) O20 0.087(3) 0.109(3) 0.083(3) 0.045(3) 0.027(2) 0.029(3) O21 0.051(2) 0.104(3) 0.150(4) -0.073(3) 0.036(2) -0.024(2) O22 0.092(3) 0.067(3) 0.141(4) -0.023(3) -0.031(3) 0.014(3) N1 0.0184(13) 0.0205(16) 0.067(2) 0.0012(15) 0.0126(13) -0.0048(13) N2 0.0304(17) 0.0344(19) 0.075(3) -0.0067(19) 0.0038(18) -0.0164(17) N3 0.0391(16) 0.0179(15) 0.0397(17) 0.0087(13) 0.0140(13) 0.0016(14) N4 0.0419(15) 0.0221(16) 0.0387(16) -0.0047(13) 0.0238(12) -0.0011(14) N5 0.0416(16) 0.0333(17) 0.0217(14) -0.0126(13) 0.0112(12) -0.0144(15) N6 0.0381(16) 0.0353(18) 0.0406(17) -0.0160(15) 0.0146(14) 0.0042(16) N7 0.0347(15) 0.0138(15) 0.064(2) 0.0085(14) 0.0178(15) 0.0122(14) N8 0.0189(14) 0.0154(15) 0.072(2) 0.0035(16) 0.0041(15) -0.0052(14) N9 0.059(2) 0.108(4) 0.0255(18) -0.018(2) 0.0064(16) 0.036(2) N10 0.054(2) 0.116(4) 0.049(2) 0.038(2) 0.006(2) 0.018(3) N11 0.0398(15) 0.046(2) 0.087(2) -0.0121(18) 0.0316(14) -0.0139(16) N12 0.0566(16) 0.037(2) 0.141(3) 0.026(2) 0.0711(15) 0.0020(18) C1 0.0243(16) 0.053(2) 0.0339(19) 0.0002(19) 0.0076(14) 0.0247(18) C2 0.0188(15) 0.045(2) 0.058(2) 0.0306(18) 0.0128(15) 0.0081(17) C3 0.0367(18) 0.053(3) 0.145(4) 0.046(3) 0.053(2) 0.022(2) C4 0.059(3) 0.062(3) 0.041(2) 0.027(2) 0.016(2) 0.026(2) C5 0.051(2) 0.093(4) 0.031(2) -0.012(3) 0.0123(19) -0.025(3) C6 0.088(4) 0.039(2) 0.039(2) -0.018(2) -0.010(2) 0.026(3) C7 0.035(2) 0.036(2) 0.044(2) -0.0182(18) 0.0058(18) -0.0106(19) C8 0.039(2) 0.065(3) 0.078(3) -0.033(3) 0.008(2) -0.019(3) C9 0.0231(18) 0.040(2) 0.053(3) 0.004(2) -0.0049(18) 0.001(2) C10 0.042(2) 0.048(2) 0.057(3) -0.031(2) -0.008(2) 0.006(2) C11 0.0296(17) 0.0233(18) 0.0306(18) 0.0019(15) 0.0052(15) -0.0111(16) C12 0.0207(16) 0.0215(17) 0.041(2) -0.0037(16) -0.0017(15) 0.0046(16) C13 0.037(2) 0.032(2) 0.056(3) -0.011(2) 0.0066(19) 0.003(2) C14 0.0394(19) 0.0299(19) 0.0233(17) 0.0052(15) 0.0036(15) 0.0198(17) C15 0.033(2) 0.0150(19) 0.116(4) 0.005(2) 0.021(2) -0.0017(19) C16 0.0292(16) 0.0179(17) 0.043(2) 0.0026(15) 0.0131(15) 0.0136(15) C17 0.0219(18) 0.036(2) 0.055(3) -0.002(2) -0.0036(18) 0.0031(19) C18 0.0449(19) 0.026(2) 0.092(3) 0.013(2) 0.0434(18) 0.0086(19) C19 0.038(2) 0.048(3) 0.056(3) 0.017(2) 0.0174(18) 0.026(2) C20 0.0125(15) 0.022(2) 0.107(4) 0.003(2) 0.0159(18) 0.0066(16) C21 0.043(2) 0.027(2) 0.035(2) -0.0001(17) 0.0006(18) 0.0093(19) C22 0.0305(17) 0.042(2) 0.0281(18) -0.0003(17) 0.0081(14) 0.0142(18) C23 0.0256(19) 0.075(3) 0.042(2) 0.008(2) 0.0033(17) -0.011(2) C24 0.0309(18) 0.063(3) 0.047(2) 0.013(2) 0.0120(17) 0.032(2) C25 0.053(2) 0.0215(18) 0.0279(19) 0.0075(16) -0.0036(18) 0.0068(19) C26 0.0280(17) 0.0268(19) 0.044(2) 0.0082(16) 0.0096(15) 0.0184(16) C27 0.0311(19) 0.035(2) 0.050(2) 0.003(2) 0.0049(18) 0.0000(19) C28 0.039(2) 0.047(2) 0.057(2) -0.033(2) 0.0148(18) -0.014(2) C29 0.051(2) 0.036(2) 0.055(2) -0.0302(18) 0.0216(19) -0.006(2) C30 0.0336(19) 0.068(3) 0.032(2) 0.000(2) 0.0067(17) 0.001(2) C31 0.0286(17) 0.030(2) 0.038(2) -0.0099(17) 0.0061(16) -0.0049(18) C32 0.0197(15) 0.0161(17) 0.057(2) -0.0054(17) 0.0143(14) -0.0019(15) C33 0.0155(14) 0.026(2) 0.086(3) -0.005(2) 0.0236(16) -0.0035(16) C34 0.0196(16) 0.054(3) 0.032(2) 0.002(2) -0.0021(15) 0.0016(19) C35 0.0242(16) 0.027(2) 0.085(3) 0.0221(19) 0.0241(17) 0.0101(17) C36 0.0091(14) 0.0132(17) 0.096(3) 0.004(2) 0.0070(18) -0.0024(15) C37 0.041(2) 0.030(2) 0.082(3) 0.028(2) 0.002(2) 0.007(2) C38 0.070(3) 0.032(2) 0.067(3) 0.021(2) 0.028(2) -0.007(2) C39 0.020(2) 0.045(3) 0.122(5) -0.028(3) -0.009(3) 0.006(2) C40 0.047(2) 0.057(3) 0.132(4) 0.026(3) 0.056(2) 0.009(2) C41 0.0320(17) 0.077(3) 0.0238(18) -0.004(2) 0.0074(14) 0.031(2) C42 0.060(3) 0.123(5) 0.036(2) -0.033(3) 0.018(2) 0.012(3) C43 0.088(3) 0.077(3) 0.0254(19) -0.025(2) 0.020(2) 0.009(3) C44 0.0353(19) 0.037(2) 0.062(3) -0.006(2) 0.0204(17) 0.0149(19) C45 0.056(2) 0.103(4) 0.039(2) 0.004(3) 0.0262(18) 0.036(3) C46 0.044(2) 0.060(3) 0.032(2) 0.008(2) 0.0098(18) 0.003(2) C47 0.054(2) 0.057(3) 0.0328(19) 0.012(2) 0.0222(16) 0.026(2) C48 0.094(4) 0.146(5) 0.041(3) 0.057(3) 0.020(3) 0.043(4) C49 0.039(2) 0.113(5) 0.052(3) 0.033(3) 0.008(2) 0.000(3) C50 0.138(5) 0.081(4) 0.052(3) 0.030(3) 0.032(3) 0.065(3) C51 0.0192(16) 0.031(2) 0.056(2) -0.0083(19) 0.0049(16) -0.0024(17) C52 0.0222(17) 0.070(3) 0.089(3) -0.034(3) 0.0171(19) 0.006(2) C53 0.041(3) 0.037(3) 0.201(7) -0.036(4) -0.020(4) 0.002(3) C54 0.029(2) 0.029(2) 0.087(3) -0.024(2) 0.009(2) -0.0043(19) C55 0.091(4) 0.054(3) 0.067(4) -0.019(3) -0.004(3) 0.027(3) C56 0.037(2) 0.077(3) 0.086(3) 0.058(2) 0.022(2) 0.006(2) C57 0.0324(19) 0.112(5) 0.107(4) 0.042(4) 0.035(2) 0.000(3) C59 0.078(4) 0.153(6) 0.067(3) 0.073(3) 0.013(3) 0.010(4) C60 0.053(2) 0.135(6) 0.094(4) 0.034(4) 0.046(2) 0.050(3) O25 0.155(5) 0.434(11) 0.128(4) -0.164(5) 0.077(3) -0.090(7) O26 0.136(4) 0.043(2) 0.109(3) 0.009(2) 0.050(3) -0.003(3) O27 0.430(16) 0.177(9) 0.188(8) -0.072(6) 0.093(9) 0.018(10) O28 0.285(6) 0.114(4) 0.131(4) -0.055(3) 0.122(3) -0.118(4) O29 0.131(5) 0.172(6) 0.248(7) 0.111(5) 0.037(5) -0.016(5) O30 0.077(3) 0.088(3) 0.108(4) -0.019(3) -0.008(3) 0.015(3) O31 0.113(4) 0.108(4) 0.075(3) -0.003(3) 0.026(3) -0.004(3) O32 0.116(4) 0.040(2) 0.138(4) 0.001(3) -0.061(3) -0.008(3) O33 0.154(5) 0.288(10) 0.110(5) 0.014(6) 0.025(4) -0.088(6) Cl3 0.225(4) 0.210(4) 0.180(3) -0.038(3) 0.021(3) 0.054(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 La1 O1 2.493(6) . ? La1 O25 2.518(8) . ? La1 O27 2.549(12) . ? La1 O12 2.587(4) 2_547 ? La1 O22 2.594(5) 2_647 ? La1 O29 2.684(10) . ? La1 O28 2.711(7) . ? La1 O26 2.770(5) . ? La2 O41 2.436(9) . ? La2 O6 2.440(3) . ? La2 O33 2.466(9) . ? La2 O9 2.514(3) 2_647 ? La2 O15 2.568(4) 1_545 ? La2 O31 2.576(6) . ? La2 O30 2.588(6) . ? La2 O32 2.666(5) . ? La2 O16 2.673(4) 1_545 ? La2 C38 2.997(5) 1_545 ? Pd1 N1 2.060(4) . ? Pd1 N2 2.112(4) . ? Pd1 S1 2.2842(10) . ? Pd1 S2 2.2976(13) . ? Pd2 N4 2.074(3) . ? Pd2 N3 2.085(3) . ? Pd2 S4 2.2819(10) . ? Pd2 S3 2.2918(10) . ? Pd3 N5 2.089(3) . ? Pd3 N6 2.106(4) . ? Pd3 S6 2.2803(10) . ? Pd3 S5 2.2912(11) . ? Pd4 N8 2.059(3) . ? Pd4 N7 2.093(4) . ? Pd4 S7 2.2869(11) . ? Pd4 S8 2.2968(11) . ? Pd5 N10 2.034(5) . ? Pd5 N9 2.089(5) . ? Pd5 S10 2.2787(12) . ? Pd5 S9 2.2945(10) . ? Pd6 N11 2.060(4) . ? Pd6 N12 2.073(5) . ? Pd6 S11 2.2796(13) . ? Pd6 S12 2.2802(11) . ? Cu1 S7 2.2597(11) . ? Cu1 S6 2.2611(11) . ? Cu1 S1 2.2669(11) . ? Cu2 S2 2.2857(12) . ? Cu2 S7 2.2906(12) . ? Cu2 S10 2.3029(13) . ? Cu3 S2 2.3436(12) . ? Cu3 S3 2.3470(11) . ? Cu3 S9 2.3637(13) . ? Cu3 Cl2 2.4054(14) . ? Cu4 S3 2.2845(11) . ? Cu4 S5 2.3105(10) . ? Cu4 S1 2.3261(11) . ? Cu4 Cl1 2.7576(12) . ? Cu5 S6 2.2965(13) . ? Cu5 S8 2.2969(12) . ? Cu5 S11 2.3100(11) . ? Cu5 Cl1 2.7025(12) . ? Cu6 S12 2.2440(13) . ? Cu6 S8 2.2665(14) . ? Cu6 S10 2.2667(12) . ? Cu7 S9 2.2937(11) . ? Cu7 S4 2.3065(10) . ? Cu7 S12 2.3120(12) . ? Cu7 Cl1 2.7342(13) . ? Cu8 S5 2.2797(12) . ? Cu8 S11 2.2858(12) . ? Cu8 S4 2.2882(12) . ? S1 C1 1.894(5) . ? S2 C6 1.894(5) . ? S3 C11 1.901(4) . ? S4 C16 1.885(4) . ? S5 C21 1.887(4) . ? S6 C26 1.882(5) . ? S7 C31 1.892(4) . ? S8 C36 1.871(4) . ? S9 C41 1.865(5) . ? S10 C46 1.824(5) . ? S11 C51 1.877(4) . ? S12 C56 1.882(6) . ? O1 C3 1.209(8) . ? O2 C3 1.236(8) . ? O3 C8 1.261(8) . ? O4 C8 1.290(8) . ? O5 C13 1.269(5) . ? O6 C13 1.242(6) . ? O7 C18 1.295(7) . ? O8 C18 1.192(6) . ? O9 C23 1.286(7) . ? O9 La2 2.514(3) 2_657 ? O10 C23 1.153(6) . ? O11 C28 1.223(5) . ? O12 C28 1.236(6) . ? O12 La1 2.587(4) 2_557 ? O13 C33 1.186(6) . ? O14 C33 1.272(7) . ? O15 C38 1.307(8) . ? O15 La2 2.568(4) 1_565 ? O16 C38 1.204(8) . ? O16 La2 2.673(4) 1_565 ? O17 C43 1.186(8) . ? O18 C43 1.253(8) . ? O19 C48 1.219(8) . ? O20 C48 1.330(10) . ? O21 C53 1.252(6) . ? O22 C53 1.224(7) . ? O22 La1 2.594(5) 2_657 ? O23A C58A 1.289(15) . ? O24A C58A 1.313(15) . ? O24A H110 0.8400 . ? O23B C58B 1.312(14) . ? O24B C58B 1.141(14) . ? O24B H111 0.8400 . ? N1 C2 1.407(6) . ? N1 H1 0.9200 . ? N1 H2 0.9200 . ? N2 C7 1.453(7) . ? N2 H3 0.9200 . ? N2 H4 0.9200 . ? N3 C12 1.462(5) . ? N3 H5 0.9200 . ? N3 H6 0.9200 . ? N4 C17 1.487(6) . ? N4 H7 0.9200 . ? N4 H8 0.9200 . ? N5 C22 1.451(6) . ? N5 H9 0.9200 . ? N5 H10 0.9200 . ? N6 C27 1.470(5) . ? N6 H11 0.9200 . ? N6 H12 0.9200 . ? N7 C32 1.494(6) . ? N7 H13 0.9200 . ? N7 H14 0.9200 . ? N8 C37 1.475(7) . ? N8 H15 0.9200 . ? N8 H16 0.9200 . ? N9 C42 1.457(8) . ? N9 H17 0.9200 . ? N9 H18 0.9200 . ? N10 C47 1.437(8) . ? N10 H19 0.9200 . ? N10 H20 0.9200 . ? N11 C52 1.554(8) . ? N11 H21 0.9200 . ? N11 H22 0.9200 . ? N12 C57 1.525(7) . ? N12 H23 0.9200 . ? N12 H24 0.9200 . ? C1 C4 1.465(7) . ? C1 C2 1.539(5) . ? C1 C5 1.570(8) . ? C2 C3 1.554(8) . ? C2 H25 1.0000 . ? C4 H26 0.9800 . ? C4 H27 0.9800 . ? C4 H28 0.9800 . ? C5 H29 0.9800 . ? C5 H30 0.9800 . ? C5 H31 0.9800 . ? C6 C7 1.536(7) . ? C6 C10 1.562(8) . ? C6 C9 1.595(7) . ? C7 C8 1.533(7) . ? C7 H32 1.0000 . ? C9 H33 0.9800 . ? C9 H34 0.9800 . ? C9 H35 0.9800 . ? C10 H36 0.9800 . ? C10 H37 0.9800 . ? C10 H38 0.9800 . ? C11 C15 1.504(6) . ? C11 C12 1.520(6) . ? C11 C14 1.533(5) . ? C12 C13 1.508(6) . ? C12 H39 1.0000 . ? C14 H40 0.9800 . ? C14 H41 0.9800 . ? C14 H42 0.9800 . ? C15 H43 0.9800 . ? C15 H44 0.9800 . ? C15 H45 0.9800 . ? C16 C19 1.510(7) . ? C16 C20 1.564(6) . ? C16 C17 1.607(6) . ? C17 C18 1.559(6) . ? C17 H46 1.0000 . ? C19 H47 0.9800 . ? C19 H48 0.9800 . ? C19 H49 0.9800 . ? C20 H50 0.9800 . ? C20 H51 0.9800 . ? C20 H52 0.9800 . ? C21 C25 1.426(7) . ? C21 C24 1.543(7) . ? C21 C22 1.560(6) . ? C22 C23 1.555(6) . ? C22 H53 1.0000 . ? C24 H54 0.9800 . ? C24 H55 0.9800 . ? C24 H56 0.9800 . ? C25 H57 0.9800 . ? C25 H58 0.9800 . ? C25 H59 0.9800 . ? C26 C27 1.526(7) . ? C26 C29 1.526(6) . ? C26 C30 1.553(6) . ? C27 C28 1.569(7) . ? C27 H60 1.0000 . ? C29 H61 0.9800 . ? C29 H62 0.9800 . ? C29 H63 0.9800 . ? C30 H64 0.9800 . ? C30 H65 0.9800 . ? C30 H66 0.9800 . ? C31 C32 1.499(6) . ? C31 C35 1.506(7) . ? C31 C34 1.544(6) . ? C32 C33 1.543(5) . ? C32 H67 1.0000 . ? C34 H68 0.9800 . ? C34 H69 0.9800 . ? C34 H70 0.9800 . ? C35 H71 0.9800 . ? C35 H72 0.9800 . ? C35 H73 0.9800 . ? C36 C39 1.372(9) . ? C36 C40 1.556(8) . ? C36 C37 1.626(6) . ? C37 C38 1.557(7) . ? C37 H74 1.0000 . ? C38 La2 2.997(5) 1_565 ? C39 H75 0.9800 . ? C39 H76 0.9800 . ? C39 H77 0.9800 . ? C40 H78 0.9800 . ? C40 H79 0.9800 . ? C40 H80 0.9800 . ? C41 C45 1.458(8) . ? C41 C44 1.536(7) . ? C41 C42 1.548(6) . ? C42 C43 1.519(9) . ? C42 H81 1.0000 . ? C44 H82 0.9800 . ? C44 H83 0.9800 . ? C44 H84 0.9800 . ? C45 H85 0.9800 . ? C45 H86 0.9800 . ? C45 H87 0.9800 . ? C46 C47 1.489(7) . ? C46 C50 1.533(9) . ? C46 C49 1.566(8) . ? C47 C48 1.524(8) . ? C47 H88 1.0000 . ? C49 H89 0.9800 . ? C49 H90 0.9800 . ? C49 H91 0.9800 . ? C50 H92 0.9800 . ? C50 H93 0.9800 . ? C50 H94 0.9800 . ? C51 C54 1.480(6) . ? C51 C55 1.503(8) . ? C51 C52 1.542(7) . ? C52 C53 1.466(7) . ? C52 H95 1.0000 . ? C54 H96 0.9800 . ? C54 H97 0.9800 . ? C54 H98 0.9800 . ? C55 H99 0.9800 . ? C55 H100 0.9800 . ? C55 H101 0.9800 . ? C56 C57 1.543(10) . ? C56 C60 1.551(9) . ? C56 C59 1.578(8) . ? C57 C58A 1.461(17) . ? C57 C58B 1.752(17) . ? C57 H102 1.0000 . ? C57 H103 1.0000 . ? C59 H104 0.9800 . ? C59 H105 0.9800 . ? C59 H106 0.9800 . ? C60 H107 0.9800 . ? C60 H108 0.9800 . ? C60 H109 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 O1 La1 O25 76.9(3) . . ? O1 La1 O27 153.0(3) . . ? O25 La1 O27 89.5(4) . . ? O1 La1 O12 92.17(16) . 2_547 ? O25 La1 O12 132.70(19) . 2_547 ? O27 La1 O12 79.9(4) . 2_547 ? O1 La1 O22 79.72(16) . 2_647 ? O25 La1 O22 63.13(19) . 2_647 ? O27 La1 O22 115.0(4) . 2_647 ? O12 La1 O22 160.33(15) 2_547 2_647 ? O1 La1 O29 69.0(2) . . ? O25 La1 O29 138.3(3) . . ? O27 La1 O29 131.1(4) . . ? O12 La1 O29 73.19(19) 2_547 . ? O22 La1 O29 87.2(2) 2_647 . ? O1 La1 O28 132.80(18) . . ? O25 La1 O28 126.6(3) . . ? O27 La1 O28 73.9(3) . . ? O12 La1 O28 94.6(2) 2_547 . ? O22 La1 O28 78.5(2) 2_647 . ? O29 La1 O28 68.5(2) . . ? O1 La1 O26 82.36(15) . . ? O25 La1 O26 67.4(2) . . ? O27 La1 O26 70.8(3) . . ? O12 La1 O26 65.56(16) 2_547 . ? O22 La1 O26 129.95(18) 2_647 . ? O29 La1 O26 128.2(2) . . ? O28 La1 O26 141.88(18) . . ? O41 La2 O6 132.8(3) . . ? O41 La2 O33 74.1(3) . . ? O6 La2 O33 91.4(3) . . ? O41 La2 O9 138.6(3) . 2_647 ? O6 La2 O9 80.98(12) . 2_647 ? O33 La2 O9 137.4(2) . 2_647 ? O41 La2 O15 68.5(3) . 1_545 ? O6 La2 O15 145.77(15) . 1_545 ? O33 La2 O15 122.5(3) . 1_545 ? O9 La2 O15 70.80(12) 2_647 1_545 ? O41 La2 O31 129.8(3) . . ? O6 La2 O31 80.00(17) . . ? O33 La2 O31 67.5(2) . . ? O9 La2 O31 69.97(15) 2_647 . ? O15 La2 O31 106.94(17) 1_545 . ? O41 La2 O30 85.8(3) . . ? O6 La2 O30 81.77(16) . . ? O33 La2 O30 145.4(3) . . ? O9 La2 O30 75.12(15) 2_647 . ? O15 La2 O30 72.73(17) 1_545 . ? O31 La2 O30 142.62(17) . . ? O41 La2 O32 62.9(3) . . ? O6 La2 O32 70.24(14) . . ? O33 La2 O32 77.7(3) . . ? O9 La2 O32 135.64(16) 2_647 . ? O15 La2 O32 118.18(15) 1_545 . ? O31 La2 O32 133.10(19) . . ? O30 La2 O32 68.08(19) . . ? O41 La2 O16 73.6(3) . 1_545 ? O6 La2 O16 148.62(13) . 1_545 ? O33 La2 O16 79.3(3) . 1_545 ? O9 La2 O16 85.84(12) 2_647 1_545 ? O15 La2 O16 49.36(15) 1_545 1_545 ? O31 La2 O16 68.72(17) . 1_545 ? O30 La2 O16 122.07(16) . 1_545 ? O32 La2 O16 134.75(15) . 1_545 ? O41 La2 C38 68.9(3) . 1_545 ? O6 La2 C38 157.96(13) . 1_545 ? O33 La2 C38 100.1(3) . 1_545 ? O9 La2 C38 77.83(13) 2_647 1_545 ? O15 La2 C38 25.72(16) 1_545 1_545 ? O31 La2 C38 87.10(18) . 1_545 ? O30 La2 C38 98.43(17) . 1_545 ? O32 La2 C38 130.45(15) . 1_545 ? O16 La2 C38 23.64(16) 1_545 1_545 ? N1 Pd1 N2 92.85(16) . . ? N1 Pd1 S1 84.85(10) . . ? N2 Pd1 S1 176.06(12) . . ? N1 Pd1 S2 175.52(9) . . ? N2 Pd1 S2 84.52(13) . . ? S1 Pd1 S2 97.97(4) . . ? N4 Pd2 N3 92.48(13) . . ? N4 Pd2 S4 85.44(10) . . ? N3 Pd2 S4 176.00(11) . . ? N4 Pd2 S3 175.93(10) . . ? N3 Pd2 S3 85.74(10) . . ? S4 Pd2 S3 96.55(3) . . ? N5 Pd3 N6 93.54(14) . . ? N5 Pd3 S6 171.47(10) . . ? N6 Pd3 S6 85.40(10) . . ? N5 Pd3 S5 85.16(10) . . ? N6 Pd3 S5 174.96(11) . . ? S6 Pd3 S5 96.60(4) . . ? N8 Pd4 N7 93.36(13) . . ? N8 Pd4 S7 177.05(11) . . ? N7 Pd4 S7 85.94(9) . . ? N8 Pd4 S8 84.48(10) . . ? N7 Pd4 S8 173.74(11) . . ? S7 Pd4 S8 96.51(4) . . ? N10 Pd5 N9 93.2(2) . . ? N10 Pd5 S10 84.47(16) . . ? N9 Pd5 S10 176.35(12) . . ? N10 Pd5 S9 173.82(16) . . ? N9 Pd5 S9 84.96(12) . . ? S10 Pd5 S9 97.67(4) . . ? N11 Pd6 N12 91.43(18) . . ? N11 Pd6 S11 87.00(14) . . ? N12 Pd6 S11 172.89(13) . . ? N11 Pd6 S12 171.53(13) . . ? N12 Pd6 S12 85.57(12) . . ? S11 Pd6 S12 96.93(4) . . ? S7 Cu1 S6 120.37(4) . . ? S7 Cu1 S1 119.99(4) . . ? S6 Cu1 S1 117.92(4) . . ? S2 Cu2 S7 124.06(5) . . ? S2 Cu2 S10 119.96(5) . . ? S7 Cu2 S10 115.88(5) . . ? S2 Cu3 S3 109.16(4) . . ? S2 Cu3 S9 108.52(4) . . ? S3 Cu3 S9 108.24(4) . . ? S2 Cu3 Cl2 110.43(5) . . ? S3 Cu3 Cl2 109.39(4) . . ? S9 Cu3 Cl2 111.04(5) . . ? S3 Cu4 S5 127.53(4) . . ? S3 Cu4 S1 115.74(4) . . ? S5 Cu4 S1 116.39(4) . . ? S3 Cu4 Cl1 93.94(4) . . ? S5 Cu4 Cl1 92.21(4) . . ? S1 Cu4 Cl1 89.39(3) . . ? S6 Cu5 S8 119.41(4) . . ? S6 Cu5 S11 120.81(4) . . ? S8 Cu5 S11 119.40(5) . . ? S6 Cu5 Cl1 91.48(4) . . ? S8 Cu5 Cl1 92.63(4) . . ? S11 Cu5 Cl1 91.94(4) . . ? S12 Cu6 S8 121.22(4) . . ? S12 Cu6 S10 118.89(5) . . ? S8 Cu6 S10 117.23(5) . . ? S9 Cu7 S4 117.15(4) . . ? S9 Cu7 S12 122.51(4) . . ? S4 Cu7 S12 119.94(4) . . ? S9 Cu7 Cl1 93.70(4) . . ? S4 Cu7 Cl1 90.50(4) . . ? S12 Cu7 Cl1 92.06(4) . . ? S5 Cu8 S11 120.65(4) . . ? S5 Cu8 S4 119.18(4) . . ? S11 Cu8 S4 119.61(5) . . ? Cu5 Cl1 Cu7 111.19(4) . . ? Cu5 Cl1 Cu4 111.40(4) . . ? Cu7 Cl1 Cu4 107.14(4) . . ? C1 S1 Cu1 116.45(16) . . ? C1 S1 Pd1 100.12(13) . . ? Cu1 S1 Pd1 118.53(4) . . ? C1 S1 Cu4 112.64(12) . . ? Cu1 S1 Cu4 96.51(4) . . ? Pd1 S1 Cu4 113.37(5) . . ? C6 S2 Cu2 113.67(16) . . ? C6 S2 Pd1 97.0(2) . . ? Cu2 S2 Pd1 113.28(5) . . ? C6 S2 Cu3 109.71(19) . . ? Cu2 S2 Cu3 109.60(5) . . ? Pd1 S2 Cu3 113.09(4) . . ? C11 S3 Cu4 112.20(14) . . ? C11 S3 Pd2 96.78(13) . . ? Cu4 S3 Pd2 112.12(4) . . ? C11 S3 Cu3 110.14(11) . . ? Cu4 S3 Cu3 110.90(4) . . ? Pd2 S3 Cu3 114.00(5) . . ? C16 S4 Pd2 101.37(12) . . ? C16 S4 Cu8 115.04(13) . . ? Pd2 S4 Cu8 121.01(5) . . ? C16 S4 Cu7 113.58(13) . . ? Pd2 S4 Cu7 113.47(4) . . ? Cu8 S4 Cu7 93.06(4) . . ? C21 S5 Cu8 114.16(16) . . ? C21 S5 Pd3 99.64(15) . . ? Cu8 S5 Pd3 117.96(4) . . ? C21 S5 Cu4 121.19(14) . . ? Cu8 S5 Cu4 89.17(4) . . ? Pd3 S5 Cu4 116.12(4) . . ? C26 S6 Cu1 117.05(12) . . ? C26 S6 Pd3 99.44(13) . . ? Cu1 S6 Pd3 116.76(5) . . ? C26 S6 Cu5 113.98(15) . . ? Cu1 S6 Cu5 93.90(4) . . ? Pd3 S6 Cu5 116.95(5) . . ? C31 S7 Cu1 112.69(14) . . ? C31 S7 Pd4 100.17(14) . . ? Cu1 S7 Pd4 115.85(4) . . ? C31 S7 Cu2 117.19(14) . . ? Cu1 S7 Cu2 93.56(4) . . ? Pd4 S7 Cu2 118.36(5) . . ? C36 S8 Cu6 118.12(18) . . ? C36 S8 Pd4 100.12(13) . . ? Cu6 S8 Pd4 117.80(4) . . ? C36 S8 Cu5 112.47(15) . . ? Cu6 S8 Cu5 94.17(4) . . ? Pd4 S8 Cu5 115.10(5) . . ? C41 S9 Cu7 111.00(14) . . ? C41 S9 Pd5 97.83(14) . . ? Cu7 S9 Pd5 112.22(5) . . ? C41 S9 Cu3 109.78(18) . . ? Cu7 S9 Cu3 109.95(5) . . ? Pd5 S9 Cu3 115.49(5) . . ? C46 S10 Cu6 113.82(18) . . ? C46 S10 Pd5 99.59(18) . . ? Cu6 S10 Pd5 117.67(5) . . ? C46 S10 Cu2 115.37(18) . . ? Cu6 S10 Cu2 99.10(5) . . ? Pd5 S10 Cu2 112.19(5) . . ? C51 S11 Pd6 99.49(16) . . ? C51 S11 Cu8 116.84(15) . . ? Pd6 S11 Cu8 118.54(5) . . ? C51 S11 Cu5 117.33(15) . . ? Pd6 S11 Cu5 114.73(4) . . ? Cu8 S11 Cu5 91.27(4) . . ? C56 S12 Cu6 115.67(15) . . ? C56 S12 Pd6 98.97(16) . . ? Cu6 S12 Pd6 115.11(5) . . ? C56 S12 Cu7 117.27(19) . . ? Cu6 S12 Cu7 94.14(5) . . ? Pd6 S12 Cu7 116.96(4) . . ? C3 O1 La1 169.5(5) . . ? C13 O6 La2 154.3(3) . . ? C23 O9 La2 136.7(3) . 2_657 ? C28 O12 La1 149.3(4) . 2_557 ? C38 O15 La2 95.8(3) . 1_565 ? C38 O16 La2 93.4(4) . 1_565 ? C53 O22 La1 121.4(5) . 2_657 ? C58A O24A H110 109.5 . . ? C58B O24B H111 109.5 . . ? C2 N1 Pd1 116.1(3) . . ? C2 N1 H1 108.3 . . ? Pd1 N1 H1 108.3 . . ? C2 N1 H2 108.3 . . ? Pd1 N1 H2 108.3 . . ? H1 N1 H2 107.4 . . ? C7 N2 Pd1 115.7(3) . . ? C7 N2 H3 108.4 . . ? Pd1 N2 H3 108.4 . . ? C7 N2 H4 108.4 . . ? Pd1 N2 H4 108.4 . . ? H3 N2 H4 107.4 . . ? C12 N3 Pd2 115.6(2) . . ? C12 N3 H5 108.4 . . ? Pd2 N3 H5 108.4 . . ? C12 N3 H6 108.4 . . ? Pd2 N3 H6 108.4 . . ? H5 N3 H6 107.4 . . ? C17 N4 Pd2 114.0(3) . . ? C17 N4 H7 108.7 . . ? Pd2 N4 H7 108.7 . . ? C17 N4 H8 108.7 . . ? Pd2 N4 H8 108.7 . . ? H7 N4 H8 107.6 . . ? C22 N5 Pd3 110.9(2) . . ? C22 N5 H9 109.5 . . ? Pd3 N5 H9 109.5 . . ? C22 N5 H10 109.5 . . ? Pd3 N5 H10 109.5 . . ? H9 N5 H10 108.1 . . ? C27 N6 Pd3 114.0(3) . . ? C27 N6 H11 108.7 . . ? Pd3 N6 H11 108.7 . . ? C27 N6 H12 108.7 . . ? Pd3 N6 H12 108.7 . . ? H11 N6 H12 107.6 . . ? C32 N7 Pd4 110.3(2) . . ? C32 N7 H13 109.6 . . ? Pd4 N7 H13 109.6 . . ? C32 N7 H14 109.6 . . ? Pd4 N7 H14 109.6 . . ? H13 N7 H14 108.1 . . ? C37 N8 Pd4 116.4(3) . . ? C37 N8 H15 108.2 . . ? Pd4 N8 H15 108.2 . . ? C37 N8 H16 108.2 . . ? Pd4 N8 H16 108.2 . . ? H15 N8 H16 107.3 . . ? C42 N9 Pd5 114.2(3) . . ? C42 N9 H17 108.7 . . ? Pd5 N9 H17 108.7 . . ? C42 N9 H18 108.7 . . ? Pd5 N9 H18 108.7 . . ? H17 N9 H18 107.6 . . ? C47 N10 Pd5 116.4(3) . . ? C47 N10 H19 108.2 . . ? Pd5 N10 H19 108.2 . . ? C47 N10 H20 108.2 . . ? Pd5 N10 H20 108.2 . . ? H19 N10 H20 107.3 . . ? C52 N11 Pd6 112.0(3) . . ? C52 N11 H21 109.2 . . ? Pd6 N11 H21 109.2 . . ? C52 N11 H22 109.2 . . ? Pd6 N11 H22 109.2 . . ? H21 N11 H22 107.9 . . ? C57 N12 Pd6 113.6(3) . . ? C57 N12 H23 108.8 . . ? Pd6 N12 H23 108.8 . . ? C57 N12 H24 108.9 . . ? Pd6 N12 H24 108.8 . . ? H23 N12 H24 107.7 . . ? C4 C1 C2 113.6(4) . . ? C4 C1 C5 109.8(4) . . ? C2 C1 C5 111.6(4) . . ? C4 C1 S1 111.2(3) . . ? C2 C1 S1 104.8(3) . . ? C5 C1 S1 105.5(3) . . ? N1 C2 C1 112.9(4) . . ? N1 C2 C3 110.9(4) . . ? C1 C2 C3 108.2(3) . . ? N1 C2 H25 108.2 . . ? C1 C2 H25 108.2 . . ? C3 C2 H25 108.2 . . ? O1 C3 O2 127.3(7) . . ? O1 C3 C2 113.7(6) . . ? O2 C3 C2 118.6(5) . . ? C1 C4 H26 109.5 . . ? C1 C4 H27 109.5 . . ? H26 C4 H27 109.5 . . ? C1 C4 H28 109.5 . . ? H26 C4 H28 109.5 . . ? H27 C4 H28 109.5 . . ? C1 C5 H29 109.5 . . ? C1 C5 H30 109.5 . . ? H29 C5 H30 109.5 . . ? C1 C5 H31 109.5 . . ? H29 C5 H31 109.5 . . ? H30 C5 H31 109.5 . . ? C7 C6 C10 115.3(4) . . ? C7 C6 C9 112.8(5) . . ? C10 C6 C9 108.9(4) . . ? C7 C6 S2 105.5(3) . . ? C10 C6 S2 105.6(4) . . ? C9 C6 S2 108.2(3) . . ? N2 C7 C8 109.8(4) . . ? N2 C7 C6 107.0(4) . . ? C8 C7 C6 108.7(4) . . ? N2 C7 H32 110.4 . . ? C8 C7 H32 110.4 . . ? C6 C7 H32 110.4 . . ? O3 C8 O4 126.1(5) . . ? O3 C8 C7 117.7(5) . . ? O4 C8 C7 115.5(5) . . ? C6 C9 H33 109.5 . . ? C6 C9 H34 109.5 . . ? H33 C9 H34 109.5 . . ? C6 C9 H35 109.5 . . ? H33 C9 H35 109.5 . . ? H34 C9 H35 109.5 . . ? C6 C10 H36 109.5 . . ? C6 C10 H37 109.5 . . ? H36 C10 H37 109.5 . . ? C6 C10 H38 109.5 . . ? H36 C10 H38 109.5 . . ? H37 C10 H38 109.5 . . ? C15 C11 C12 115.0(4) . . ? C15 C11 C14 110.7(4) . . ? C12 C11 C14 112.2(3) . . ? C15 C11 S3 106.3(3) . . ? C12 C11 S3 105.5(3) . . ? C14 C11 S3 106.5(3) . . ? N3 C12 C13 112.5(3) . . ? N3 C12 C11 110.9(3) . . ? C13 C12 C11 110.4(4) . . ? N3 C12 H39 107.6 . . ? C13 C12 H39 107.6 . . ? C11 C12 H39 107.6 . . ? O6 C13 O5 123.0(4) . . ? O6 C13 C12 118.5(4) . . ? O5 C13 C12 118.5(4) . . ? C11 C14 H40 109.5 . . ? C11 C14 H41 109.5 . . ? H40 C14 H41 109.5 . . ? C11 C14 H42 109.5 . . ? H40 C14 H42 109.5 . . ? H41 C14 H42 109.5 . . ? C11 C15 H43 109.5 . . ? C11 C15 H44 109.5 . . ? H43 C15 H44 109.5 . . ? C11 C15 H45 109.5 . . ? H43 C15 H45 109.5 . . ? H44 C15 H45 109.5 . . ? C19 C16 C20 113.8(4) . . ? C19 C16 C17 111.6(4) . . ? C20 C16 C17 108.7(3) . . ? C19 C16 S4 109.6(3) . . ? C20 C16 S4 108.5(3) . . ? C17 C16 S4 104.1(3) . . ? N4 C17 C18 112.1(4) . . ? N4 C17 C16 108.3(3) . . ? C18 C17 C16 110.3(4) . . ? N4 C17 H46 108.7 . . ? C18 C17 H46 108.7 . . ? C16 C17 H46 108.7 . . ? O8 C18 O7 126.2(5) . . ? O8 C18 C17 117.7(5) . . ? O7 C18 C17 116.0(4) . . ? C16 C19 H47 109.5 . . ? C16 C19 H48 109.5 . . ? H47 C19 H48 109.5 . . ? C16 C19 H49 109.5 . . ? H47 C19 H49 109.5 . . ? H48 C19 H49 109.5 . . ? C16 C20 H50 109.5 . . ? C16 C20 H51 109.5 . . ? H50 C20 H51 109.5 . . ? C16 C20 H52 109.5 . . ? H50 C20 H52 109.5 . . ? H51 C20 H52 109.5 . . ? C25 C21 C24 110.1(4) . . ? C25 C21 C22 111.8(4) . . ? C24 C21 C22 111.8(4) . . ? C25 C21 S5 113.0(3) . . ? C24 C21 S5 106.5(3) . . ? C22 C21 S5 103.5(3) . . ? N5 C22 C23 110.0(4) . . ? N5 C22 C21 108.6(3) . . ? C23 C22 C21 115.7(4) . . ? N5 C22 H53 107.4 . . ? C23 C22 H53 107.4 . . ? C21 C22 H53 107.4 . . ? O10 C23 O9 126.0(4) . . ? O10 C23 C22 118.5(5) . . ? O9 C23 C22 114.9(4) . . ? C21 C24 H54 109.5 . . ? C21 C24 H55 109.5 . . ? H54 C24 H55 109.5 . . ? C21 C24 H56 109.5 . . ? H54 C24 H56 109.5 . . ? H55 C24 H56 109.5 . . ? C21 C25 H57 109.5 . . ? C21 C25 H58 109.5 . . ? H57 C25 H58 109.5 . . ? C21 C25 H59 109.5 . . ? H57 C25 H59 109.5 . . ? H58 C25 H59 109.5 . . ? C27 C26 C29 109.7(4) . . ? C27 C26 C30 109.2(4) . . ? C29 C26 C30 115.3(4) . . ? C27 C26 S6 105.9(3) . . ? C29 C26 S6 107.2(3) . . ? C30 C26 S6 109.2(3) . . ? N6 C27 C26 110.9(4) . . ? N6 C27 C28 110.7(4) . . ? C26 C27 C28 110.5(4) . . ? N6 C27 H60 108.2 . . ? C26 C27 H60 108.2 . . ? C28 C27 H60 108.2 . . ? O11 C28 O12 125.2(5) . . ? O11 C28 C27 116.7(4) . . ? O12 C28 C27 118.0(4) . . ? C26 C29 H61 109.5 . . ? C26 C29 H62 109.5 . . ? H61 C29 H62 109.5 . . ? C26 C29 H63 109.5 . . ? H61 C29 H63 109.5 . . ? H62 C29 H63 109.5 . . ? C26 C30 H64 109.5 . . ? C26 C30 H65 109.5 . . ? H64 C30 H65 109.5 . . ? C26 C30 H66 109.5 . . ? H64 C30 H66 109.5 . . ? H65 C30 H66 109.5 . . ? C32 C31 C35 112.9(4) . . ? C32 C31 C34 111.1(3) . . ? C35 C31 C34 111.8(4) . . ? C32 C31 S7 104.3(3) . . ? C35 C31 S7 107.8(3) . . ? C34 C31 S7 108.6(3) . . ? N7 C32 C31 112.7(4) . . ? N7 C32 C33 109.5(3) . . ? C31 C32 C33 111.9(3) . . ? N7 C32 H67 107.5 . . ? C31 C32 H67 107.5 . . ? C33 C32 H67 107.5 . . ? O13 C33 O14 122.1(4) . . ? O13 C33 C32 121.6(5) . . ? O14 C33 C32 116.2(4) . . ? C31 C34 H68 109.5 . . ? C31 C34 H69 109.5 . . ? H68 C34 H69 109.5 . . ? C31 C34 H70 109.5 . . ? H68 C34 H70 109.5 . . ? H69 C34 H70 109.5 . . ? C31 C35 H71 109.5 . . ? C31 C35 H72 109.5 . . ? H71 C35 H72 109.5 . . ? C31 C35 H73 109.5 . . ? H71 C35 H73 109.5 . . ? H72 C35 H73 109.5 . . ? C39 C36 C40 112.9(4) . . ? C39 C36 C37 111.5(4) . . ? C40 C36 C37 108.9(5) . . ? C39 C36 S8 113.5(4) . . ? C40 C36 S8 105.4(3) . . ? C37 C36 S8 104.1(3) . . ? N8 C37 C38 107.7(4) . . ? N8 C37 C36 105.0(4) . . ? C38 C37 C36 107.6(4) . . ? N8 C37 H74 112.0 . . ? C38 C37 H74 112.0 . . ? C36 C37 H74 112.0 . . ? O16 C38 O15 121.4(5) . . ? O16 C38 C37 119.3(5) . . ? O15 C38 C37 119.0(5) . . ? O16 C38 La2 62.9(3) . 1_565 ? O15 C38 La2 58.5(3) . 1_565 ? C37 C38 La2 174.6(4) . 1_565 ? C36 C39 H75 109.5 . . ? C36 C39 H76 109.5 . . ? H75 C39 H76 109.5 . . ? C36 C39 H77 109.5 . . ? H75 C39 H77 109.5 . . ? H76 C39 H77 109.5 . . ? C36 C40 H78 109.5 . . ? C36 C40 H79 109.5 . . ? H78 C40 H79 109.5 . . ? C36 C40 H80 109.5 . . ? H78 C40 H80 109.5 . . ? H79 C40 H80 109.5 . . ? C45 C41 C44 109.3(4) . . ? C45 C41 C42 109.1(4) . . ? C44 C41 C42 112.8(5) . . ? C45 C41 S9 112.1(4) . . ? C44 C41 S9 109.6(3) . . ? C42 C41 S9 103.9(3) . . ? N9 C42 C43 108.0(4) . . ? N9 C42 C41 108.8(5) . . ? C43 C42 C41 113.0(5) . . ? N9 C42 H81 109.0 . . ? C43 C42 H81 109.0 . . ? C41 C42 H81 109.0 . . ? O17 C43 O18 118.8(6) . . ? O17 C43 C42 121.3(6) . . ? O18 C43 C42 119.9(5) . . ? C41 C44 H82 109.5 . . ? C41 C44 H83 109.5 . . ? H82 C44 H83 109.5 . . ? C41 C44 H84 109.5 . . ? H82 C44 H84 109.5 . . ? H83 C44 H84 109.5 . . ? C41 C45 H85 109.5 . . ? C41 C45 H86 109.5 . . ? H85 C45 H86 109.5 . . ? C41 C45 H87 109.5 . . ? H85 C45 H87 109.5 . . ? H86 C45 H87 109.5 . . ? C47 C46 C50 112.7(5) . . ? C47 C46 C49 109.2(4) . . ? C50 C46 C49 108.7(5) . . ? C47 C46 S10 107.7(4) . . ? C50 C46 S10 110.6(3) . . ? C49 C46 S10 107.7(4) . . ? N10 C47 C46 111.6(5) . . ? N10 C47 C48 112.6(4) . . ? C46 C47 C48 113.6(5) . . ? N10 C47 H88 106.1 . . ? C46 C47 H88 106.1 . . ? C48 C47 H88 106.1 . . ? O19 C48 O20 122.0(6) . . ? O19 C48 C47 121.0(7) . . ? O20 C48 C47 116.9(5) . . ? C46 C49 H89 109.5 . . ? C46 C49 H90 109.5 . . ? H89 C49 H90 109.5 . . ? C46 C49 H91 109.5 . . ? H89 C49 H91 109.5 . . ? H90 C49 H91 109.5 . . ? C46 C50 H92 109.5 . . ? C46 C50 H93 109.5 . . ? H92 C50 H93 109.5 . . ? C46 C50 H94 109.5 . . ? H92 C50 H94 109.5 . . ? H93 C50 H94 109.5 . . ? C54 C51 C55 111.3(5) . . ? C54 C51 C52 111.8(4) . . ? C55 C51 C52 106.5(4) . . ? C54 C51 S11 111.8(3) . . ? C55 C51 S11 109.8(4) . . ? C52 C51 S11 105.4(3) . . ? C53 C52 C51 117.4(5) . . ? C53 C52 N11 106.3(5) . . ? C51 C52 N11 108.4(4) . . ? C53 C52 H95 108.1 . . ? C51 C52 H95 108.1 . . ? N11 C52 H95 108.1 . . ? O22 C53 O21 119.2(5) . . ? O22 C53 C52 118.0(5) . . ? O21 C53 C52 122.5(5) . . ? C51 C54 H96 109.5 . . ? C51 C54 H97 109.5 . . ? H96 C54 H97 109.5 . . ? C51 C54 H98 109.5 . . ? H96 C54 H98 109.5 . . ? H97 C54 H98 109.5 . . ? C51 C55 H99 109.5 . . ? C51 C55 H100 109.5 . . ? H99 C55 H100 109.5 . . ? C51 C55 H101 109.5 . . ? H99 C55 H101 109.5 . . ? H100 C55 H101 109.5 . . ? C57 C56 C60 116.5(5) . . ? C57 C56 C59 116.5(5) . . ? C60 C56 C59 101.4(5) . . ? C57 C56 S12 105.0(4) . . ? C60 C56 S12 109.0(4) . . ? C59 C56 S12 108.2(4) . . ? C58A C57 N12 104.1(6) . . ? C58A C57 C56 120.3(8) . . ? N12 C57 C56 106.2(5) . . ? N12 C57 C58B 116.8(5) . . ? C56 C57 C58B 97.1(7) . . ? C58A C57 H102 108.5 . . ? N12 C57 H102 108.5 . . ? C56 C57 H102 108.5 . . ? C58B C57 H102 118.0 . . ? C58A C57 H103 102.3 . . ? N12 C57 H103 111.9 . . ? C56 C57 H103 111.9 . . ? C58B C57 H103 111.9 . . ? O23A C58A O24A 126.5(13) . . ? O23A C58A C57 120.4(10) . . ? O24A C58A C57 104.7(10) . . ? O24B C58B O23B 133.4(14) . . ? O24B C58B C57 118.5(11) . . ? O23B C58B C57 107.7(9) . . ? C56 C59 H104 109.5 . . ? C56 C59 H105 109.5 . . ? H104 C59 H105 109.5 . . ? C56 C59 H106 109.5 . . ? H104 C59 H106 109.5 . . ? H105 C59 H106 109.5 . . ? C56 C60 H107 109.5 . . ? C56 C60 H108 109.5 . . ? H107 C60 H108 109.5 . . ? C56 C60 H109 109.5 . . ? H107 C60 H109 109.5 . . ? H108 C60 H109 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 S6 Cu5 Cl1 Cu7 -153.84(4) . . . . ? S8 Cu5 Cl1 Cu7 86.63(4) . . . . ? S11 Cu5 Cl1 Cu7 -32.93(4) . . . . ? S6 Cu5 Cl1 Cu4 -34.40(4) . . . . ? S8 Cu5 Cl1 Cu4 -153.94(4) . . . . ? S11 Cu5 Cl1 Cu4 86.50(5) . . . . ? S9 Cu7 Cl1 Cu5 -153.25(4) . . . . ? S4 Cu7 Cl1 Cu5 89.49(4) . . . . ? S12 Cu7 Cl1 Cu5 -30.48(4) . . . . ? S9 Cu7 Cl1 Cu4 84.81(4) . . . . ? S4 Cu7 Cl1 Cu4 -32.45(4) . . . . ? S12 Cu7 Cl1 Cu4 -152.43(4) . . . . ? S3 Cu4 Cl1 Cu5 -156.37(4) . . . . ? S5 Cu4 Cl1 Cu5 -28.51(4) . . . . ? S1 Cu4 Cl1 Cu5 87.87(4) . . . . ? S3 Cu4 Cl1 Cu7 -34.56(4) . . . . ? S5 Cu4 Cl1 Cu7 93.29(4) . . . . ? S1 Cu4 Cl1 Cu7 -150.32(4) . . . . ? S7 Cu1 S1 C1 -126.02(13) . . . . ? S6 Cu1 S1 C1 68.86(14) . . . . ? S7 Cu1 S1 Pd1 -6.42(8) . . . . ? S6 Cu1 S1 Pd1 -171.54(5) . . . . ? S7 Cu1 S1 Cu4 114.68(5) . . . . ? S6 Cu1 S1 Cu4 -50.44(6) . . . . ? N1 Pd1 S1 C1 8.24(17) . . . . ? S2 Pd1 S1 C1 -175.26(14) . . . . ? N1 Pd1 S1 Cu1 -119.50(10) . . . . ? S2 Pd1 S1 Cu1 57.00(6) . . . . ? N1 Pd1 S1 Cu4 128.44(10) . . . . ? S2 Pd1 S1 Cu4 -55.06(5) . . . . ? S3 Cu4 S1 C1 109.50(16) . . . . ? S5 Cu4 S1 C1 -64.26(17) . . . . ? Cl1 Cu4 S1 C1 -156.43(16) . . . . ? S3 Cu4 S1 Cu1 -128.27(4) . . . . ? S5 Cu4 S1 Cu1 57.97(5) . . . . ? Cl1 Cu4 S1 Cu1 -34.20(4) . . . . ? S3 Cu4 S1 Pd1 -3.31(6) . . . . ? S5 Cu4 S1 Pd1 -177.07(4) . . . . ? Cl1 Cu4 S1 Pd1 90.77(5) . . . . ? S7 Cu2 S2 C6 100.2(2) . . . . ? S10 Cu2 S2 C6 -76.0(2) . . . . ? S7 Cu2 S2 Pd1 -9.26(6) . . . . ? S10 Cu2 S2 Pd1 174.49(4) . . . . ? S7 Cu2 S2 Cu3 -136.59(4) . . . . ? S10 Cu2 S2 Cu3 47.16(6) . . . . ? N2 Pd1 S2 C6 16.2(2) . . . . ? S1 Pd1 S2 C6 -166.91(17) . . . . ? N2 Pd1 S2 Cu2 135.72(11) . . . . ? S1 Pd1 S2 Cu2 -47.35(5) . . . . ? N2 Pd1 S2 Cu3 -98.80(11) . . . . ? S1 Pd1 S2 Cu3 78.13(5) . . . . ? S3 Cu3 S2 C6 -142.47(19) . . . . ? S9 Cu3 S2 C6 99.76(19) . . . . ? Cl2 Cu3 S2 C6 -22.17(19) . . . . ? S3 Cu3 S2 Cu2 92.07(5) . . . . ? S9 Cu3 S2 Cu2 -25.71(5) . . . . ? Cl2 Cu3 S2 Cu2 -147.64(5) . . . . ? S3 Cu3 S2 Pd1 -35.37(5) . . . . ? S9 Cu3 S2 Pd1 -153.14(4) . . . . ? Cl2 Cu3 S2 Pd1 84.92(6) . . . . ? S5 Cu4 S3 C11 98.30(13) . . . . ? S1 Cu4 S3 C11 -74.64(13) . . . . ? Cl1 Cu4 S3 C11 -165.86(13) . . . . ? S5 Cu4 S3 Pd2 -9.36(7) . . . . ? S1 Cu4 S3 Pd2 177.70(4) . . . . ? Cl1 Cu4 S3 Pd2 86.48(4) . . . . ? S5 Cu4 S3 Cu3 -138.06(5) . . . . ? S1 Cu4 S3 Cu3 49.00(6) . . . . ? Cl1 Cu4 S3 Cu3 -42.23(5) . . . . ? N3 Pd2 S3 C11 18.87(16) . . . . ? S4 Pd2 S3 C11 -164.42(13) . . . . ? N3 Pd2 S3 Cu4 136.19(11) . . . . ? S4 Pd2 S3 Cu4 -47.10(5) . . . . ? N3 Pd2 S3 Cu3 -96.75(10) . . . . ? S4 Pd2 S3 Cu3 79.96(4) . . . . ? S2 Cu3 S3 C11 96.39(15) . . . . ? S9 Cu3 S3 C11 -145.66(15) . . . . ? Cl2 Cu3 S3 C11 -24.55(16) . . . . ? S2 Cu3 S3 Cu4 -28.42(6) . . . . ? S9 Cu3 S3 Cu4 89.53(5) . . . . ? Cl2 Cu3 S3 Cu4 -149.35(5) . . . . ? S2 Cu3 S3 Pd2 -156.10(4) . . . . ? S9 Cu3 S3 Pd2 -38.15(5) . . . . ? Cl2 Cu3 S3 Pd2 82.96(6) . . . . ? N4 Pd2 S4 C16 6.89(16) . . . . ? S3 Pd2 S4 C16 -176.68(14) . . . . ? N4 Pd2 S4 Cu8 -121.76(10) . . . . ? S3 Pd2 S4 Cu8 54.67(5) . . . . ? N4 Pd2 S4 Cu7 129.04(11) . . . . ? S3 Pd2 S4 Cu7 -54.53(5) . . . . ? S5 Cu8 S4 C16 -122.65(14) . . . . ? S11 Cu8 S4 C16 65.86(15) . . . . ? S5 Cu8 S4 Pd2 -0.33(6) . . . . ? S11 Cu8 S4 Pd2 -171.82(4) . . . . ? S5 Cu8 S4 Cu7 119.50(4) . . . . ? S11 Cu8 S4 Cu7 -51.99(5) . . . . ? S9 Cu7 S4 C16 111.39(14) . . . . ? S12 Cu7 S4 C16 -61.52(15) . . . . ? Cl1 Cu7 S4 C16 -154.19(14) . . . . ? S9 Cu7 S4 Pd2 -3.69(7) . . . . ? S12 Cu7 S4 Pd2 -176.61(5) . . . . ? Cl1 Cu7 S4 Pd2 90.72(5) . . . . ? S9 Cu7 S4 Cu8 -129.54(5) . . . . ? S12 Cu7 S4 Cu8 57.54(6) . . . . ? Cl1 Cu7 S4 Cu8 -35.13(4) . . . . ? S11 Cu8 S5 C21 -114.73(15) . . . . ? S4 Cu8 S5 C21 73.87(16) . . . . ? S11 Cu8 S5 Pd3 1.74(6) . . . . ? S4 Cu8 S5 Pd3 -169.65(4) . . . . ? S11 Cu8 S5 Cu4 121.13(4) . . . . ? S4 Cu8 S5 Cu4 -50.27(5) . . . . ? N5 Pd3 S5 C21 4.94(18) . . . . ? S6 Pd3 S5 C21 176.55(15) . . . . ? N5 Pd3 S5 Cu8 -119.12(11) . . . . ? S6 Pd3 S5 Cu8 52.49(5) . . . . ? N5 Pd3 S5 Cu4 136.88(11) . . . . ? S6 Pd3 S5 Cu4 -51.51(5) . . . . ? S3 Cu4 S5 C21 -58.7(2) . . . . ? S1 Cu4 S5 C21 114.16(19) . . . . ? Cl1 Cu4 S5 C21 -155.42(19) . . . . ? S3 Cu4 S5 Cu8 59.27(5) . . . . ? S1 Cu4 S5 Cu8 -127.82(4) . . . . ? Cl1 Cu4 S5 Cu8 -37.41(4) . . . . ? S3 Cu4 S5 Pd3 -179.73(4) . . . . ? S1 Cu4 S5 Pd3 -6.82(6) . . . . ? Cl1 Cu4 S5 Pd3 83.59(5) . . . . ? S7 Cu1 S6 C26 68.70(17) . . . . ? S1 Cu1 S6 C26 -126.24(16) . . . . ? S7 Cu1 S6 Pd3 -173.68(5) . . . . ? S1 Cu1 S6 Pd3 -8.61(7) . . . . ? S7 Cu1 S6 Cu5 -50.78(6) . . . . ? S1 Cu1 S6 Cu5 114.28(5) . . . . ? N6 Pd3 S6 C26 12.21(17) . . . . ? S5 Pd3 S6 C26 -172.44(14) . . . . ? N6 Pd3 S6 Cu1 -114.67(11) . . . . ? S5 Pd3 S6 Cu1 60.68(6) . . . . ? N6 Pd3 S6 Cu5 135.35(11) . . . . ? S5 Pd3 S6 Cu5 -49.30(5) . . . . ? S8 Cu5 S6 C26 -64.46(14) . . . . ? S11 Cu5 S6 C26 108.54(13) . . . . ? Cl1 Cu5 S6 C26 -158.32(13) . . . . ? S8 Cu5 S6 Cu1 57.49(6) . . . . ? S11 Cu5 S6 Cu1 -129.52(4) . . . . ? Cl1 Cu5 S6 Cu1 -36.37(4) . . . . ? S8 Cu5 S6 Pd3 -179.77(4) . . . . ? S11 Cu5 S6 Pd3 -6.77(7) . . . . ? Cl1 Cu5 S6 Pd3 86.37(5) . . . . ? S6 Cu1 S7 C31 -120.83(15) . . . . ? S1 Cu1 S7 C31 74.41(15) . . . . ? S6 Cu1 S7 Pd4 -6.30(7) . . . . ? S1 Cu1 S7 Pd4 -171.05(5) . . . . ? S6 Cu1 S7 Cu2 117.69(5) . . . . ? S1 Cu1 S7 Cu2 -47.07(6) . . . . ? N7 Pd4 S7 C31 6.29(18) . . . . ? S8 Pd4 S7 C31 -179.49(14) . . . . ? N7 Pd4 S7 Cu1 -115.20(12) . . . . ? S8 Pd4 S7 Cu1 59.01(6) . . . . ? N7 Pd4 S7 Cu2 134.92(12) . . . . ? S8 Pd4 S7 Cu2 -50.86(5) . . . . ? S2 Cu2 S7 C31 -60.82(16) . . . . ? S10 Cu2 S7 C31 115.57(16) . . . . ? S2 Cu2 S7 Cu1 56.99(5) . . . . ? S10 Cu2 S7 Cu1 -126.62(4) . . . . ? S2 Cu2 S7 Pd4 179.00(4) . . . . ? S10 Cu2 S7 Pd4 -4.61(6) . . . . ? S12 Cu6 S8 C36 69.68(15) . . . . ? S10 Cu6 S8 C36 -129.04(14) . . . . ? S12 Cu6 S8 Pd4 -169.86(5) . . . . ? S10 Cu6 S8 Pd4 -8.58(8) . . . . ? S12 Cu6 S8 Cu5 -48.58(6) . . . . ? S10 Cu6 S8 Cu5 112.70(5) . . . . ? N8 Pd4 S8 C36 10.4(2) . . . . ? S7 Pd4 S8 C36 -172.35(18) . . . . ? N8 Pd4 S8 Cu6 -119.00(13) . . . . ? S7 Pd4 S8 Cu6 58.21(6) . . . . ? N8 Pd4 S8 Cu5 131.26(13) . . . . ? S7 Pd4 S8 Cu5 -51.53(5) . . . . ? S6 Cu5 S8 C36 106.77(18) . . . . ? S11 Cu5 S8 C36 -66.32(18) . . . . ? Cl1 Cu5 S8 C36 -160.04(18) . . . . ? S6 Cu5 S8 Cu6 -130.44(5) . . . . ? S11 Cu5 S8 Cu6 56.47(5) . . . . ? Cl1 Cu5 S8 Cu6 -37.25(4) . . . . ? S6 Cu5 S8 Pd4 -7.03(7) . . . . ? S11 Cu5 S8 Pd4 179.87(4) . . . . ? Cl1 Cu5 S8 Pd4 86.15(5) . . . . ? S4 Cu7 S9 C41 -73.28(18) . . . . ? S12 Cu7 S9 C41 99.44(18) . . . . ? Cl1 Cu7 S9 C41 -165.75(17) . . . . ? S4 Cu7 S9 Pd5 178.39(5) . . . . ? S12 Cu7 S9 Pd5 -8.89(8) . . . . ? Cl1 Cu7 S9 Pd5 85.92(5) . . . . ? S4 Cu7 S9 Cu3 48.38(6) . . . . ? S12 Cu7 S9 Cu3 -138.89(5) . . . . ? Cl1 Cu7 S9 Cu3 -44.08(5) . . . . ? N9 Pd5 S9 C41 16.7(2) . . . . ? S10 Pd5 S9 C41 -165.85(16) . . . . ? N9 Pd5 S9 Cu7 133.25(15) . . . . ? S10 Pd5 S9 Cu7 -49.30(6) . . . . ? N9 Pd5 S9 Cu3 -99.66(15) . . . . ? S10 Pd5 S9 Cu3 77.80(5) . . . . ? S2 Cu3 S9 C41 -145.43(13) . . . . ? S3 Cu3 S9 C41 96.21(13) . . . . ? Cl2 Cu3 S9 C41 -23.87(13) . . . . ? S2 Cu3 S9 Cu7 92.18(5) . . . . ? S3 Cu3 S9 Cu7 -26.18(6) . . . . ? Cl2 Cu3 S9 Cu7 -146.26(5) . . . . ? S2 Cu3 S9 Pd5 -36.05(6) . . . . ? S3 Cu3 S9 Pd5 -154.41(5) . . . . ? Cl2 Cu3 S9 Pd5 85.51(6) . . . . ? S12 Cu6 S10 C46 -124.3(2) . . . . ? S8 Cu6 S10 C46 74.0(2) . . . . ? S12 Cu6 S10 Pd5 -8.37(8) . . . . ? S8 Cu6 S10 Pd5 -170.11(5) . . . . ? S12 Cu6 S10 Cu2 112.68(6) . . . . ? S8 Cu6 S10 Cu2 -49.05(6) . . . . ? N10 Pd5 S10 C46 9.9(2) . . . . ? S9 Pd5 S10 C46 -175.98(18) . . . . ? N10 Pd5 S10 Cu6 -113.58(16) . . . . ? S9 Pd5 S10 Cu6 60.58(6) . . . . ? N10 Pd5 S10 Cu2 132.43(16) . . . . ? S9 Pd5 S10 Cu2 -53.42(5) . . . . ? S2 Cu2 S10 C46 110.2(2) . . . . ? S7 Cu2 S10 C46 -66.4(2) . . . . ? S2 Cu2 S10 Cu6 -127.93(5) . . . . ? S7 Cu2 S10 Cu6 55.52(5) . . . . ? S2 Cu2 S10 Pd5 -2.95(6) . . . . ? S7 Cu2 S10 Pd5 -179.50(4) . . . . ? N11 Pd6 S11 C51 9.62(18) . . . . ? S12 Pd6 S11 C51 -177.92(14) . . . . ? N11 Pd6 S11 Cu8 -118.12(13) . . . . ? S12 Pd6 S11 Cu8 54.35(5) . . . . ? N11 Pd6 S11 Cu5 135.73(13) . . . . ? S12 Pd6 S11 Cu5 -51.80(5) . . . . ? S5 Cu8 S11 C51 67.38(18) . . . . ? S4 Cu8 S11 C51 -121.26(17) . . . . ? S5 Cu8 S11 Pd6 -173.58(4) . . . . ? S4 Cu8 S11 Pd6 -2.22(6) . . . . ? S5 Cu8 S11 Cu5 -54.35(5) . . . . ? S4 Cu8 S11 Cu5 117.01(4) . . . . ? S6 Cu5 S11 C51 -64.04(18) . . . . ? S8 Cu5 S11 C51 108.96(18) . . . . ? Cl1 Cu5 S11 C51 -156.92(17) . . . . ? S6 Cu5 S11 Pd6 179.72(4) . . . . ? S8 Cu5 S11 Pd6 -7.29(7) . . . . ? Cl1 Cu5 S11 Pd6 86.83(5) . . . . ? S6 Cu5 S11 Cu8 57.29(6) . . . . ? S8 Cu5 S11 Cu8 -129.72(5) . . . . ? Cl1 Cu5 S11 Cu8 -35.60(4) . . . . ? S8 Cu6 S12 C56 -123.6(2) . . . . ? S10 Cu6 S12 C56 75.4(2) . . . . ? S8 Cu6 S12 Pd6 -8.97(8) . . . . ? S10 Cu6 S12 Pd6 -169.96(5) . . . . ? S8 Cu6 S12 Cu7 113.44(6) . . . . ? S10 Cu6 S12 Cu7 -47.54(6) . . . . ? N12 Pd6 S12 C56 11.4(2) . . . . ? S11 Pd6 S12 C56 -175.28(18) . . . . ? N12 Pd6 S12 Cu6 -112.52(13) . . . . ? S11 Pd6 S12 Cu6 60.78(6) . . . . ? N12 Pd6 S12 Cu7 138.34(13) . . . . ? S11 Pd6 S12 Cu7 -48.36(6) . . . . ? S9 Cu7 S12 C56 -63.37(17) . . . . ? S4 Cu7 S12 C56 109.16(17) . . . . ? Cl1 Cu7 S12 C56 -159.07(17) . . . . ? S9 Cu7 S12 Cu6 58.36(6) . . . . ? S4 Cu7 S12 Cu6 -129.12(5) . . . . ? Cl1 Cu7 S12 Cu6 -37.35(4) . . . . ? S9 Cu7 S12 Pd6 179.31(5) . . . . ? S4 Cu7 S12 Pd6 -8.17(8) . . . . ? Cl1 Cu7 S12 Pd6 83.60(5) . . . . ? O25 La1 O1 C3 -171(2) . . . . ? O27 La1 O1 C3 128(2) . . . . ? O12 La1 O1 C3 56(2) 2_547 . . . ? O22 La1 O1 C3 -106(2) 2_647 . . . ? O29 La1 O1 C3 -15(2) . . . . ? O28 La1 O1 C3 -42(2) . . . . ? O26 La1 O1 C3 121(2) . . . . ? O41 La2 O6 C13 -153.8(9) . . . . ? O33 La2 O6 C13 -84.3(9) . . . . ? O9 La2 O6 C13 53.6(9) 2_647 . . . ? O15 La2 O6 C13 88.0(10) 1_545 . . . ? O31 La2 O6 C13 -17.5(9) . . . . ? O30 La2 O6 C13 129.7(9) . . . . ? O32 La2 O6 C13 -160.7(10) . . . . ? O16 La2 O6 C13 -12.8(11) 1_545 . . . ? C38 La2 O6 C13 37.6(12) 1_545 . . . ? N2 Pd1 N1 C2 -164.5(3) . . . . ? S1 Pd1 N1 C2 18.7(3) . . . . ? N1 Pd1 N2 C7 -169.6(3) . . . . ? S2 Pd1 N2 C7 14.1(3) . . . . ? N4 Pd2 N3 C12 -176.3(3) . . . . ? S3 Pd2 N3 C12 7.4(3) . . . . ? N3 Pd2 N4 C17 -159.6(3) . . . . ? S4 Pd2 N4 C17 23.8(3) . . . . ? N6 Pd3 N5 C22 -157.5(3) . . . . ? S5 Pd3 N5 C22 27.4(3) . . . . ? N5 Pd3 N6 C27 -173.2(3) . . . . ? S6 Pd3 N6 C27 15.2(3) . . . . ? N8 Pd4 N7 C32 -161.3(3) . . . . ? S7 Pd4 N7 C32 21.6(3) . . . . ? N7 Pd4 N8 C37 -163.1(3) . . . . ? S8 Pd4 N8 C37 22.8(3) . . . . ? N10 Pd5 N9 C42 -172.3(4) . . . . ? S9 Pd5 N9 C42 13.6(4) . . . . ? N9 Pd5 N10 C47 -167.0(4) . . . . ? S10 Pd5 N10 C47 15.8(4) . . . . ? N12 Pd6 N11 C52 -167.3(3) . . . . ? S11 Pd6 N11 C52 19.6(3) . . . . ? N11 Pd6 N12 C57 -168.2(4) . . . . ? S12 Pd6 N12 C57 19.7(4) . . . . ? Cu1 S1 C1 C4 -138.9(3) . . . . ? Pd1 S1 C1 C4 92.0(3) . . . . ? Cu4 S1 C1 C4 -28.7(4) . . . . ? Cu1 S1 C1 C2 98.0(3) . . . . ? Pd1 S1 C1 C2 -31.1(3) . . . . ? Cu4 S1 C1 C2 -151.9(3) . . . . ? Cu1 S1 C1 C5 -19.9(3) . . . . ? Pd1 S1 C1 C5 -149.0(3) . . . . ? Cu4 S1 C1 C5 90.2(3) . . . . ? Pd1 N1 C2 C1 -47.0(4) . . . . ? Pd1 N1 C2 C3 -168.7(3) . . . . ? C4 C1 C2 N1 -71.0(5) . . . . ? C5 C1 C2 N1 164.2(4) . . . . ? S1 C1 C2 N1 50.5(4) . . . . ? C4 C1 C2 C3 52.1(5) . . . . ? C5 C1 C2 C3 -72.6(5) . . . . ? S1 C1 C2 C3 173.7(3) . . . . ? La1 O1 C3 O2 5(3) . . . . ? La1 O1 C3 C2 -167(2) . . . . ? N1 C2 C3 O1 15.7(5) . . . . ? C1 C2 C3 O1 -108.6(5) . . . . ? N1 C2 C3 O2 -157.4(4) . . . . ? C1 C2 C3 O2 78.2(5) . . . . ? Cu2 S2 C6 C7 -163.5(3) . . . . ? Pd1 S2 C6 C7 -44.2(4) . . . . ? Cu3 S2 C6 C7 73.4(4) . . . . ? Cu2 S2 C6 C10 74.0(4) . . . . ? Pd1 S2 C6 C10 -166.8(3) . . . . ? Cu3 S2 C6 C10 -49.1(3) . . . . ? Cu2 S2 C6 C9 -42.5(4) . . . . ? Pd1 S2 C6 C9 76.7(4) . . . . ? Cu3 S2 C6 C9 -165.6(3) . . . . ? Pd1 N2 C7 C8 -165.1(3) . . . . ? Pd1 N2 C7 C6 -47.2(4) . . . . ? C10 C6 C7 N2 176.1(4) . . . . ? C9 C6 C7 N2 -57.9(5) . . . . ? S2 C6 C7 N2 60.0(4) . . . . ? C10 C6 C7 C8 -65.3(6) . . . . ? C9 C6 C7 C8 60.7(5) . . . . ? S2 C6 C7 C8 178.6(4) . . . . ? N2 C7 C8 O3 12.3(7) . . . . ? C6 C7 C8 O3 -104.5(6) . . . . ? N2 C7 C8 O4 -158.9(5) . . . . ? C6 C7 C8 O4 84.3(6) . . . . ? Cu4 S3 C11 C15 76.9(3) . . . . ? Pd2 S3 C11 C15 -165.9(3) . . . . ? Cu3 S3 C11 C15 -47.2(4) . . . . ? Cu4 S3 C11 C12 -160.58(19) . . . . ? Pd2 S3 C11 C12 -43.3(2) . . . . ? Cu3 S3 C11 C12 75.4(2) . . . . ? Cu4 S3 C11 C14 -41.2(3) . . . . ? Pd2 S3 C11 C14 76.0(3) . . . . ? Cu3 S3 C11 C14 -165.3(2) . . . . ? Pd2 N3 C12 C13 -164.1(3) . . . . ? Pd2 N3 C12 C11 -39.9(4) . . . . ? C15 C11 C12 N3 172.3(4) . . . . ? C14 C11 C12 N3 -60.0(4) . . . . ? S3 C11 C12 N3 55.5(3) . . . . ? C15 C11 C12 C13 -62.3(5) . . . . ? C14 C11 C12 C13 65.4(4) . . . . ? S3 C11 C12 C13 -179.1(3) . . . . ? La2 O6 C13 O5 -41.7(13) . . . . ? La2 O6 C13 C12 138.1(7) . . . . ? N3 C12 C13 O6 -143.7(5) . . . . ? C11 C12 C13 O6 91.8(5) . . . . ? N3 C12 C13 O5 36.0(6) . . . . ? C11 C12 C13 O5 -88.4(5) . . . . ? Pd2 S4 C16 C19 86.3(3) . . . . ? Cu8 S4 C16 C19 -141.4(3) . . . . ? Cu7 S4 C16 C19 -35.8(3) . . . . ? Pd2 S4 C16 C20 -148.9(3) . . . . ? Cu8 S4 C16 C20 -16.5(3) . . . . ? Cu7 S4 C16 C20 89.1(3) . . . . ? Pd2 S4 C16 C17 -33.2(3) . . . . ? Cu8 S4 C16 C17 99.2(3) . . . . ? Cu7 S4 C16 C17 -155.3(2) . . . . ? Pd2 N4 C17 C18 -174.6(3) . . . . ? Pd2 N4 C17 C16 -52.7(4) . . . . ? C19 C16 C17 N4 -63.5(5) . . . . ? C20 C16 C17 N4 170.1(4) . . . . ? S4 C16 C17 N4 54.6(4) . . . . ? C19 C16 C17 C18 59.5(5) . . . . ? C20 C16 C17 C18 -66.9(5) . . . . ? S4 C16 C17 C18 177.6(3) . . . . ? N4 C17 C18 O8 -165.1(5) . . . . ? C16 C17 C18 O8 74.1(6) . . . . ? N4 C17 C18 O7 19.7(6) . . . . ? C16 C17 C18 O7 -101.1(5) . . . . ? Cu8 S5 C21 C25 -145.7(3) . . . . ? Pd3 S5 C21 C25 87.6(3) . . . . ? Cu4 S5 C21 C25 -41.0(4) . . . . ? Cu8 S5 C21 C24 -24.8(3) . . . . ? Pd3 S5 C21 C24 -151.4(3) . . . . ? Cu4 S5 C21 C24 79.9(3) . . . . ? Cu8 S5 C21 C22 93.2(3) . . . . ? Pd3 S5 C21 C22 -33.4(3) . . . . ? Cu4 S5 C21 C22 -162.1(2) . . . . ? Pd3 N5 C22 C23 173.6(3) . . . . ? Pd3 N5 C22 C21 -58.8(4) . . . . ? C25 C21 C22 N5 -61.9(5) . . . . ? C24 C21 C22 N5 174.2(4) . . . . ? S5 C21 C22 N5 60.0(4) . . . . ? C25 C21 C22 C23 62.3(5) . . . . ? C24 C21 C22 C23 -61.6(5) . . . . ? S5 C21 C22 C23 -175.8(3) . . . . ? La2 O9 C23 O10 38.3(10) 2_657 . . . ? La2 O9 C23 C22 -132.5(4) 2_657 . . . ? N5 C22 C23 O10 -166.8(6) . . . . ? C21 C22 C23 O10 69.7(7) . . . . ? N5 C22 C23 O9 4.7(6) . . . . ? C21 C22 C23 O9 -118.8(5) . . . . ? Cu1 S6 C26 C27 89.2(3) . . . . ? Pd3 S6 C26 C27 -37.5(3) . . . . ? Cu5 S6 C26 C27 -162.7(2) . . . . ? Cu1 S6 C26 C29 -153.8(2) . . . . ? Pd3 S6 C26 C29 79.5(3) . . . . ? Cu5 S6 C26 C29 -45.7(3) . . . . ? Cu1 S6 C26 C30 -28.2(4) . . . . ? Pd3 S6 C26 C30 -154.9(3) . . . . ? Cu5 S6 C26 C30 79.9(3) . . . . ? Pd3 N6 C27 C26 -45.6(4) . . . . ? Pd3 N6 C27 C28 -168.7(3) . . . . ? C29 C26 C27 N6 -60.7(5) . . . . ? C30 C26 C27 N6 172.0(4) . . . . ? S6 C26 C27 N6 54.6(4) . . . . ? C29 C26 C27 C28 62.4(4) . . . . ? C30 C26 C27 C28 -64.8(4) . . . . ? S6 C26 C27 C28 177.8(3) . . . . ? La1 O12 C28 O11 -120.0(7) 2_557 . . . ? La1 O12 C28 C27 64.1(9) 2_557 . . . ? N6 C27 C28 O11 27.6(6) . . . . ? C26 C27 C28 O11 -95.7(5) . . . . ? N6 C27 C28 O12 -156.1(5) . . . . ? C26 C27 C28 O12 80.6(6) . . . . ? Cu1 S7 C31 C32 90.9(3) . . . . ? Pd4 S7 C31 C32 -32.8(3) . . . . ? Cu2 S7 C31 C32 -162.2(2) . . . . ? Cu1 S7 C31 C35 -29.3(3) . . . . ? Pd4 S7 C31 C35 -153.0(3) . . . . ? Cu2 S7 C31 C35 77.6(3) . . . . ? Cu1 S7 C31 C34 -150.6(3) . . . . ? Pd4 S7 C31 C34 85.7(3) . . . . ? Cu2 S7 C31 C34 -43.7(3) . . . . ? Pd4 N7 C32 C31 -52.9(3) . . . . ? Pd4 N7 C32 C33 -178.2(3) . . . . ? C35 C31 C32 N7 173.1(3) . . . . ? C34 C31 C32 N7 -60.4(4) . . . . ? S7 C31 C32 N7 56.4(3) . . . . ? C35 C31 C32 C33 -62.8(4) . . . . ? C34 C31 C32 C33 63.6(5) . . . . ? S7 C31 C32 C33 -179.6(3) . . . . ? N7 C32 C33 O13 28.8(6) . . . . ? C31 C32 C33 O13 -97.0(5) . . . . ? N7 C32 C33 O14 -149.2(4) . . . . ? C31 C32 C33 O14 85.0(5) . . . . ? Cu6 S8 C36 C39 -147.4(3) . . . . ? Pd4 S8 C36 C39 83.3(3) . . . . ? Cu5 S8 C36 C39 -39.3(4) . . . . ? Cu6 S8 C36 C40 -23.4(4) . . . . ? Pd4 S8 C36 C40 -152.6(3) . . . . ? Cu5 S8 C36 C40 84.7(4) . . . . ? Cu6 S8 C36 C37 91.2(3) . . . . ? Pd4 S8 C36 C37 -38.1(4) . . . . ? Cu5 S8 C36 C37 -160.8(3) . . . . ? Pd4 N8 C37 C38 -167.5(3) . . . . ? Pd4 N8 C37 C36 -53.0(4) . . . . ? C39 C36 C37 N8 -65.4(5) . . . . ? C40 C36 C37 N8 169.4(4) . . . . ? S8 C36 C37 N8 57.4(4) . . . . ? C39 C36 C37 C38 49.2(6) . . . . ? C40 C36 C37 C38 -76.0(6) . . . . ? S8 C36 C37 C38 172.0(4) . . . . ? La2 O16 C38 O15 -1.2(5) 1_565 . . . ? La2 O16 C38 C37 -174.4(4) 1_565 . . . ? La2 O15 C38 O16 1.2(5) 1_565 . . . ? La2 O15 C38 C37 174.5(4) 1_565 . . . ? N8 C37 C38 O16 -175.1(5) . . . . ? C36 C37 C38 O16 72.1(6) . . . . ? N8 C37 C38 O15 11.5(6) . . . . ? C36 C37 C38 O15 -101.3(5) . . . . ? Cu7 S9 C41 C45 -43.5(3) . . . . ? Pd5 S9 C41 C45 74.0(3) . . . . ? Cu3 S9 C41 C45 -165.3(3) . . . . ? Cu7 S9 C41 C44 78.1(3) . . . . ? Pd5 S9 C41 C44 -164.4(3) . . . . ? Cu3 S9 C41 C44 -43.6(3) . . . . ? Cu7 S9 C41 C42 -161.1(3) . . . . ? Pd5 S9 C41 C42 -43.6(4) . . . . ? Cu3 S9 C41 C42 77.1(4) . . . . ? Pd5 N9 C42 C43 -170.4(4) . . . . ? Pd5 N9 C42 C41 -47.4(5) . . . . ? C45 C41 C42 N9 -59.5(6) . . . . ? C44 C41 C42 N9 178.9(4) . . . . ? S9 C41 C42 N9 60.3(5) . . . . ? C45 C41 C42 C43 60.5(7) . . . . ? C44 C41 C42 C43 -61.2(6) . . . . ? S9 C41 C42 C43 -179.8(4) . . . . ? N9 C42 C43 O17 19.3(8) . . . . ? C41 C42 C43 O17 -101.2(7) . . . . ? N9 C42 C43 O18 -162.2(6) . . . . ? C41 C42 C43 O18 77.3(8) . . . . ? Cu6 S10 C46 C47 92.7(4) . . . . ? Pd5 S10 C46 C47 -33.4(4) . . . . ? Cu2 S10 C46 C47 -153.7(3) . . . . ? Cu6 S10 C46 C50 -30.9(5) . . . . ? Pd5 S10 C46 C50 -157.0(4) . . . . ? Cu2 S10 C46 C50 82.7(5) . . . . ? Cu6 S10 C46 C49 -149.6(3) . . . . ? Pd5 S10 C46 C49 84.3(4) . . . . ? Cu2 S10 C46 C49 -36.0(4) . . . . ? Pd5 N10 C47 C46 -43.3(5) . . . . ? Pd5 N10 C47 C48 -172.4(4) . . . . ? C50 C46 C47 N10 172.3(4) . . . . ? C49 C46 C47 N10 -66.7(5) . . . . ? S10 C46 C47 N10 50.0(5) . . . . ? C50 C46 C47 C48 -59.0(6) . . . . ? C49 C46 C47 C48 61.9(7) . . . . ? S10 C46 C47 C48 178.6(4) . . . . ? N10 C47 C48 O19 26.4(9) . . . . ? C46 C47 C48 O19 -101.7(8) . . . . ? N10 C47 C48 O20 -150.1(6) . . . . ? C46 C47 C48 O20 81.9(7) . . . . ? Pd6 S11 C51 C54 84.1(4) . . . . ? Cu8 S11 C51 C54 -147.1(3) . . . . ? Cu5 S11 C51 C54 -40.2(4) . . . . ? Pd6 S11 C51 C55 -151.8(4) . . . . ? Cu8 S11 C51 C55 -23.0(4) . . . . ? Cu5 S11 C51 C55 83.8(4) . . . . ? Pd6 S11 C51 C52 -37.5(3) . . . . ? Cu8 S11 C51 C52 91.3(3) . . . . ? Cu5 S11 C51 C52 -161.9(3) . . . . ? C54 C51 C52 C53 55.7(6) . . . . ? C55 C51 C52 C53 -66.0(6) . . . . ? S11 C51 C52 C53 177.4(4) . . . . ? C54 C51 C52 N11 -64.7(5) . . . . ? C55 C51 C52 N11 173.6(4) . . . . ? S11 C51 C52 N11 57.0(5) . . . . ? Pd6 N11 C52 C53 -177.5(3) . . . . ? Pd6 N11 C52 C51 -50.4(5) . . . . ? La1 O22 C53 O21 -46.1(8) 2_657 . . . ? La1 O22 C53 C52 139.1(5) 2_657 . . . ? C51 C52 C53 O22 74.6(7) . . . . ? N11 C52 C53 O22 -163.9(6) . . . . ? C51 C52 C53 O21 -100.0(7) . . . . ? N11 C52 C53 O21 21.5(8) . . . . ? Cu6 S12 C56 C57 82.9(3) . . . . ? Pd6 S12 C56 C57 -40.7(3) . . . . ? Cu7 S12 C56 C57 -167.4(2) . . . . ? Cu6 S12 C56 C60 -151.6(3) . . . . ? Pd6 S12 C56 C60 84.9(4) . . . . ? Cu7 S12 C56 C60 -41.8(4) . . . . ? Cu6 S12 C56 C59 -42.2(5) . . . . ? Pd6 S12 C56 C59 -165.7(4) . . . . ? Cu7 S12 C56 C59 67.6(5) . . . . ? Pd6 N12 C57 C58A -179.7(7) . . . . ? Pd6 N12 C57 C56 -51.7(5) . . . . ? Pd6 N12 C57 C58B -158.7(7) . . . . ? C60 C56 C57 C58A 56.3(9) . . . . ? C59 C56 C57 C58A -63.4(8) . . . . ? S12 C56 C57 C58A 177.0(6) . . . . ? C60 C56 C57 N12 -61.3(7) . . . . ? C59 C56 C57 N12 179.0(5) . . . . ? S12 C56 C57 N12 59.4(5) . . . . ? C60 C56 C57 C58B 59.4(7) . . . . ? C59 C56 C57 C58B -60.3(7) . . . . ? S12 C56 C57 C58B -180.0(5) . . . . ? N12 C57 C58A O23A 17.4(14) . . . . ? C56 C57 C58A O23A -101.3(12) . . . . ? C58B C57 C58A O23A -109(2) . . . . ? N12 C57 C58A O24A -132.6(8) . . . . ? C56 C57 C58A O24A 108.7(9) . . . . ? C58B C57 C58A O24A 101.2(18) . . . . ? C58A C57 C58B O24B -110(2) . . . . ? N12 C57 C58B O24B -171.0(11) . . . . ? C56 C57 C58B O24B 76.8(13) . . . . ? C58A C57 C58B O23B 63.9(16) . . . . ? N12 C57 C58B O23B 2.7(13) . . . . ? C56 C57 C58B O23B -109.5(9) . . . . ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O24A H110 O17 0.84 1.67 2.492(11) 166.1 2_656 O24A H110 O18 0.84 2.39 3.045(11) 134.8 2_656 O24B H111 O18 0.84 1.77 2.499(10) 144.3 2_656 N1 H1 O7 0.92 2.26 3.169(4) 171.9 1_455 N1 H2 O25 0.92 2.57 3.464(13) 164.2 . N2 H3 Cl3 0.92 2.30 3.171(7) 157.5 . N3 H5 O45 0.92 1.93 2.850(12) 178.6 . N3 H6 O11 0.92 2.22 2.992(4) 141.1 2_647 N4 H7 O11 0.92 2.08 2.945(5) 156.4 2_647 N4 H8 O38 0.92 2.22 3.117(8) 165.9 . N5 H9 O5 0.92 1.93 2.794(5) 155.4 2_657 N5 H10 O35 0.92 2.12 2.965(7) 152.9 2_647 N6 H11 O36 0.92 2.25 3.134(8) 160.2 2_657 N6 H12 O5 0.92 2.15 2.817(4) 128.5 2_657 N7 H14 O55 0.92 2.39 3.310(11) 176.5 1_455 N8 H16 O40 0.92 2.43 3.327(8) 164.8 . N9 H18 O47 0.92 2.29 3.133(11) 152.0 . N10 H19 O48 0.92 2.52 3.294(12) 142.4 . N10 H20 O52 0.92 2.09 2.966(11) 159.6 . N11 H21 O14 0.92 2.07 2.862(6) 144.1 1_655 N11 H22 O44A 0.92 2.11 3.006(9) 164.1 . N12 H23 O50A 0.92 2.12 2.982(12) 155.0 . N12 H23 O44B 0.92 2.37 3.238(14) 156.9 . N12 H24 O13 0.92 2.37 3.072(5) 133.0 1_655 O24A H110 O17 0.84 1.67 2.492(11) 166.1 2_656 O24A H110 O18 0.84 2.39 3.045(11) 134.8 2_656 O24B H111 O18 0.84 1.77 2.499(10) 144.3 2_656 N1 H1 O8 0.92 2.34 3.018(5) 130.4 1_455 O24A H110 O17 0.84 1.67 2.492(11) 166.1 2_656 O24A H110 O18 0.84 2.39 3.045(11) 134.8 2_656 O24B H111 O18 0.84 1.77 2.499(10) 144.3 2_656 O24A H110 O17 0.84 1.67 2.492(11) 166.1 2_656 O24A H110 O18 0.84 2.39 3.045(11) 134.8 2_656 O24B H111 O18 0.84 1.77 2.499(10) 144.3 2_656 _diffrn_measured_fraction_theta_max 0.969 _diffrn_reflns_theta_full 27.41 _diffrn_measured_fraction_theta_full 0.969 _refine_diff_density_max 4.065 _refine_diff_density_min -4.537 _refine_diff_density_rms 0.261 _publ_section_references ; Wakita, K. (2001). Yadokari-XG. Software for Crystal Structure Analyses. Release of Software (Yadokari-XG 2009) for Crystal Structure Analyses, Kabuto, C., Akine, S., Nemoto, T. & Kwon, E. (2009). \nJ. Cryst. Soc. Jpn. 51, 218-224. ; _chemical_absolute_configuration rm #===END