# Supplementary Material (ESI) for Dalton Transactions # This journal is (c) The Royal Society of Chemistry 2009 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 _journal_volume ? _journal_page_first ? _journal_year ? _publ_contact_author_name 'Damir Safin' _publ_contact_author_email DAMIR.SAFIN@KSU.RU _publ_section_title ; Competitive bulk liquid membrane transport and solvent extraction of some metal ions using RC(S)NHP(X)(OiPr)2 (X = O, S) as ionophores. Formation of the polynuclear complex of [Ag(N?C-NP(S)(OiPr)2)]n ; loop_ _publ_author_name 'Damir Safin' 'Maria G. Babashkina' 'Axel Klein' 'Robert Luckay' 'Helgard G. Raubenheimer' ; Xia Sheng ; 'Christoph Strasser' # Attachment '1.CIF' data_Compound3 _database_code_depnum_ccdc_archive 'CCDC 734213' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C56 H112 Ag8 N16 O16 P8 S8' _chemical_formula_sum 'C56 H112 Ag8 N16 O16 P8 S8' _chemical_formula_weight 2632.82 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' P P 0.1023 0.0942 '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' Ag Ag -0.8971 1.1015 '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 21/c' _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_int_tables_number 14 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 28.204(4) _cell_length_b 14.694(2) _cell_length_c 25.550(4) _cell_angle_alpha 90.00 _cell_angle_beta 112.081(3) _cell_angle_gamma 90.00 _cell_volume 9812(2) _cell_formula_units_Z 4 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max 0.63 _exptl_crystal_size_mid 0.05 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.782 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 5248 _exptl_absorpt_coefficient_mu 1.923 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.3772 _exptl_absorpt_correction_T_max 0.9100 _exptl_absorpt_process_details 'SADABS (Bruker, 2002)' _exptl_special_details ? _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 'Bruker APEX CCD area-detector' _diffrn_measurement_method \w-scans _diffrn_detector_area_resol_mean ? _diffrn_standards_number 0 _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 55455 _diffrn_reflns_av_R_equivalents 0.0657 _diffrn_reflns_av_sigmaI/netI 0.0823 _diffrn_reflns_limit_h_min -35 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_theta_min 1.59 _diffrn_reflns_theta_max 26.50 _reflns_number_total 20165 _reflns_number_gt 13478 _reflns_threshold_expression I>2\s(I) _computing_data_collection 'SMART (Bruker, 2002)' _computing_cell_refinement 'SAINT (Bruker, 2003)' _computing_data_reduction SAINT _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'X-Seed (Barbour, 2001)' _computing_publication_material X-Seed _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^ > 2\s(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^)+(0.0510P)^2^+10.6570P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 20165 _refine_ls_number_parameters 1041 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1187 _refine_ls_R_factor_gt 0.0761 _refine_ls_wR_factor_ref 0.1564 _refine_ls_wR_factor_gt 0.1399 _refine_ls_goodness_of_fit_ref 1.099 _refine_ls_restrained_S_all 1.099 _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 0.40287(2) 0.34210(4) 0.43954(3) 0.03970(17) Uani 1 1 d . . . Ag2 Ag 0.54148(2) 0.41842(4) 0.53759(3) 0.04045(17) Uani 1 1 d . . . Ag3 Ag 0.66422(2) 0.39338(4) 0.68936(3) 0.0492(2) Uani 1 1 d . . . Ag4 Ag 0.71696(2) 0.58981(4) 0.69236(3) 0.03763(16) Uani 1 1 d . . . Ag5 Ag 0.78566(2) 0.41257(4) 0.80956(3) 0.04018(17) Uani 1 1 d . . . Ag6 Ag 0.84180(2) 0.61676(4) 0.80586(3) 0.04954(19) Uani 1 1 d . . . Ag7 Ag 0.95776(3) 0.58532(4) 0.95587(3) 0.04366(18) Uani 1 1 d . . . Ag8 Ag 0.89772(3) 0.36956(4) 0.94917(3) 0.04176(17) Uani 1 1 d . . . S1 S 0.37492(7) 0.50393(12) 0.44368(7) 0.0288(4) Uani 1 1 d . . . S2 S 0.49430(7) 0.28495(12) 0.47677(8) 0.0291(4) Uani 1 1 d . . . S3 S 0.62857(7) 0.56349(12) 0.68384(7) 0.0278(4) Uani 1 1 d . . . S4 S 0.79743(8) 0.65885(13) 0.69844(8) 0.0373(5) Uani 1 1 d . . . S5 S 0.87381(7) 0.44443(12) 0.82018(8) 0.0306(4) Uani 1 1 d . . . S6 S 0.70404(8) 0.34029(15) 0.79480(10) 0.0479(6) Uani 1 1 d . . . S7 S 0.87121(7) 0.53202(12) 0.94533(8) 0.0299(4) Uani 1 1 d . . . S8 S 0.98366(7) 0.28641(13) 0.98551(8) 0.0352(5) Uani 1 1 d . . . P1 P 0.36179(7) 0.51682(13) 0.51495(8) 0.0287(4) Uani 1 1 d . . . P2 P 0.48955(7) 0.20286(12) 0.53731(8) 0.0258(4) Uani 1 1 d . . . P3 P 0.62697(7) 0.60936(13) 0.75690(8) 0.0251(4) Uani 1 1 d . . . P4 P 0.78274(8) 0.78792(14) 0.71160(9) 0.0382(5) Uani 1 1 d . . . P5 P 0.87758(7) 0.38683(13) 0.75128(8) 0.0280(4) Uani 1 1 d . . . P6 P 0.72319(9) 0.21099(16) 0.78978(10) 0.0440(6) Uani 1 1 d . . . P7 P 0.86399(7) 0.56050(13) 1.01888(8) 0.0281(4) Uani 1 1 d . . . P8 P 0.97179(7) 0.21428(13) 1.04579(8) 0.0306(5) Uani 1 1 d . . . O1 O 0.3196(2) 0.4492(4) 0.5158(2) 0.0501(16) Uani 1 1 d . . . O2 O 0.3370(2) 0.6110(4) 0.5159(3) 0.0540(17) Uani 1 1 d . . . O3 O 0.44564(19) 0.2452(3) 0.55330(19) 0.0315(12) Uani 1 1 d . . . O4 O 0.47395(18) 0.1025(3) 0.5170(2) 0.0317(12) Uani 1 1 d . . . O5 O 0.61490(19) 0.7133(3) 0.75344(19) 0.0302(12) Uani 1 1 d . . . O6 O 0.58019(18) 0.5687(3) 0.7678(2) 0.0308(12) Uani 1 1 d . . . O7 O 0.8313(2) 0.8489(4) 0.7260(2) 0.0483(15) Uani 1 1 d . . . O8 O 0.7733(2) 0.7902(4) 0.7685(2) 0.0509(16) Uani 1 1 d . . . O9 O 0.92678(18) 0.4183(3) 0.7420(2) 0.0353(13) Uani 1 1 d . . . O10 O 0.88641(17) 0.2815(3) 0.75999(19) 0.0286(11) Uani 1 1 d . . . O11 O 0.7364(4) 0.2000(6) 0.7371(4) 0.140(5) Uani 1 1 d . . . O12 O 0.6761(2) 0.1462(4) 0.7763(2) 0.0474(15) Uani 1 1 d . . . O13 O 0.84733(18) 0.6625(3) 1.0190(2) 0.0359(13) Uani 1 1 d . . . O14 O 0.81788(19) 0.5088(4) 1.0245(2) 0.0383(13) Uani 1 1 d . . . O15 O 0.9259(2) 0.2660(4) 1.0540(2) 0.0461(15) Uani 1 1 d . . . O16 O 0.9542(2) 0.1145(4) 1.0272(2) 0.0450(15) Uani 1 1 d . . . N1 N 0.4089(3) 0.5007(5) 0.5727(3) 0.053(2) Uani 1 1 d . . . N2 N 0.4973(3) 0.4821(5) 0.5835(3) 0.0424(17) Uani 1 1 d . . . N3 N 0.5407(2) 0.1852(4) 0.5898(3) 0.0389(16) Uani 1 1 d . . . N4 N 0.6056(3) 0.3011(4) 0.6355(3) 0.0447(18) Uani 1 1 d . . . N5 N 0.6757(2) 0.5924(4) 0.8132(2) 0.0337(15) Uani 1 1 d . . . N6 N 0.7645(2) 0.5788(4) 0.8194(3) 0.0384(16) Uani 1 1 d . . . N7 N 0.6604(3) 0.7572(5) 0.5995(3) 0.054(2) Uani 1 1 d . . . N8 N 0.7384(3) 0.8357(4) 0.6604(3) 0.0466(18) Uani 1 1 d . . . N9 N 0.7410(3) 0.4274(4) 0.6777(3) 0.0388(16) Uani 1 1 d . . . N10 N 0.8315(2) 0.4015(4) 0.6925(3) 0.0366(16) Uani 1 1 d . . . N11 N 0.7664(3) 0.1740(5) 0.8449(4) 0.061(2) Uani 1 1 d . . . N12 N 0.8342(3) 0.2687(5) 0.9105(3) 0.055(2) Uani 1 1 d . . . N13 N 0.9112(3) 0.5389(5) 1.0748(3) 0.0433(18) Uani 1 1 d . . . N14 N 0.9963(3) 0.4944(5) 1.0806(3) 0.0460(18) Uani 1 1 d . . . N15 N 1.0193(3) 0.1978(4) 1.1029(3) 0.0446(18) Uani 1 1 d . . . N16 N 1.0927(2) 0.2987(5) 1.1446(3) 0.0416(17) Uani 1 1 d . . . C1 C 0.4549(3) 0.4906(5) 0.5768(3) 0.0348(19) Uani 1 1 d . . . C2 C 0.5742(3) 0.2474(5) 0.6132(3) 0.0312(17) Uani 1 1 d . . . C3 C 0.7220(3) 0.5861(5) 0.8144(3) 0.0279(16) Uani 1 1 d . . . C4 C 0.6977(3) 0.7923(5) 0.6290(3) 0.039(2) Uani 1 1 d . . . C5 C 0.7844(3) 0.4142(5) 0.6861(3) 0.0305(17) Uani 1 1 d . . . C6 C 0.8017(3) 0.2255(5) 0.8783(4) 0.043(2) Uani 1 1 d . . . C7 C 0.9555(3) 0.5153(5) 1.0764(3) 0.0291(17) Uani 1 1 d . . . C8 C 1.0568(3) 0.2537(5) 1.1240(3) 0.0326(18) Uani 1 1 d . . . C9 C 0.2720(4) 0.4300(7) 0.4675(5) 0.065(3) Uani 1 1 d . . . H39 H 0.2779 0.4406 0.4317 0.078 Uiso 1 1 calc R . . C10 C 0.3573(4) 0.6956(6) 0.5071(4) 0.063(3) Uani 1 1 d . . . H18A H 0.3887 0.6835 0.4989 0.076 Uiso 1 1 calc R . . C11 C 0.4314(3) 0.2068(6) 0.5988(3) 0.043(2) Uani 1 1 d . . . H20A H 0.4412 0.1411 0.6043 0.051 Uiso 1 1 calc R . . C12 C 0.4236(3) 0.0776(5) 0.4747(3) 0.0344(18) Uani 1 1 d . . . H16 H 0.3984 0.1270 0.4719 0.041 Uiso 1 1 calc R . . C13 C 0.5819(3) 0.7638(5) 0.7026(3) 0.0352(19) Uani 1 1 d . . . H10A H 0.5956 0.7560 0.6721 0.042 Uiso 1 1 calc R . . C14 C 0.5775(3) 0.4710(5) 0.7792(3) 0.041(2) Uani 1 1 d . . . H12 H 0.6088 0.4399 0.7787 0.049 Uiso 1 1 calc R . . C15 C 0.8580(4) 0.8619(6) 0.6883(4) 0.052(2) Uani 1 1 d . . . H26 H 0.8414 0.8254 0.6531 0.062 Uiso 1 1 calc R . . C16 C 0.7570(4) 0.8665(6) 0.7917(4) 0.056(3) Uani 1 1 d . . . H31 H 0.7308 0.9012 0.7604 0.067 Uiso 1 1 calc R . . C17 C 0.9322(3) 0.5115(5) 0.7240(4) 0.043(2) Uani 1 1 d . . . H15 H 0.9004 0.5464 0.7188 0.052 Uiso 1 1 calc R . . C18 C 0.9165(3) 0.2375(5) 0.8137(3) 0.039(2) Uani 1 1 d . . . H14 H 0.9042 0.2587 0.8436 0.046 Uiso 1 1 calc R . . C19 C 0.7369(5) 0.1494(9) 0.7003(5) 0.103(5) Uani 1 1 d . . . H49 H 0.7594 0.1030 0.7267 0.123 Uiso 1 1 calc R . . C20 C 0.6474(4) 0.1392(7) 0.8119(5) 0.065(3) Uani 1 1 d . . . H27 H 0.6577 0.1881 0.8412 0.078 Uiso 1 1 calc R . . C21 C 0.8824(3) 0.7357(5) 1.0162(4) 0.040(2) Uani 1 1 d . . . H22 H 0.9155 0.7082 1.0182 0.048 Uiso 1 1 calc R . . C22 C 0.7648(3) 0.5226(6) 0.9839(4) 0.057(3) Uani 1 1 d . . . H37 H 0.7639 0.5729 0.9572 0.068 Uiso 1 1 calc R . . C23 C 0.9048(4) 0.2414(7) 1.0954(4) 0.058(3) Uani 1 1 d . . . H38 H 0.9083 0.1741 1.1016 0.069 Uiso 1 1 calc R . . C24 C 0.9147(3) 0.0914(6) 0.9719(4) 0.054(3) Uani 1 1 d . . . H24 H 0.9051 0.1465 0.9472 0.064 Uiso 1 1 calc R . . C25 C 0.2595(4) 0.3342(7) 0.4706(5) 0.085(4) Uani 1 1 d . . . H48A H 0.2865 0.2960 0.4667 0.128 Uiso 1 1 calc R . . H48B H 0.2269 0.3201 0.4400 0.128 Uiso 1 1 calc R . . H48C H 0.2568 0.3221 0.5071 0.128 Uiso 1 1 calc R . . C26 C 0.2320(5) 0.4918(9) 0.4692(8) 0.162(8) Uani 1 1 d . . . H55A H 0.2008 0.4823 0.4357 0.243 Uiso 1 1 calc R . . H55B H 0.2435 0.5549 0.4700 0.243 Uiso 1 1 calc R . . H55C H 0.2248 0.4796 0.5032 0.243 Uiso 1 1 calc R . . C27 C 0.3206(5) 0.7449(8) 0.4596(5) 0.107(5) Uani 1 1 d . . . H52A H 0.3148 0.7113 0.4246 0.161 Uiso 1 1 calc R . . H52B H 0.3342 0.8054 0.4571 0.161 Uiso 1 1 calc R . . H52C H 0.2883 0.7510 0.4652 0.161 Uiso 1 1 calc R . . C28 C 0.3726(5) 0.7496(8) 0.5617(4) 0.096(4) Uani 1 1 d . . . H51A H 0.3429 0.7562 0.5725 0.144 Uiso 1 1 calc R . . H51B H 0.3847 0.8100 0.5561 0.144 Uiso 1 1 calc R . . H51C H 0.4000 0.7175 0.5917 0.144 Uiso 1 1 calc R . . C29 C 0.3746(4) 0.2158(7) 0.5787(4) 0.068(3) Uani 1 1 d . . . H42A H 0.3653 0.2804 0.5754 0.103 Uiso 1 1 calc R . . H42B H 0.3624 0.1864 0.6057 0.103 Uiso 1 1 calc R . . H42C H 0.3588 0.1865 0.5417 0.103 Uiso 1 1 calc R . . C30 C 0.4598(4) 0.2583(7) 0.6519(3) 0.069(3) Uani 1 1 d . . . H34A H 0.4967 0.2482 0.6630 0.103 Uiso 1 1 calc R . . H34B H 0.4491 0.2370 0.6821 0.103 Uiso 1 1 calc R . . H34C H 0.4524 0.3234 0.6455 0.103 Uiso 1 1 calc R . . C31 C 0.4079(3) -0.0082(5) 0.4962(4) 0.047(2) Uani 1 1 d . . . H19A H 0.4331 -0.0562 0.4997 0.071 Uiso 1 1 calc R . . H19B H 0.3742 -0.0278 0.4696 0.071 Uiso 1 1 calc R . . H19C H 0.4061 0.0034 0.5332 0.071 Uiso 1 1 calc R . . C32 C 0.4283(3) 0.0656(5) 0.4184(3) 0.044(2) Uani 1 1 d . . . H9A H 0.4416 0.1217 0.4083 0.067 Uiso 1 1 calc R . . H9B H 0.3946 0.0518 0.3896 0.067 Uiso 1 1 calc R . . H9C H 0.4519 0.0153 0.4207 0.067 Uiso 1 1 calc R . . C33 C 0.5871(4) 0.8616(5) 0.7206(4) 0.051(2) Uani 1 1 d . . . H25A H 0.5786 0.8681 0.7542 0.077 Uiso 1 1 calc R . . H25B H 0.5639 0.8990 0.6899 0.077 Uiso 1 1 calc R . . H25C H 0.6225 0.8816 0.7294 0.077 Uiso 1 1 calc R . . C34 C 0.5285(3) 0.7284(6) 0.6823(3) 0.043(2) Uani 1 1 d . . . H23A H 0.5283 0.6640 0.6722 0.065 Uiso 1 1 calc R . . H23B H 0.5070 0.7631 0.6492 0.065 Uiso 1 1 calc R . . H23C H 0.5150 0.7346 0.7124 0.065 Uiso 1 1 calc R . . C35 C 0.5324(5) 0.4332(7) 0.7346(4) 0.086(4) Uani 1 1 d . . . H36A H 0.5016 0.4635 0.7350 0.129 Uiso 1 1 calc R . . H36B H 0.5303 0.3678 0.7410 0.129 Uiso 1 1 calc R . . H36C H 0.5351 0.4429 0.6979 0.129 Uiso 1 1 calc R . . C36 C 0.5760(4) 0.4632(6) 0.8370(4) 0.075(3) Uani 1 1 d . . . H43A H 0.5461 0.4960 0.8381 0.112 Uiso 1 1 calc R . . H43B H 0.6072 0.4896 0.8648 0.112 Uiso 1 1 calc R . . H43C H 0.5737 0.3989 0.8459 0.112 Uiso 1 1 calc R . . C37 C 0.8554(5) 0.9598(7) 0.6747(5) 0.089(4) Uani 1 1 d . . . H32A H 0.8195 0.9783 0.6564 0.133 Uiso 1 1 calc R . . H32B H 0.8733 0.9713 0.6491 0.133 Uiso 1 1 calc R . . H32C H 0.8716 0.9949 0.7095 0.133 Uiso 1 1 calc R . . C38 C 0.9122(4) 0.8314(9) 0.7186(6) 0.104(4) Uani 1 1 d . . . H53A H 0.9279 0.8668 0.7533 0.156 Uiso 1 1 calc R . . H53B H 0.9315 0.8407 0.6942 0.156 Uiso 1 1 calc R . . H53C H 0.9127 0.7666 0.7280 0.156 Uiso 1 1 calc R . . C39 C 0.8009(4) 0.9285(6) 0.8224(4) 0.068(3) Uani 1 1 d . . . H29A H 0.8269 0.8948 0.8529 0.102 Uiso 1 1 calc R . . H29B H 0.7887 0.9798 0.8383 0.102 Uiso 1 1 calc R . . H29C H 0.8159 0.9513 0.7960 0.102 Uiso 1 1 calc R . . C40 C 0.7323(4) 0.8286(7) 0.8304(4) 0.063(3) Uani 1 1 d . . . H28A H 0.7036 0.7891 0.8087 0.094 Uiso 1 1 calc R . . H28B H 0.7196 0.8789 0.8468 0.094 Uiso 1 1 calc R . . H28C H 0.7575 0.7935 0.8607 0.094 Uiso 1 1 calc R . . C41 C 0.9381(5) 0.5051(7) 0.6679(4) 0.098(5) Uani 1 1 d . . . H47A H 0.9656 0.4622 0.6708 0.147 Uiso 1 1 calc R . . H47B H 0.9465 0.5652 0.6572 0.147 Uiso 1 1 calc R . . H47C H 0.9060 0.4837 0.6391 0.147 Uiso 1 1 calc R . . C42 C 0.9757(4) 0.5552(7) 0.7688(4) 0.069(3) Uani 1 1 d . . . H11A H 0.9708 0.5511 0.8047 0.104 Uiso 1 1 calc R . . H11B H 0.9776 0.6193 0.7593 0.104 Uiso 1 1 calc R . . H11C H 1.0075 0.5242 0.7722 0.104 Uiso 1 1 calc R . . C43 C 0.9058(4) 0.1379(6) 0.8033(4) 0.073(3) Uani 1 1 d . . . H44A H 0.8691 0.1269 0.7926 0.110 Uiso 1 1 calc R . . H44B H 0.9249 0.1039 0.8378 0.110 Uiso 1 1 calc R . . H44C H 0.9163 0.1177 0.7728 0.110 Uiso 1 1 calc R . . C44 C 0.9718(3) 0.2604(6) 0.8307(4) 0.057(3) Uani 1 1 d . . . H13A H 0.9826 0.2478 0.7992 0.086 Uiso 1 1 calc R . . H13B H 0.9920 0.2234 0.8634 0.086 Uiso 1 1 calc R . . H13C H 0.9770 0.3250 0.8406 0.086 Uiso 1 1 calc R . . C45 C 0.7728(4) 0.1697(6) 0.6725(4) 0.060(3) Uani 1 1 d . . . H1A H 0.7552 0.2044 0.6379 0.090 Uiso 1 1 calc R . . H1B H 0.7858 0.1126 0.6631 0.090 Uiso 1 1 calc R . . H1C H 0.8015 0.2055 0.6980 0.090 Uiso 1 1 calc R . . C46 C 0.6952(4) 0.0839(6) 0.6701(4) 0.067(3) Uani 1 1 d . . . H3A H 0.6766 0.0680 0.6944 0.100 Uiso 1 1 calc R . . H3B H 0.7100 0.0287 0.6609 0.100 Uiso 1 1 calc R . . H3C H 0.6716 0.1119 0.6353 0.100 Uiso 1 1 calc R . . C47 C 0.6579(6) 0.0490(8) 0.8385(5) 0.112(5) Uani 1 1 d . . . H46A H 0.6471 0.0019 0.8093 0.167 Uiso 1 1 calc R . . H46B H 0.6390 0.0419 0.8636 0.167 Uiso 1 1 calc R . . H46C H 0.6947 0.0430 0.8606 0.167 Uiso 1 1 calc R . . C48 C 0.5926(5) 0.1503(10) 0.7737(8) 0.158(8) Uani 1 1 d . . . H56A H 0.5872 0.2118 0.7577 0.236 Uiso 1 1 calc R . . H56B H 0.5707 0.1408 0.7953 0.236 Uiso 1 1 calc R . . H56C H 0.5840 0.1055 0.7431 0.236 Uiso 1 1 calc R . . C49 C 0.8581(4) 0.7839(6) 0.9614(4) 0.062(3) Uani 1 1 d . . . H30A H 0.8521 0.7407 0.9303 0.094 Uiso 1 1 calc R . . H30B H 0.8808 0.8326 0.9586 0.094 Uiso 1 1 calc R . . H30C H 0.8255 0.8100 0.9591 0.094 Uiso 1 1 calc R . . C50 C 0.8919(3) 0.7958(6) 1.0671(4) 0.059(3) Uani 1 1 d . . . H33A H 0.9164 0.8436 1.0679 0.089 Uiso 1 1 calc R . . H33B H 0.9059 0.7591 1.1016 0.089 Uiso 1 1 calc R . . H33C H 0.8597 0.8237 1.0649 0.089 Uiso 1 1 calc R . . C51 C 0.7351(4) 0.5493(9) 1.0187(6) 0.110(5) Uani 1 1 d . . . H54A H 0.7377 0.5012 1.0462 0.166 Uiso 1 1 calc R . . H54B H 0.6992 0.5582 0.9942 0.166 Uiso 1 1 calc R . . H54C H 0.7490 0.6061 1.0387 0.166 Uiso 1 1 calc R . . C52 C 0.7467(4) 0.4358(8) 0.9518(5) 0.092(4) Uani 1 1 d . . . H50A H 0.7624 0.4291 0.9237 0.138 Uiso 1 1 calc R . . H50B H 0.7094 0.4373 0.9327 0.138 Uiso 1 1 calc R . . H50C H 0.7566 0.3842 0.9781 0.138 Uiso 1 1 calc R . . C53 C 0.8496(4) 0.2649(7) 1.0701(4) 0.070(3) Uani 1 1 d . . . H40A H 0.8457 0.3312 1.0681 0.106 Uiso 1 1 calc R . . H40B H 0.8321 0.2398 1.0935 0.106 Uiso 1 1 calc R . . H40C H 0.8346 0.2392 1.0320 0.106 Uiso 1 1 calc R . . C54 C 0.9329(4) 0.2884(7) 1.1501(4) 0.076(3) Uani 1 1 d . . . H41A H 0.9695 0.2744 1.1627 0.114 Uiso 1 1 calc R . . H41B H 0.9199 0.2674 1.1786 0.114 Uiso 1 1 calc R . . H41C H 0.9279 0.3543 1.1450 0.114 Uiso 1 1 calc R . . C55 C 0.8690(4) 0.0560(7) 0.9828(4) 0.069(3) Uani 1 1 d . . . H45A H 0.8796 0.0048 1.0093 0.104 Uiso 1 1 calc R . . H45B H 0.8428 0.0356 0.9472 0.104 Uiso 1 1 calc R . . H45C H 0.8551 0.1046 0.9991 0.104 Uiso 1 1 calc R . . C56 C 0.9367(4) 0.0203(7) 0.9461(4) 0.067(3) Uani 1 1 d . . . H35A H 0.9674 0.0443 0.9415 0.101 Uiso 1 1 calc R . . H35B H 0.9114 0.0032 0.9090 0.101 Uiso 1 1 calc R . . H35C H 0.9459 -0.0334 0.9706 0.101 Uiso 1 1 calc R . . 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 0.0346(4) 0.0389(3) 0.0394(4) 0.0020(3) 0.0069(3) 0.0043(3) Ag2 0.0393(4) 0.0390(3) 0.0462(4) 0.0006(3) 0.0196(3) -0.0054(3) Ag3 0.0301(4) 0.0376(4) 0.0575(5) 0.0019(3) -0.0090(3) -0.0077(3) Ag4 0.0356(4) 0.0398(3) 0.0399(4) -0.0043(3) 0.0168(3) -0.0064(3) Ag5 0.0357(4) 0.0439(4) 0.0395(4) -0.0026(3) 0.0124(3) -0.0065(3) Ag6 0.0319(4) 0.0423(4) 0.0534(4) 0.0064(3) -0.0080(3) -0.0079(3) Ag7 0.0385(4) 0.0457(4) 0.0525(4) 0.0022(3) 0.0236(3) -0.0007(3) Ag8 0.0449(4) 0.0352(3) 0.0379(4) 0.0002(3) 0.0072(3) 0.0045(3) S1 0.0307(11) 0.0316(10) 0.0234(10) -0.0025(8) 0.0094(9) -0.0027(8) S2 0.0257(10) 0.0329(10) 0.0273(10) 0.0016(8) 0.0082(9) -0.0032(8) S3 0.0260(10) 0.0339(10) 0.0211(9) -0.0050(8) 0.0061(8) 0.0012(8) S4 0.0291(11) 0.0382(11) 0.0357(11) 0.0029(9) 0.0021(10) -0.0028(9) S5 0.0274(11) 0.0328(10) 0.0263(10) -0.0055(8) 0.0040(9) 0.0020(8) S6 0.0298(12) 0.0473(13) 0.0497(14) 0.0148(11) -0.0045(11) -0.0058(10) S7 0.0280(11) 0.0320(10) 0.0248(10) 0.0002(8) 0.0045(9) -0.0013(8) S8 0.0250(10) 0.0411(11) 0.0346(11) 0.0052(9) 0.0055(9) -0.0062(9) P1 0.0210(10) 0.0398(11) 0.0262(10) -0.0006(9) 0.0098(9) -0.0007(9) P2 0.0222(10) 0.0258(10) 0.0229(10) -0.0008(8) 0.0010(8) -0.0022(8) P3 0.0181(10) 0.0343(11) 0.0203(9) -0.0021(8) 0.0042(8) -0.0006(8) P4 0.0317(12) 0.0377(12) 0.0373(12) -0.0039(10) 0.0038(10) -0.0092(10) P5 0.0186(10) 0.0336(11) 0.0273(10) -0.0007(8) 0.0034(9) 0.0025(8) P6 0.0413(14) 0.0484(13) 0.0391(13) -0.0164(11) 0.0113(12) -0.0210(11) P7 0.0178(10) 0.0380(11) 0.0268(10) 0.0016(9) 0.0063(9) 0.0029(8) P8 0.0210(10) 0.0363(11) 0.0285(11) 0.0009(9) 0.0026(9) -0.0066(9) O1 0.042(4) 0.072(4) 0.042(4) 0.005(3) 0.021(3) -0.012(3) O2 0.069(5) 0.048(4) 0.062(4) 0.006(3) 0.045(4) 0.010(3) O3 0.038(3) 0.031(3) 0.026(3) 0.001(2) 0.013(3) -0.007(2) O4 0.021(3) 0.026(3) 0.034(3) -0.004(2) -0.005(2) -0.004(2) O5 0.034(3) 0.032(3) 0.021(3) -0.004(2) 0.007(2) -0.004(2) O6 0.024(3) 0.038(3) 0.031(3) -0.003(2) 0.012(2) -0.006(2) O7 0.047(4) 0.050(4) 0.047(4) -0.010(3) 0.017(3) -0.017(3) O8 0.051(4) 0.052(4) 0.045(4) -0.009(3) 0.013(3) -0.013(3) O9 0.024(3) 0.038(3) 0.045(3) 0.005(3) 0.013(3) 0.005(2) O10 0.020(3) 0.035(3) 0.028(3) -0.001(2) 0.005(2) 0.000(2) O11 0.185(10) 0.162(9) 0.133(8) -0.120(7) 0.128(8) -0.139(8) O12 0.041(4) 0.058(4) 0.038(3) -0.009(3) 0.009(3) -0.022(3) O13 0.022(3) 0.039(3) 0.048(3) -0.003(3) 0.015(3) 0.002(2) O14 0.020(3) 0.054(3) 0.038(3) 0.013(3) 0.008(3) -0.002(2) O15 0.039(4) 0.066(4) 0.035(3) 0.005(3) 0.016(3) 0.002(3) O16 0.038(3) 0.039(3) 0.038(3) 0.004(3) -0.008(3) -0.013(3) N1 0.045(5) 0.092(6) 0.026(4) 0.001(4) 0.017(4) 0.016(4) N2 0.031(4) 0.065(5) 0.029(4) -0.010(3) 0.008(3) 0.000(4) N3 0.032(4) 0.029(3) 0.040(4) 0.005(3) -0.004(3) -0.007(3) N4 0.032(4) 0.045(4) 0.038(4) 0.013(3) -0.009(3) -0.011(3) N5 0.026(4) 0.049(4) 0.022(3) 0.001(3) 0.005(3) -0.003(3) N6 0.023(4) 0.046(4) 0.036(4) 0.000(3) 0.000(3) -0.006(3) N7 0.039(5) 0.046(4) 0.053(5) 0.010(4) -0.009(4) 0.004(4) N8 0.044(4) 0.027(4) 0.056(5) -0.001(3) 0.004(4) -0.002(3) N9 0.028(4) 0.038(4) 0.038(4) 0.000(3) -0.002(3) -0.004(3) N10 0.031(4) 0.045(4) 0.031(4) 0.001(3) 0.009(3) 0.011(3) N11 0.043(5) 0.034(4) 0.084(6) -0.003(4) -0.003(5) -0.001(4) N12 0.045(5) 0.046(5) 0.054(5) 0.014(4) -0.005(4) 0.004(4) N13 0.028(4) 0.075(5) 0.026(4) 0.005(3) 0.009(3) 0.015(4) N14 0.024(4) 0.071(5) 0.038(4) -0.002(4) 0.006(3) 0.013(4) N15 0.036(4) 0.044(4) 0.040(4) 0.013(3) -0.002(3) -0.017(3) N16 0.026(4) 0.056(4) 0.038(4) 0.000(3) 0.006(3) -0.007(3) C1 0.038(5) 0.045(5) 0.017(4) -0.003(3) 0.007(4) 0.009(4) C2 0.024(4) 0.033(4) 0.034(4) 0.012(3) 0.007(4) -0.002(3) C3 0.025(4) 0.033(4) 0.019(4) -0.005(3) 0.001(3) -0.008(3) C4 0.036(5) 0.033(4) 0.037(5) 0.006(4) 0.002(4) 0.009(4) C5 0.031(5) 0.028(4) 0.023(4) -0.003(3) 0.000(4) -0.009(3) C6 0.030(5) 0.028(4) 0.057(6) 0.010(4) 0.001(5) 0.005(4) C7 0.032(5) 0.032(4) 0.020(4) 0.002(3) 0.007(4) 0.000(3) C8 0.022(4) 0.045(5) 0.029(4) 0.004(4) 0.008(4) 0.003(4) C9 0.040(6) 0.087(8) 0.073(7) 0.012(6) 0.026(6) -0.010(6) C10 0.100(9) 0.054(6) 0.049(6) 0.006(5) 0.044(6) 0.018(6) C11 0.060(6) 0.045(5) 0.025(4) 0.002(4) 0.017(4) -0.015(4) C12 0.023(4) 0.029(4) 0.038(5) -0.008(3) -0.003(4) 0.000(3) C13 0.030(5) 0.047(5) 0.024(4) 0.000(4) 0.005(4) 0.004(4) C14 0.043(5) 0.046(5) 0.042(5) -0.003(4) 0.025(5) -0.005(4) C15 0.051(6) 0.052(6) 0.060(6) -0.016(5) 0.028(5) -0.016(5) C16 0.061(7) 0.047(5) 0.057(6) -0.015(5) 0.020(6) -0.005(5) C17 0.039(5) 0.038(5) 0.053(6) 0.008(4) 0.017(5) 0.000(4) C18 0.039(5) 0.045(5) 0.029(4) 0.004(4) 0.010(4) 0.013(4) C19 0.093(10) 0.143(12) 0.094(9) -0.083(9) 0.060(8) -0.068(9) C20 0.061(7) 0.060(7) 0.088(8) -0.026(6) 0.046(7) -0.010(5) C21 0.017(4) 0.031(4) 0.071(6) -0.014(4) 0.015(4) 0.003(3) C22 0.031(5) 0.064(6) 0.063(7) 0.027(5) 0.003(5) -0.014(5) C23 0.066(7) 0.061(6) 0.049(6) 0.005(5) 0.025(6) -0.015(5) C24 0.043(6) 0.036(5) 0.052(6) 0.009(4) -0.017(5) -0.011(4) C25 0.054(7) 0.097(9) 0.102(10) -0.014(7) 0.025(7) -0.027(7) C26 0.051(9) 0.103(12) 0.30(2) 0.022(13) 0.029(12) 0.019(8) C27 0.153(14) 0.075(9) 0.076(9) -0.006(7) 0.023(9) 0.013(9) C28 0.124(12) 0.081(9) 0.065(8) -0.015(7) 0.015(8) -0.016(8) C29 0.052(7) 0.103(9) 0.057(7) -0.008(6) 0.027(6) -0.020(6) C30 0.084(8) 0.095(8) 0.029(5) -0.017(5) 0.023(5) -0.033(6) C31 0.039(5) 0.051(5) 0.050(6) -0.005(4) 0.015(5) -0.017(4) C32 0.062(6) 0.037(5) 0.022(4) 0.000(3) 0.002(4) -0.003(4) C33 0.083(7) 0.038(5) 0.042(5) 0.007(4) 0.033(5) 0.012(5) C34 0.036(5) 0.055(5) 0.027(4) 0.004(4) -0.002(4) 0.015(4) C35 0.113(10) 0.088(8) 0.049(6) -0.003(6) 0.021(7) -0.059(8) C36 0.114(10) 0.055(6) 0.043(6) 0.016(5) 0.015(6) -0.029(6) C37 0.155(13) 0.057(7) 0.093(9) -0.008(6) 0.089(10) -0.017(7) C38 0.049(8) 0.133(12) 0.125(12) 0.009(9) 0.027(8) -0.001(7) C39 0.085(8) 0.061(6) 0.065(7) -0.024(5) 0.037(6) -0.031(6) C40 0.059(7) 0.076(7) 0.054(6) -0.032(5) 0.022(6) -0.014(5) C41 0.181(14) 0.072(8) 0.045(6) 0.009(6) 0.048(8) -0.039(8) C42 0.073(8) 0.074(7) 0.050(6) 0.002(5) 0.010(6) -0.033(6) C43 0.093(9) 0.042(6) 0.066(7) 0.016(5) 0.008(7) -0.007(6) C44 0.035(5) 0.072(7) 0.050(6) 0.008(5) 0.000(5) 0.011(5) C45 0.062(7) 0.069(6) 0.059(6) -0.030(5) 0.034(6) -0.011(5) C46 0.091(8) 0.065(7) 0.042(6) -0.020(5) 0.023(6) -0.035(6) C47 0.204(17) 0.084(9) 0.081(9) -0.004(7) 0.092(11) -0.039(10) C48 0.049(9) 0.137(14) 0.28(2) -0.014(14) 0.048(12) -0.014(9) C49 0.096(9) 0.038(5) 0.061(7) -0.004(5) 0.039(6) 0.002(5) C50 0.041(6) 0.055(6) 0.062(6) -0.020(5) -0.003(5) 0.009(5) C51 0.034(6) 0.131(11) 0.165(14) -0.046(10) 0.037(8) 0.015(7) C52 0.040(7) 0.121(11) 0.094(10) -0.020(8) 0.001(7) -0.021(7) C53 0.061(7) 0.089(8) 0.075(8) -0.008(6) 0.041(7) -0.004(6) C54 0.104(10) 0.090(8) 0.046(6) -0.009(6) 0.043(7) -0.019(7) C55 0.054(7) 0.060(6) 0.082(8) -0.022(6) 0.014(6) -0.018(5) C56 0.060(7) 0.087(8) 0.043(6) -0.015(5) 0.005(5) -0.026(6) _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 N7 2.229(7) 3_666 ? Ag1 S1 2.5199(19) . ? Ag1 S2 2.533(2) . ? Ag2 N2 2.215(7) . ? Ag2 S1 2.498(2) 3_666 ? Ag2 S2 2.5450(19) . ? Ag3 N4 2.180(7) . ? Ag3 N9 2.347(7) . ? Ag3 S6 2.618(2) . ? Ag3 S3 2.6780(19) . ? Ag3 Ag4 3.2346(9) . ? Ag4 S4 2.437(2) . ? Ag4 S3 2.450(2) . ? Ag4 N9 2.547(6) . ? Ag5 S6 2.433(2) . ? Ag5 S5 2.442(2) . ? Ag5 N6 2.550(7) . ? Ag6 N16 2.191(7) 3_767 ? Ag6 N6 2.399(7) . ? Ag6 S4 2.627(2) . ? Ag6 S5 2.667(2) . ? Ag7 N14 2.197(7) 3_767 ? Ag7 S7 2.480(2) . ? Ag7 S8 2.582(2) 3_767 ? Ag8 N12 2.248(8) . ? Ag8 S7 2.4925(19) . ? Ag8 S8 2.557(2) . ? S1 P1 1.999(3) . ? S1 Ag2 2.498(2) 3_666 ? S2 P2 2.005(3) . ? S3 P3 2.001(2) . ? S4 P4 1.997(3) . ? S5 P5 1.992(3) . ? S6 P6 1.992(3) . ? S7 P7 2.009(3) . ? S8 P8 1.999(3) . ? S8 Ag7 2.582(2) 3_767 ? P1 O1 1.556(6) . ? P1 O2 1.556(6) . ? P1 N1 1.589(7) . ? P2 N3 1.579(6) . ? P2 O3 1.571(5) . ? P2 O4 1.571(5) . ? P3 O5 1.561(5) . ? P3 O6 1.566(5) . ? P3 N5 1.592(6) . ? P4 O7 1.562(6) . ? P4 O8 1.575(6) . ? P4 N8 1.593(7) . ? P5 O9 1.563(5) . ? P5 O10 1.570(5) . ? P5 N10 1.588(6) . ? P6 O11 1.534(7) . ? P6 O12 1.563(6) . ? P6 N11 1.573(8) . ? P7 O14 1.559(5) . ? P7 O13 1.571(5) . ? P7 N13 1.576(7) . ? P8 O16 1.563(5) . ? P8 N15 1.585(7) . ? P8 O15 1.582(6) . ? O1 C9 1.470(11) . ? O2 C10 1.422(11) . ? O3 C11 1.478(8) . ? O4 C12 1.473(8) . ? O5 C13 1.481(8) . ? O6 C14 1.472(9) . ? O7 C15 1.438(10) . ? O8 C16 1.422(10) . ? O9 C17 1.471(9) . ? O10 C18 1.464(8) . ? O11 C19 1.204(11) . ? O12 C20 1.430(10) . ? O13 C21 1.482(9) . ? O14 C22 1.481(10) . ? O15 C23 1.440(10) . ? O16 C24 1.473(9) . ? N1 C1 1.269(10) . ? N2 C1 1.149(9) . ? N3 C2 1.288(9) . ? N4 C2 1.164(9) . ? N5 C3 1.298(9) . ? N6 C3 1.160(9) . ? N7 C4 1.160(10) . ? N7 Ag1 2.229(7) 3_666 ? N8 C4 1.295(10) . ? N9 C5 1.176(9) . ? N10 C5 1.291(10) . ? N11 C6 1.286(11) . ? N12 C6 1.162(10) . ? N13 C7 1.282(9) . ? N14 C7 1.156(9) . ? N14 Ag7 2.197(7) 3_767 ? N15 C8 1.287(10) . ? N16 C8 1.158(9) . ? N16 Ag6 2.191(7) 3_767 ? C9 C26 1.464(15) . ? C9 C25 1.461(13) . ? C9 H39 1.0000 . ? C10 C27 1.457(14) . ? C10 C28 1.519(13) . ? C10 H18A 1.0000 . ? C11 C30 1.496(11) . ? C11 C29 1.494(12) . ? C11 H20A 1.0000 . ? C12 C32 1.503(10) . ? C12 C31 1.507(10) . ? C12 H16 1.0000 . ? C13 C34 1.490(11) . ? C13 C33 1.499(10) . ? C13 H10A 1.0000 . ? C14 C35 1.461(12) . ? C14 C36 1.497(11) . ? C14 H12 1.0000 . ? C15 C37 1.476(12) . ? C15 C38 1.501(14) . ? C15 H26 1.0000 . ? C16 C39 1.499(12) . ? C16 C40 1.514(12) . ? C16 H31 1.0000 . ? C17 C42 1.473(12) . ? C17 C41 1.506(12) . ? C17 H15 1.0000 . ? C18 C44 1.491(11) . ? C18 C43 1.498(11) . ? C18 H14 1.0000 . ? C19 C45 1.470(13) . ? C19 C46 1.491(13) . ? C19 H49 1.0000 . ? C20 C47 1.469(14) . ? C20 C48 1.494(16) . ? C20 H27 1.0000 . ? C21 C49 1.486(11) . ? C21 C50 1.511(11) . ? C21 H22 1.0000 . ? C22 C51 1.483(13) . ? C22 C52 1.498(14) . ? C22 H37 1.0000 . ? C23 C54 1.492(12) . ? C23 C53 1.484(13) . ? C23 H38 1.0000 . ? C24 C56 1.491(13) . ? C24 C55 1.509(12) . ? C24 H24 1.0000 . ? C25 H48A 0.9800 . ? C25 H48B 0.9800 . ? C25 H48C 0.9800 . ? C26 H55A 0.9800 . ? C26 H55B 0.9800 . ? C26 H55C 0.9800 . ? C27 H52A 0.9800 . ? C27 H52B 0.9800 . ? C27 H52C 0.9800 . ? C28 H51A 0.9800 . ? C28 H51B 0.9800 . ? C28 H51C 0.9800 . ? C29 H42A 0.9800 . ? C29 H42B 0.9800 . ? C29 H42C 0.9800 . ? C30 H34A 0.9800 . ? C30 H34B 0.9800 . ? C30 H34C 0.9800 . ? C31 H19A 0.9800 . ? C31 H19B 0.9800 . ? C31 H19C 0.9800 . ? C32 H9A 0.9800 . ? C32 H9B 0.9800 . ? C32 H9C 0.9800 . ? C33 H25A 0.9800 . ? C33 H25B 0.9800 . ? C33 H25C 0.9800 . ? C34 H23A 0.9800 . ? C34 H23B 0.9800 . ? C34 H23C 0.9800 . ? C35 H36A 0.9800 . ? C35 H36B 0.9800 . ? C35 H36C 0.9800 . ? C36 H43A 0.9800 . ? C36 H43B 0.9800 . ? C36 H43C 0.9800 . ? C37 H32A 0.9800 . ? C37 H32B 0.9800 . ? C37 H32C 0.9800 . ? C38 H53A 0.9800 . ? C38 H53B 0.9800 . ? C38 H53C 0.9800 . ? C39 H29A 0.9800 . ? C39 H29B 0.9800 . ? C39 H29C 0.9800 . ? C40 H28A 0.9800 . ? C40 H28B 0.9800 . ? C40 H28C 0.9800 . ? C41 H47A 0.9800 . ? C41 H47B 0.9800 . ? C41 H47C 0.9800 . ? C42 H11A 0.9800 . ? C42 H11B 0.9800 . ? C42 H11C 0.9800 . ? C43 H44A 0.9800 . ? C43 H44B 0.9800 . ? C43 H44C 0.9800 . ? C44 H13A 0.9800 . ? C44 H13B 0.9800 . ? C44 H13C 0.9800 . ? C45 H1A 0.9800 . ? C45 H1B 0.9800 . ? C45 H1C 0.9800 . ? C46 H3A 0.9800 . ? C46 H3B 0.9800 . ? C46 H3C 0.9800 . ? C47 H46A 0.9800 . ? C47 H46B 0.9800 . ? C47 H46C 0.9800 . ? C48 H56A 0.9800 . ? C48 H56B 0.9800 . ? C48 H56C 0.9800 . ? C49 H30A 0.9800 . ? C49 H30B 0.9800 . ? C49 H30C 0.9800 . ? C50 H33A 0.9800 . ? C50 H33B 0.9800 . ? C50 H33C 0.9800 . ? C51 H54A 0.9800 . ? C51 H54B 0.9800 . ? C51 H54C 0.9800 . ? C52 H50A 0.9800 . ? C52 H50B 0.9800 . ? C52 H50C 0.9800 . ? C53 H40A 0.9800 . ? C53 H40B 0.9800 . ? C53 H40C 0.9800 . ? C54 H41A 0.9800 . ? C54 H41B 0.9800 . ? C54 H41C 0.9800 . ? C55 H45A 0.9800 . ? C55 H45B 0.9800 . ? C55 H45C 0.9800 . ? C56 H35A 0.9800 . ? C56 H35B 0.9800 . ? C56 H35C 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 N7 Ag1 S1 115.23(19) 3_666 . ? N7 Ag1 S2 118.77(19) 3_666 . ? S1 Ag1 S2 125.98(6) . . ? N2 Ag2 S1 112.59(18) . 3_666 ? N2 Ag2 S2 112.32(18) . . ? S1 Ag2 S2 135.08(6) 3_666 . ? N4 Ag3 N9 124.7(2) . . ? N4 Ag3 S6 113.21(17) . . ? N9 Ag3 S6 97.73(17) . . ? N4 Ag3 S3 111.49(18) . . ? N9 Ag3 S3 98.08(16) . . ? S6 Ag3 S3 109.86(7) . . ? N4 Ag3 Ag4 143.39(17) . . ? N9 Ag3 Ag4 51.33(16) . . ? S6 Ag3 Ag4 103.06(5) . . ? S3 Ag3 Ag4 47.83(4) . . ? S4 Ag4 S3 164.45(7) . . ? S4 Ag4 N9 96.12(16) . . ? S3 Ag4 N9 99.04(16) . . ? S4 Ag4 Ag3 141.44(5) . . ? S3 Ag4 Ag3 54.10(5) . . ? N9 Ag4 Ag3 46.03(15) . . ? S6 Ag5 S5 164.87(8) . . ? S6 Ag5 N6 100.96(16) . . ? S5 Ag5 N6 94.14(15) . . ? N16 Ag6 N6 131.5(2) 3_767 . ? N16 Ag6 S4 115.95(18) 3_767 . ? N6 Ag6 S4 95.97(16) . . ? N16 Ag6 S5 106.90(18) 3_767 . ? N6 Ag6 S5 92.21(16) . . ? S4 Ag6 S5 111.76(6) . . ? N14 Ag7 S7 119.9(2) 3_767 . ? N14 Ag7 S8 106.53(19) 3_767 3_767 ? S7 Ag7 S8 133.05(7) . 3_767 ? N12 Ag8 S7 115.85(19) . . ? N12 Ag8 S8 109.59(19) . . ? S7 Ag8 S8 134.53(7) . . ? P1 S1 Ag2 105.48(9) . 3_666 ? P1 S1 Ag1 107.20(10) . . ? Ag2 S1 Ag1 98.71(7) 3_666 . ? P2 S2 Ag1 97.77(9) . . ? P2 S2 Ag2 99.42(9) . . ? Ag1 S2 Ag2 101.46(7) . . ? P3 S3 Ag4 104.06(9) . . ? P3 S3 Ag3 113.89(9) . . ? Ag4 S3 Ag3 78.07(5) . . ? P4 S4 Ag4 99.15(10) . . ? P4 S4 Ag6 95.46(10) . . ? Ag4 S4 Ag6 92.00(7) . . ? P5 S5 Ag5 102.15(9) . . ? P5 S5 Ag6 114.21(10) . . ? Ag5 S5 Ag6 83.62(6) . . ? P6 S6 Ag5 99.36(11) . . ? P6 S6 Ag3 103.87(12) . . ? Ag5 S6 Ag3 92.54(8) . . ? P7 S7 Ag7 105.93(10) . . ? P7 S7 Ag8 107.29(9) . . ? Ag7 S7 Ag8 91.70(7) . . ? P8 S8 Ag8 97.05(10) . . ? P8 S8 Ag7 101.31(10) . 3_767 ? Ag8 S8 Ag7 100.04(7) . 3_767 ? O1 P1 O2 102.6(3) . . ? O1 P1 N1 105.6(4) . . ? O2 P1 N1 110.0(4) . . ? O1 P1 S1 110.9(2) . . ? O2 P1 S1 109.7(2) . . ? N1 P1 S1 117.0(3) . . ? N3 P2 O3 113.7(3) . . ? N3 P2 O4 100.3(3) . . ? O3 P2 O4 107.9(3) . . ? N3 P2 S2 116.7(3) . . ? O3 P2 S2 104.5(2) . . ? O4 P2 S2 113.7(2) . . ? O5 P3 O6 101.7(3) . . ? O5 P3 N5 107.5(3) . . ? O6 P3 N5 106.2(3) . . ? O5 P3 S3 111.0(2) . . ? O6 P3 S3 110.7(2) . . ? N5 P3 S3 118.4(2) . . ? O7 P4 O8 102.1(3) . . ? O7 P4 N8 106.8(3) . . ? O8 P4 N8 113.2(4) . . ? O7 P4 S4 111.4(3) . . ? O8 P4 S4 107.1(2) . . ? N8 P4 S4 115.4(3) . . ? O9 P5 O10 102.2(3) . . ? O9 P5 N10 105.9(3) . . ? O10 P5 N10 107.3(3) . . ? O9 P5 S5 110.7(2) . . ? O10 P5 S5 110.6(2) . . ? N10 P5 S5 118.8(2) . . ? O11 P6 O12 102.1(4) . . ? O11 P6 N11 112.8(6) . . ? O12 P6 N11 107.2(4) . . ? O11 P6 S6 108.5(4) . . ? O12 P6 S6 111.5(3) . . ? N11 P6 S6 114.2(3) . . ? O14 P7 O13 101.8(3) . . ? O14 P7 N13 105.6(3) . . ? O13 P7 N13 110.0(3) . . ? O14 P7 S7 111.5(2) . . ? O13 P7 S7 109.6(2) . . ? N13 P7 S7 117.2(3) . . ? O16 P8 N15 101.4(3) . . ? O16 P8 O15 108.0(3) . . ? N15 P8 O15 113.7(4) . . ? O16 P8 S8 112.9(2) . . ? N15 P8 S8 117.5(3) . . ? O15 P8 S8 103.3(2) . . ? C9 O1 P1 124.9(5) . . ? C10 O2 P1 124.4(6) . . ? C11 O3 P2 121.8(5) . . ? C12 O4 P2 123.3(4) . . ? C13 O5 P3 126.3(4) . . ? C14 O6 P3 121.1(5) . . ? C15 O7 P4 123.5(5) . . ? C16 O8 P4 126.5(6) . . ? C17 O9 P5 121.8(5) . . ? C18 O10 P5 125.0(4) . . ? C19 O11 P6 146.0(9) . . ? C20 O12 P6 122.8(5) . . ? C21 O13 P7 119.2(4) . . ? C22 O14 P7 121.8(5) . . ? C23 O15 P8 124.1(6) . . ? C24 O16 P8 123.1(5) . . ? C1 N1 P1 124.6(6) . . ? C1 N2 Ag2 136.8(6) . . ? C2 N3 P2 123.6(5) . . ? C2 N4 Ag3 171.2(6) . . ? C3 N5 P3 123.4(5) . . ? C3 N6 Ag6 156.7(6) . . ? C3 N6 Ag5 110.3(5) . . ? Ag6 N6 Ag5 87.1(2) . . ? C4 N7 Ag1 163.6(7) . 3_666 ? C4 N8 P4 122.1(6) . . ? C5 N9 Ag3 152.6(6) . . ? C5 N9 Ag4 116.4(5) . . ? Ag3 N9 Ag4 82.6(2) . . ? C5 N10 P5 125.3(6) . . ? C6 N11 P6 122.5(6) . . ? C6 N12 Ag8 163.2(7) . . ? C7 N13 P7 124.4(5) . . ? C7 N14 Ag7 145.8(6) . 3_767 ? C8 N15 P8 124.4(6) . . ? C8 N16 Ag6 172.0(6) . 3_767 ? N2 C1 N1 176.6(8) . . ? N4 C2 N3 177.5(9) . . ? N6 C3 N5 175.1(8) . . ? N7 C4 N8 176.7(9) . . ? N9 C5 N10 176.8(8) . . ? N12 C6 N11 176.7(9) . . ? N14 C7 N13 176.8(8) . . ? N16 C8 N15 175.1(9) . . ? C26 C9 C25 113.0(9) . . ? C26 C9 O1 109.1(10) . . ? C25 C9 O1 107.6(9) . . ? C26 C9 H39 109.0 . . ? C25 C9 H39 109.0 . . ? O1 C9 H39 109.0 . . ? O2 C10 C27 111.3(10) . . ? O2 C10 C28 107.7(8) . . ? C27 C10 C28 111.9(9) . . ? O2 C10 H18A 108.6 . . ? C27 C10 H18A 108.6 . . ? C28 C10 H18A 108.6 . . ? O3 C11 C30 108.0(6) . . ? O3 C11 C29 105.6(7) . . ? C30 C11 C29 114.1(8) . . ? O3 C11 H20A 109.7 . . ? C30 C11 H20A 109.7 . . ? C29 C11 H20A 109.7 . . ? O4 C12 C32 108.9(6) . . ? O4 C12 C31 105.9(6) . . ? C32 C12 C31 113.2(6) . . ? O4 C12 H16 109.6 . . ? C32 C12 H16 109.6 . . ? C31 C12 H16 109.6 . . ? O5 C13 C34 110.5(6) . . ? O5 C13 C33 104.7(6) . . ? C34 C13 C33 114.4(7) . . ? O5 C13 H10A 109.0 . . ? C34 C13 H10A 109.0 . . ? C33 C13 H10A 109.0 . . ? C35 C14 O6 108.1(7) . . ? C35 C14 C36 113.6(8) . . ? O6 C14 C36 107.1(6) . . ? C35 C14 H12 109.3 . . ? O6 C14 H12 109.3 . . ? C36 C14 H12 109.3 . . ? O7 C15 C37 107.1(7) . . ? O7 C15 C38 107.7(8) . . ? C37 C15 C38 111.3(9) . . ? O7 C15 H26 110.2 . . ? C37 C15 H26 110.2 . . ? C38 C15 H26 110.2 . . ? O8 C16 C39 111.3(8) . . ? O8 C16 C40 106.4(7) . . ? C39 C16 C40 112.0(8) . . ? O8 C16 H31 109.0 . . ? C39 C16 H31 109.0 . . ? C40 C16 H31 109.0 . . ? C42 C17 O9 108.4(7) . . ? C42 C17 C41 114.3(8) . . ? O9 C17 C41 107.6(7) . . ? C42 C17 H15 108.8 . . ? O9 C17 H15 108.8 . . ? C41 C17 H15 108.8 . . ? O10 C18 C44 110.4(7) . . ? O10 C18 C43 105.0(7) . . ? C44 C18 C43 113.0(8) . . ? O10 C18 H14 109.4 . . ? C44 C18 H14 109.4 . . ? C43 C18 H14 109.4 . . ? O11 C19 C45 117.8(10) . . ? O11 C19 C46 124.3(10) . . ? C45 C19 C46 115.8(9) . . ? O11 C19 H49 94.9 . . ? C45 C19 H49 94.9 . . ? C46 C19 H49 94.9 . . ? O12 C20 C47 107.2(8) . . ? O12 C20 C48 105.7(10) . . ? C47 C20 C48 112.4(11) . . ? O12 C20 H27 110.5 . . ? C47 C20 H27 110.5 . . ? C48 C20 H27 110.5 . . ? O13 C21 C49 108.1(7) . . ? O13 C21 C50 106.8(7) . . ? C49 C21 C50 113.8(7) . . ? O13 C21 H22 109.4 . . ? C49 C21 H22 109.4 . . ? C50 C21 H22 109.4 . . ? C51 C22 O14 105.5(8) . . ? C51 C22 C52 113.7(9) . . ? O14 C22 C52 108.2(8) . . ? C51 C22 H37 109.8 . . ? O14 C22 H37 109.8 . . ? C52 C22 H37 109.8 . . ? O15 C23 C54 110.5(7) . . ? O15 C23 C53 106.1(7) . . ? C54 C23 C53 113.7(9) . . ? O15 C23 H38 108.8 . . ? C54 C23 H38 108.8 . . ? C53 C23 H38 108.8 . . ? O16 C24 C56 107.2(7) . . ? O16 C24 C55 107.1(8) . . ? C56 C24 C55 111.5(7) . . ? O16 C24 H24 110.3 . . ? C56 C24 H24 110.3 . . ? C55 C24 H24 110.3 . . ? C9 C25 H48A 109.5 . . ? C9 C25 H48B 109.5 . . ? H48A C25 H48B 109.5 . . ? C9 C25 H48C 109.5 . . ? H48A C25 H48C 109.5 . . ? H48B C25 H48C 109.5 . . ? C9 C26 H55A 109.5 . . ? C9 C26 H55B 109.5 . . ? H55A C26 H55B 109.5 . . ? C9 C26 H55C 109.5 . . ? H55A C26 H55C 109.5 . . ? H55B C26 H55C 109.5 . . ? C10 C27 H52A 109.5 . . ? C10 C27 H52B 109.5 . . ? H52A C27 H52B 109.5 . . ? C10 C27 H52C 109.5 . . ? H52A C27 H52C 109.5 . . ? H52B C27 H52C 109.5 . . ? C10 C28 H51A 109.5 . . ? C10 C28 H51B 109.5 . . ? H51A C28 H51B 109.5 . . ? C10 C28 H51C 109.5 . . ? H51A C28 H51C 109.5 . . ? H51B C28 H51C 109.5 . . ? C11 C29 H42A 109.5 . . ? C11 C29 H42B 109.5 . . ? H42A C29 H42B 109.5 . . ? C11 C29 H42C 109.5 . . ? H42A C29 H42C 109.5 . . ? H42B C29 H42C 109.5 . . ? C11 C30 H34A 109.5 . . ? C11 C30 H34B 109.5 . . ? H34A C30 H34B 109.5 . . ? C11 C30 H34C 109.5 . . ? H34A C30 H34C 109.5 . . ? H34B C30 H34C 109.5 . . ? C12 C31 H19A 109.5 . . ? C12 C31 H19B 109.5 . . ? H19A C31 H19B 109.5 . . ? C12 C31 H19C 109.5 . . ? H19A C31 H19C 109.5 . . ? H19B C31 H19C 109.5 . . ? C12 C32 H9A 109.5 . . ? C12 C32 H9B 109.5 . . ? H9A C32 H9B 109.5 . . ? C12 C32 H9C 109.5 . . ? H9A C32 H9C 109.5 . . ? H9B C32 H9C 109.5 . . ? C13 C33 H25A 109.5 . . ? C13 C33 H25B 109.5 . . ? H25A C33 H25B 109.5 . . ? C13 C33 H25C 109.5 . . ? H25A C33 H25C 109.5 . . ? H25B C33 H25C 109.5 . . ? C13 C34 H23A 109.5 . . ? C13 C34 H23B 109.5 . . ? H23A C34 H23B 109.5 . . ? C13 C34 H23C 109.5 . . ? H23A C34 H23C 109.5 . . ? H23B C34 H23C 109.5 . . ? C14 C35 H36A 109.5 . . ? C14 C35 H36B 109.5 . . ? H36A C35 H36B 109.5 . . ? C14 C35 H36C 109.5 . . ? H36A C35 H36C 109.5 . . ? H36B C35 H36C 109.5 . . ? C14 C36 H43A 109.5 . . ? C14 C36 H43B 109.5 . . ? H43A C36 H43B 109.5 . . ? C14 C36 H43C 109.5 . . ? H43A C36 H43C 109.5 . . ? H43B C36 H43C 109.5 . . ? C15 C37 H32A 109.5 . . ? C15 C37 H32B 109.5 . . ? H32A C37 H32B 109.5 . . ? C15 C37 H32C 109.5 . . ? H32A C37 H32C 109.5 . . ? H32B C37 H32C 109.5 . . ? C15 C38 H53A 109.5 . . ? C15 C38 H53B 109.5 . . ? H53A C38 H53B 109.5 . . ? C15 C38 H53C 109.5 . . ? H53A C38 H53C 109.5 . . ? H53B C38 H53C 109.5 . . ? C16 C39 H29A 109.5 . . ? C16 C39 H29B 109.5 . . ? H29A C39 H29B 109.5 . . ? C16 C39 H29C 109.5 . . ? H29A C39 H29C 109.5 . . ? H29B C39 H29C 109.5 . . ? C16 C40 H28A 109.5 . . ? C16 C40 H28B 109.5 . . ? H28A C40 H28B 109.5 . . ? C16 C40 H28C 109.5 . . ? H28A C40 H28C 109.5 . . ? H28B C40 H28C 109.5 . . ? C17 C41 H47A 109.5 . . ? C17 C41 H47B 109.5 . . ? H47A C41 H47B 109.5 . . ? C17 C41 H47C 109.5 . . ? H47A C41 H47C 109.5 . . ? H47B C41 H47C 109.5 . . ? C17 C42 H11A 109.5 . . ? C17 C42 H11B 109.5 . . ? H11A C42 H11B 109.5 . . ? C17 C42 H11C 109.5 . . ? H11A C42 H11C 109.5 . . ? H11B C42 H11C 109.5 . . ? C18 C43 H44A 109.5 . . ? C18 C43 H44B 109.5 . . ? H44A C43 H44B 109.5 . . ? C18 C43 H44C 109.5 . . ? H44A C43 H44C 109.5 . . ? H44B C43 H44C 109.5 . . ? C18 C44 H13A 109.5 . . ? C18 C44 H13B 109.5 . . ? H13A C44 H13B 109.5 . . ? C18 C44 H13C 109.5 . . ? H13A C44 H13C 109.5 . . ? H13B C44 H13C 109.5 . . ? C19 C45 H1A 109.5 . . ? C19 C45 H1B 109.5 . . ? H1A C45 H1B 109.5 . . ? C19 C45 H1C 109.5 . . ? H1A C45 H1C 109.5 . . ? H1B C45 H1C 109.5 . . ? C19 C46 H3A 109.5 . . ? C19 C46 H3B 109.5 . . ? H3A C46 H3B 109.5 . . ? C19 C46 H3C 109.5 . . ? H3A C46 H3C 109.5 . . ? H3B C46 H3C 109.5 . . ? C20 C47 H46A 109.5 . . ? C20 C47 H46B 109.5 . . ? H46A C47 H46B 109.5 . . ? C20 C47 H46C 109.5 . . ? H46A C47 H46C 109.5 . . ? H46B C47 H46C 109.5 . . ? C20 C48 H56A 109.5 . . ? C20 C48 H56B 109.5 . . ? H56A C48 H56B 109.5 . . ? C20 C48 H56C 109.5 . . ? H56A C48 H56C 109.5 . . ? H56B C48 H56C 109.5 . . ? C21 C49 H30A 109.5 . . ? C21 C49 H30B 109.5 . . ? H30A C49 H30B 109.5 . . ? C21 C49 H30C 109.5 . . ? H30A C49 H30C 109.5 . . ? H30B C49 H30C 109.5 . . ? C21 C50 H33A 109.5 . . ? C21 C50 H33B 109.5 . . ? H33A C50 H33B 109.5 . . ? C21 C50 H33C 109.5 . . ? H33A C50 H33C 109.5 . . ? H33B C50 H33C 109.5 . . ? C22 C51 H54A 109.5 . . ? C22 C51 H54B 109.5 . . ? H54A C51 H54B 109.5 . . ? C22 C51 H54C 109.5 . . ? H54A C51 H54C 109.5 . . ? H54B C51 H54C 109.5 . . ? C22 C52 H50A 109.5 . . ? C22 C52 H50B 109.5 . . ? H50A C52 H50B 109.5 . . ? C22 C52 H50C 109.5 . . ? H50A C52 H50C 109.5 . . ? H50B C52 H50C 109.5 . . ? C23 C53 H40A 109.5 . . ? C23 C53 H40B 109.5 . . ? H40A C53 H40B 109.5 . . ? C23 C53 H40C 109.5 . . ? H40A C53 H40C 109.5 . . ? H40B C53 H40C 109.5 . . ? C23 C54 H41A 109.5 . . ? C23 C54 H41B 109.5 . . ? H41A C54 H41B 109.5 . . ? C23 C54 H41C 109.5 . . ? H41A C54 H41C 109.5 . . ? H41B C54 H41C 109.5 . . ? C24 C55 H45A 109.5 . . ? C24 C55 H45B 109.5 . . ? H45A C55 H45B 109.5 . . ? C24 C55 H45C 109.5 . . ? H45A C55 H45C 109.5 . . ? H45B C55 H45C 109.5 . . ? C24 C56 H35A 109.5 . . ? C24 C56 H35B 109.5 . . ? H35A C56 H35B 109.5 . . ? C24 C56 H35C 109.5 . . ? H35A C56 H35C 109.5 . . ? H35B C56 H35C 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 N4 Ag3 Ag4 S4 -111.9(3) . . . . ? N9 Ag3 Ag4 S4 -13.5(2) . . . . ? S6 Ag3 Ag4 S4 75.98(11) . . . . ? S3 Ag3 Ag4 S4 -178.93(10) . . . . ? N4 Ag3 Ag4 S3 67.0(3) . . . . ? N9 Ag3 Ag4 S3 165.4(2) . . . . ? S6 Ag3 Ag4 S3 -105.09(8) . . . . ? N4 Ag3 Ag4 N9 -98.4(4) . . . . ? S6 Ag3 Ag4 N9 89.5(2) . . . . ? S3 Ag3 Ag4 N9 -165.4(2) . . . . ? N7 Ag1 S1 P1 86.8(2) 3_666 . . . ? S2 Ag1 S1 P1 -91.98(11) . . . . ? N7 Ag1 S1 Ag2 -163.9(2) 3_666 . . 3_666 ? S2 Ag1 S1 Ag2 17.29(10) . . . 3_666 ? N7 Ag1 S2 P2 -63.4(2) 3_666 . . . ? S1 Ag1 S2 P2 115.34(9) . . . . ? N7 Ag1 S2 Ag2 -164.8(2) 3_666 . . . ? S1 Ag1 S2 Ag2 14.02(10) . . . . ? N2 Ag2 S2 P2 -61.9(2) . . . . ? S1 Ag2 S2 P2 119.50(10) 3_666 . . . ? N2 Ag2 S2 Ag1 38.1(2) . . . . ? S1 Ag2 S2 Ag1 -140.51(8) 3_666 . . . ? S4 Ag4 S3 P3 -70.5(3) . . . . ? N9 Ag4 S3 P3 122.53(17) . . . . ? Ag3 Ag4 S3 P3 111.95(10) . . . . ? S4 Ag4 S3 Ag3 177.5(2) . . . . ? N9 Ag4 S3 Ag3 10.58(15) . . . . ? N4 Ag3 S3 P3 115.9(2) . . . . ? N9 Ag3 S3 P3 -111.70(19) . . . . ? S6 Ag3 S3 P3 -10.42(12) . . . . ? Ag4 Ag3 S3 P3 -100.25(11) . . . . ? N4 Ag3 S3 Ag4 -143.8(2) . . . . ? N9 Ag3 S3 Ag4 -11.46(16) . . . . ? S6 Ag3 S3 Ag4 89.83(7) . . . . ? S3 Ag4 S4 P4 14.0(3) . . . . ? N9 Ag4 S4 P4 -178.95(17) . . . . ? Ag3 Ag4 S4 P4 -169.21(7) . . . . ? S3 Ag4 S4 Ag6 109.9(2) . . . . ? N9 Ag4 S4 Ag6 -83.10(16) . . . . ? Ag3 Ag4 S4 Ag6 -73.36(10) . . . . ? N16 Ag6 S4 P4 -56.5(2) 3_767 . . . ? N6 Ag6 S4 P4 85.90(18) . . . . ? S5 Ag6 S4 P4 -179.31(9) . . . . ? N16 Ag6 S4 Ag4 -155.9(2) 3_767 . . . ? N6 Ag6 S4 Ag4 -13.49(17) . . . . ? S5 Ag6 S4 Ag4 81.30(8) . . . . ? S6 Ag5 S5 P5 50.0(3) . . . . ? N6 Ag5 S5 P5 -125.91(17) . . . . ? S6 Ag5 S5 Ag6 163.5(3) . . . . ? N6 Ag5 S5 Ag6 -12.46(15) . . . . ? N16 Ag6 S5 P5 -111.5(2) 3_767 . . . ? N6 Ag6 S5 P5 113.72(18) . . . . ? S4 Ag6 S5 P5 16.39(13) . . . . ? N16 Ag6 S5 Ag5 148.06(18) 3_767 . . . ? N6 Ag6 S5 Ag5 13.23(16) . . . . ? S4 Ag6 S5 Ag5 -84.09(7) . . . . ? S5 Ag5 S6 P6 5.8(3) . . . . ? N6 Ag5 S6 P6 -178.32(18) . . . . ? S5 Ag5 S6 Ag3 -98.7(3) . . . . ? N6 Ag5 S6 Ag3 77.17(16) . . . . ? N4 Ag3 S6 P6 50.4(2) . . . . ? N9 Ag3 S6 P6 -82.68(19) . . . . ? S3 Ag3 S6 P6 175.79(10) . . . . ? Ag4 Ag3 S6 P6 -134.67(10) . . . . ? N4 Ag3 S6 Ag5 150.7(2) . . . . ? N9 Ag3 S6 Ag5 17.62(17) . . . . ? S3 Ag3 S6 Ag5 -83.91(8) . . . . ? Ag4 Ag3 S6 Ag5 -34.37(7) . . . . ? N14 Ag7 S7 P7 141.7(2) 3_767 . . . ? S8 Ag7 S7 P7 -29.04(14) 3_767 . . . ? N14 Ag7 S7 Ag8 33.2(2) 3_767 . . . ? S8 Ag7 S7 Ag8 -137.56(8) 3_767 . . . ? N12 Ag8 S7 P7 95.0(2) . . . . ? S8 Ag8 S7 P7 -87.22(12) . . . . ? N12 Ag8 S7 Ag7 -157.8(2) . . . . ? S8 Ag8 S7 Ag7 20.04(11) . . . . ? N12 Ag8 S8 P8 -65.4(2) . . . . ? S7 Ag8 S8 P8 116.66(10) . . . . ? N12 Ag8 S8 Ag7 -168.3(2) . . . 3_767 ? S7 Ag8 S8 Ag7 13.80(12) . . . 3_767 ? Ag2 S1 P1 O1 -163.9(3) 3_666 . . . ? Ag1 S1 P1 O1 -59.4(3) . . . . ? Ag2 S1 P1 O2 83.6(3) 3_666 . . . ? Ag1 S1 P1 O2 -172.0(3) . . . . ? Ag2 S1 P1 N1 -42.7(4) 3_666 . . . ? Ag1 S1 P1 N1 61.8(4) . . . . ? Ag1 S2 P2 N3 -153.0(3) . . . . ? Ag2 S2 P2 N3 -50.0(3) . . . . ? Ag1 S2 P2 O3 -26.5(2) . . . . ? Ag2 S2 P2 O3 76.5(2) . . . . ? Ag1 S2 P2 O4 90.9(2) . . . . ? Ag2 S2 P2 O4 -166.1(2) . . . . ? Ag4 S3 P3 O5 87.3(2) . . . . ? Ag3 S3 P3 O5 170.2(2) . . . . ? Ag4 S3 P3 O6 -160.6(2) . . . . ? Ag3 S3 P3 O6 -77.6(2) . . . . ? Ag4 S3 P3 N5 -37.7(3) . . . . ? Ag3 S3 P3 N5 45.3(3) . . . . ? Ag4 S4 P4 O7 171.9(2) . . . . ? Ag6 S4 P4 O7 79.0(3) . . . . ? Ag4 S4 P4 O8 61.1(3) . . . . ? Ag6 S4 P4 O8 -31.8(3) . . . . ? Ag4 S4 P4 N8 -66.0(3) . . . . ? Ag6 S4 P4 N8 -159.0(3) . . . . ? Ag5 S5 P5 O9 166.7(2) . . . . ? Ag6 S5 P5 O9 78.3(2) . . . . ? Ag5 S5 P5 O10 -80.8(2) . . . . ? Ag6 S5 P5 O10 -169.2(2) . . . . ? Ag5 S5 P5 N10 43.9(3) . . . . ? Ag6 S5 P5 N10 -44.5(3) . . . . ? Ag5 S6 P6 O11 -64.9(4) . . . . ? Ag3 S6 P6 O11 30.1(4) . . . . ? Ag5 S6 P6 O12 -176.5(2) . . . . ? Ag3 S6 P6 O12 -81.5(3) . . . . ? Ag5 S6 P6 N11 61.9(4) . . . . ? Ag3 S6 P6 N11 156.9(4) . . . . ? Ag7 S7 P7 O14 -165.1(2) . . . . ? Ag8 S7 P7 O14 -68.1(2) . . . . ? Ag7 S7 P7 O13 83.0(2) . . . . ? Ag8 S7 P7 O13 179.9(2) . . . . ? Ag7 S7 P7 N13 -43.3(3) . . . . ? Ag8 S7 P7 N13 53.7(3) . . . . ? Ag8 S8 P8 O16 98.9(3) . . . . ? Ag7 S8 P8 O16 -159.3(2) 3_767 . . . ? Ag8 S8 P8 N15 -143.6(3) . . . . ? Ag7 S8 P8 N15 -41.8(3) 3_767 . . . ? Ag8 S8 P8 O15 -17.5(2) . . . . ? Ag7 S8 P8 O15 84.2(2) 3_767 . . . ? O2 P1 O1 C9 74.5(8) . . . . ? N1 P1 O1 C9 -170.3(7) . . . . ? S1 P1 O1 C9 -42.6(8) . . . . ? O1 P1 O2 C10 -170.1(7) . . . . ? N1 P1 O2 C10 77.9(7) . . . . ? S1 P1 O2 C10 -52.2(7) . . . . ? N3 P2 O3 C11 -48.9(6) . . . . ? O4 P2 O3 C11 61.4(6) . . . . ? S2 P2 O3 C11 -177.2(5) . . . . ? N3 P2 O4 C12 168.7(6) . . . . ? O3 P2 O4 C12 49.5(6) . . . . ? S2 P2 O4 C12 -65.9(6) . . . . ? O6 P3 O5 C13 -85.1(6) . . . . ? N5 P3 O5 C13 163.6(5) . . . . ? S3 P3 O5 C13 32.7(6) . . . . ? O5 P3 O6 C14 -174.4(5) . . . . ? N5 P3 O6 C14 -62.1(6) . . . . ? S3 P3 O6 C14 67.6(5) . . . . ? O8 P4 O7 C15 174.5(6) . . . . ? N8 P4 O7 C15 -66.4(7) . . . . ? S4 P4 O7 C15 60.5(7) . . . . ? O7 P4 O8 C16 68.9(7) . . . . ? N8 P4 O8 C16 -45.5(8) . . . . ? S4 P4 O8 C16 -173.9(6) . . . . ? O10 P5 O9 C17 171.1(5) . . . . ? N10 P5 O9 C17 58.9(6) . . . . ? S5 P5 O9 C17 -71.0(6) . . . . ? O9 P5 O10 C18 84.0(6) . . . . ? N10 P5 O10 C18 -164.9(5) . . . . ? S5 P5 O10 C18 -33.9(6) . . . . ? O12 P6 O11 C19 -32(2) . . . . ? N11 P6 O11 C19 82(2) . . . . ? S6 P6 O11 C19 -150(2) . . . . ? O11 P6 O12 C20 -174.8(8) . . . . ? N11 P6 O12 C20 66.5(8) . . . . ? S6 P6 O12 C20 -59.1(7) . . . . ? O14 P7 O13 C21 177.9(5) . . . . ? N13 P7 O13 C21 66.3(6) . . . . ? S7 P7 O13 C21 -63.9(6) . . . . ? O13 P7 O14 C22 56.2(7) . . . . ? N13 P7 O14 C22 171.1(7) . . . . ? S7 P7 O14 C22 -60.6(7) . . . . ? O16 P8 O15 C23 63.0(7) . . . . ? N15 P8 O15 C23 -48.7(7) . . . . ? S8 P8 O15 C23 -177.2(6) . . . . ? N15 P8 O16 C24 -171.8(7) . . . . ? O15 P8 O16 C24 68.4(7) . . . . ? S8 P8 O16 C24 -45.2(7) . . . . ? O1 P1 N1 C1 132.3(8) . . . . ? O2 P1 N1 C1 -117.7(8) . . . . ? S1 P1 N1 C1 8.4(9) . . . . ? S1 Ag2 N2 C1 151.1(9) 3_666 . . . ? S2 Ag2 N2 C1 -27.9(10) . . . . ? O3 P2 N3 C2 -81.4(7) . . . . ? O4 P2 N3 C2 163.6(7) . . . . ? S2 P2 N3 C2 40.3(8) . . . . ? O5 P3 N5 C3 -97.4(6) . . . . ? O6 P3 N5 C3 154.4(6) . . . . ? S3 P3 N5 C3 29.3(7) . . . . ? N16 Ag6 N6 C3 92.8(15) 3_767 . . . ? S4 Ag6 N6 C3 -40.1(15) . . . . ? S5 Ag6 N6 C3 -152.2(15) . . . . ? N16 Ag6 N6 Ag5 -127.6(3) 3_767 . . . ? S4 Ag6 N6 Ag5 99.54(14) . . . . ? S5 Ag6 N6 Ag5 -12.60(15) . . . . ? S6 Ag5 N6 C3 -0.9(6) . . . . ? S5 Ag5 N6 C3 178.0(6) . . . . ? S6 Ag5 N6 Ag6 -165.11(13) . . . . ? S5 Ag5 N6 Ag6 13.81(16) . . . . ? O7 P4 N8 C4 161.8(7) . . . . ? O8 P4 N8 C4 -86.6(8) . . . . ? S4 P4 N8 C4 37.3(8) . . . . ? N4 Ag3 N9 C5 -89.5(13) . . . . ? S6 Ag3 N9 C5 35.8(13) . . . . ? S3 Ag3 N9 C5 147.2(13) . . . . ? Ag4 Ag3 N9 C5 136.4(14) . . . . ? N4 Ag3 N9 Ag4 134.1(2) . . . . ? S6 Ag3 N9 Ag4 -100.57(14) . . . . ? S3 Ag3 N9 Ag4 10.87(15) . . . . ? S4 Ag4 N9 C5 12.4(6) . . . . ? S3 Ag4 N9 C5 -171.1(6) . . . . ? Ag3 Ag4 N9 C5 -159.2(7) . . . . ? S4 Ag4 N9 Ag3 171.58(14) . . . . ? S3 Ag4 N9 Ag3 -11.92(17) . . . . ? O9 P5 N10 C5 -154.9(6) . . . . ? O10 P5 N10 C5 96.5(7) . . . . ? S5 P5 N10 C5 -29.8(8) . . . . ? O11 P6 N11 C6 94.1(9) . . . . ? O12 P6 N11 C6 -154.4(8) . . . . ? S6 P6 N11 C6 -30.4(9) . . . . ? S7 Ag8 N12 C6 75(2) . . . . ? S8 Ag8 N12 C6 -103(2) . . . . ? O14 P7 N13 C7 133.8(7) . . . . ? O13 P7 N13 C7 -117.0(7) . . . . ? S7 P7 N13 C7 9.0(9) . . . . ? O16 P8 N15 C8 154.7(7) . . . . ? O15 P8 N15 C8 -89.6(8) . . . . ? S8 P8 N15 C8 31.2(8) . . . . ? P1 O1 C9 C26 -91.4(10) . . . . ? P1 O1 C9 C25 145.6(7) . . . . ? P1 O2 C10 C27 121.9(9) . . . . ? P1 O2 C10 C28 -115.2(8) . . . . ? P2 O3 C11 C30 94.8(8) . . . . ? P2 O3 C11 C29 -142.8(6) . . . . ? P2 O4 C12 C32 99.7(6) . . . . ? P2 O4 C12 C31 -138.3(5) . . . . ? P3 O5 C13 C34 61.6(8) . . . . ? P3 O5 C13 C33 -174.8(5) . . . . ? P3 O6 C14 C35 -118.7(7) . . . . ? P3 O6 C14 C36 118.5(7) . . . . ? P4 O7 C15 C37 118.5(8) . . . . ? P4 O7 C15 C38 -121.7(8) . . . . ? P4 O8 C16 C39 -81.2(10) . . . . ? P4 O8 C16 C40 156.5(6) . . . . ? P5 O9 C17 C42 117.4(7) . . . . ? P5 O9 C17 C41 -118.6(8) . . . . ? P5 O10 C18 C44 -68.0(8) . . . . ? P5 O10 C18 C43 169.8(6) . . . . ? P6 O11 C19 C45 -157.0(15) . . . . ? P6 O11 C19 C46 41(3) . . . . ? P6 O12 C20 C47 -110.4(9) . . . . ? P6 O12 C20 C48 129.5(9) . . . . ? P7 O13 C21 C49 113.7(6) . . . . ? P7 O13 C21 C50 -123.5(6) . . . . ? P7 O14 C22 C51 -124.5(7) . . . . ? P7 O14 C22 C52 113.6(8) . . . . ? P8 O15 C23 C54 88.3(9) . . . . ? P8 O15 C23 C53 -148.1(7) . . . . ? P8 O16 C24 C56 128.1(7) . . . . ? P8 O16 C24 C55 -112.2(7) . . . . ? _diffrn_measured_fraction_theta_max 0.993 _diffrn_reflns_theta_full 26.50 _diffrn_measured_fraction_theta_full 0.993 _refine_diff_density_max 1.935 _refine_diff_density_min -1.079 _refine_diff_density_rms 0.146