# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2003 data_global _publ_contact_author_email YUBINDONG@SDNU.EDU.CN _publ_contact_author_name 'Dr Yu-Bin Dong' _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_address ; College of Chemistry Shandong Normal University Chemical Engineering and Materials Jinan 250014 CHINA ; _publ_section_title ; Novel Organic-Inorganic Composite Coordination Polymers Generated from New Multidentate Schiff-Base Ligand and Ag(I) Salts ; loop_ _publ_author_name 'Yu-Bin Dong' 'Ru-Qi Huang' 'Huai-You Wang' 'Xia Zhao' data_1 _database_code_depnum_ccdc_archive 'CCDC 210243' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ; [Ag5 (C12 H12 N6)3 (NO3)3] [Ag (NO3)3] (CHCl3)3 ; _chemical_formula_sum 'C39 H39 Ag6 Cl9 N24 O18' _chemical_formula_weight 2098.21 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' Cl Cl 0.1484 0.1585 '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 Orthorhombic _symmetry_space_group_name_H-M 'P n n a' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z' '-x+1/2, y+1/2, -z+1/2' 'x, -y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z' 'x-1/2, -y-1/2, z-1/2' '-x, y-1/2, z-1/2' _cell_length_a 21.5758(10) _cell_length_b 25.1163(11) _cell_length_c 11.9420(5) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 6471.4(5) _cell_formula_units_Z 4 _cell_measurement_temperature 150(1) _cell_measurement_reflns_used 8065 _cell_measurement_theta_min 2.536 _cell_measurement_theta_max 28.278 _exptl_crystal_description plate _exptl_crystal_colour yellow _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.17 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.154 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4080 _exptl_absorpt_coefficient_mu 2.237 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7713 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details 'SADABS (Bruker, 2001)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(1) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker SMART APEX CCD diffractometer' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% none _diffrn_reflns_number 59190 _diffrn_reflns_av_R_equivalents 0.0430 _diffrn_reflns_av_sigmaI/netI 0.0259 _diffrn_reflns_limit_h_min -27 _diffrn_reflns_limit_h_max 27 _diffrn_reflns_limit_k_min -32 _diffrn_reflns_limit_k_max 32 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 1.62 _diffrn_reflns_theta_max 27.10 _reflns_number_total 7153 _reflns_number_gt 6228 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART NT V5.625 (Bruker, 2000)' _computing_cell_refinement 'SAINT+ NT V6.22 (Bruker, 2001)' _computing_data_reduction 'SAINT+ NT V6.22' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXTL V6.1 (Sheldrick, 2000)' _computing_publication_material 'SHELXTL V6.1' _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^)+(0.0415P)^2^+20.2334P] 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 7153 _refine_ls_number_parameters 460 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.0476 _refine_ls_R_factor_gt 0.0405 _refine_ls_wR_factor_ref 0.0983 _refine_ls_wR_factor_gt 0.0941 _refine_ls_goodness_of_fit_ref 1.073 _refine_ls_restrained_S_all 1.073 _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 0.5000 0.5000 0.5000 0.02638(11) Uani 1 2 d S . . Ag2 Ag 0.38231(2) 0.2500 0.2500 0.03168(12) Uani 1 2 d S . . Ag3 Ag 0.182972(14) 0.255144(11) 0.45347(3) 0.02659(9) Uani 1 1 d . . . Ag4 Ag 0.2500 0.0000 0.74093(3) 0.02544(10) Uani 1 2 d S . . Ag5 Ag 0.07762(3) 0.2500 0.7500 0.04677(15) Uani 1 2 d S . . C1 C 0.4074(2) 0.39840(16) 0.4444(4) 0.0330(9) Uani 1 1 d . . . H1 H 0.3907 0.4103 0.5137 0.040 Uiso 1 1 calc R . . C2 C 0.38950(18) 0.34908(15) 0.4031(3) 0.0238(8) Uani 1 1 d . . . C3 C 0.4510(2) 0.36287(18) 0.2505(4) 0.0324(9) Uani 1 1 d . . . H3 H 0.4670 0.3516 0.1802 0.039 Uiso 1 1 calc R . . C4 C 0.4693(2) 0.41169(17) 0.2936(4) 0.0354(10) Uani 1 1 d . . . H4 H 0.4983 0.4327 0.2531 0.042 Uiso 1 1 calc R . . C5 C 0.34548(17) 0.31447(14) 0.4667(3) 0.0212(7) Uani 1 1 d . . . C6 C 0.3177(2) 0.33611(17) 0.5713(4) 0.0353(10) Uani 1 1 d . . . H6A H 0.2848 0.3122 0.5973 0.053 Uiso 1 1 calc R . . H6B H 0.3001 0.3714 0.5564 0.053 Uiso 1 1 calc R . . H6C H 0.3498 0.3390 0.6291 0.053 Uiso 1 1 calc R . . C7 C 0.37184(19) 0.18273(19) 0.5567(5) 0.0420(12) Uani 1 1 d . . . H7A H 0.3994 0.2098 0.5250 0.063 Uiso 1 1 calc R . . H7B H 0.3819 0.1479 0.5243 0.063 Uiso 1 1 calc R . . H7C H 0.3773 0.1814 0.6381 0.063 Uiso 1 1 calc R . . C8 C 0.30619(17) 0.19656(14) 0.5301(3) 0.0224(8) Uani 1 1 d . . . C9 C 0.25507(17) 0.16144(14) 0.5712(3) 0.0230(7) Uani 1 1 d . . . C10 C 0.26784(18) 0.11471(15) 0.6303(3) 0.0261(8) Uani 1 1 d . . . H10 H 0.3097 0.1060 0.6468 0.031 Uiso 1 1 calc R . . C11 C 0.16478(18) 0.09651(16) 0.6424(3) 0.0277(8) Uani 1 1 d . . . H11 H 0.1316 0.0742 0.6657 0.033 Uiso 1 1 calc R . . C12 C 0.15166(18) 0.14356(15) 0.5864(3) 0.0269(8) Uani 1 1 d . . . H12 H 0.1096 0.1531 0.5737 0.032 Uiso 1 1 calc R . . C13 C 0.43834(19) 0.60409(15) 0.3890(3) 0.0281(8) Uani 1 1 d . . . H13 H 0.4704 0.5980 0.3359 0.034 Uiso 1 1 calc R . . C14 C 0.40371(17) 0.65054(14) 0.3814(3) 0.0220(7) Uani 1 1 d . . . C15 C 0.34931(19) 0.62457(15) 0.5363(3) 0.0272(8) Uani 1 1 d . . . H15 H 0.3181 0.6308 0.5909 0.033 Uiso 1 1 calc R . . C16 C 0.3829(2) 0.57791(16) 0.5407(4) 0.0309(9) Uani 1 1 d . . . H16 H 0.3736 0.5524 0.5969 0.037 Uiso 1 1 calc R . . C17 C 0.41346(17) 0.68978(14) 0.2888(3) 0.0214(7) Uani 1 1 d . . . C18 C 0.4565(2) 0.67571(18) 0.1956(4) 0.0396(11) Uani 1 1 d . . . H18A H 0.4541 0.7030 0.1371 0.059 Uiso 1 1 calc R . . H18B H 0.4446 0.6412 0.1641 0.059 Uiso 1 1 calc R . . H18C H 0.4990 0.6737 0.2242 0.059 Uiso 1 1 calc R . . N1 N 0.44737(18) 0.42961(14) 0.3900(3) 0.0367(9) Uani 1 1 d . . . N2 N 0.41179(15) 0.33153(13) 0.3050(3) 0.0249(7) Uani 1 1 d . . . N3 N 0.33483(14) 0.26882(12) 0.4248(3) 0.0211(6) Uani 1 1 d . . . N4 N 0.28930(15) 0.23738(11) 0.4738(3) 0.0203(6) Uani 1 1 d . . . N5 N 0.19623(14) 0.17574(12) 0.5500(3) 0.0223(6) Uani 1 1 d . . . N6 N 0.22284(15) 0.08182(12) 0.6644(3) 0.0260(7) Uani 1 1 d . . . N7 N 0.42817(17) 0.56788(13) 0.4681(3) 0.0318(8) Uani 1 1 d . . . N8 N 0.35945(15) 0.66114(12) 0.4573(3) 0.0227(6) Uani 1 1 d . . . N9 N 0.38243(14) 0.73300(11) 0.2956(3) 0.0191(6) Uani 1 1 d . . . N11 N 0.40815(15) 0.04410(13) 0.7535(3) 0.0248(7) Uani 1 1 d . . . N12 N 0.2500 0.0000 0.9917(5) 0.0505(17) Uani 1 2 d S . . N13 N 0.2125(2) 0.2500 0.7500 0.0284(10) Uani 1 2 d S . . N14 N 0.01197(16) 0.26761(15) 0.5435(3) 0.0301(8) Uani 1 1 d . . . O11 O 0.4474(2) 0.01507(16) 0.7976(3) 0.0615(11) Uani 1 1 d . . . O12 O 0.41115(18) 0.09240(12) 0.7634(3) 0.0470(9) Uani 1 1 d . . . O13 O 0.36766(17) 0.02445(15) 0.6921(4) 0.0596(11) Uani 1 1 d . . . O14 O 0.2733(3) 0.03626(16) 0.9374(4) 0.0799(15) Uani 1 1 d . . . O15 O 0.2500 0.0000 1.0928(5) 0.138(5) Uani 1 2 d S . . O16 O 0.18244(15) 0.28516(12) 0.6970(3) 0.0391(7) Uani 1 1 d . . . O17 O 0.2695(2) 0.2500 0.7500 0.0361(10) Uani 1 2 d S . . O18 O 0.01787(18) 0.22018(13) 0.5751(3) 0.0475(8) Uani 1 1 d . . . O19 O 0.03622(15) 0.30397(13) 0.6013(3) 0.0414(8) Uani 1 1 d . . . O20 O -0.01698(14) 0.27874(13) 0.4571(3) 0.0353(7) Uani 1 1 d . . . C21 C 0.0092(4) 0.5034(4) -0.0263(9) 0.073(4) Uani 0.50 1 d PD A -1 H21 H 0.0300 0.4973 -0.1001 0.088 Uiso 0.50 1 calc PR A -1 Cl1 Cl 0.0522(3) 0.4736(3) 0.0737(7) 0.176(4) Uani 0.50 1 d PD A -1 Cl2 Cl -0.0649(3) 0.4781(4) -0.0347(7) 0.181(4) Uani 0.50 1 d PD A -1 Cl3 Cl 0.0050(2) 0.57084(15) -0.0042(3) 0.0905(13) Uani 0.50 1 d PD A -1 C22 C 0.7501(3) 0.5882(2) 0.7713(6) 0.0665(17) Uani 1 1 d . B 2 H22 H 0.7473 0.5699 0.6970 0.080 Uiso 1 1 calc R B 2 Cl4 Cl 0.75131(6) 0.65688(5) 0.75123(10) 0.0467(3) Uani 1 1 d . B 2 Cl5 Cl 0.81805(12) 0.56833(8) 0.8397(2) 0.1086(8) Uani 1 1 d . B 2 Cl6 Cl 0.68509(12) 0.57124(9) 0.8528(2) 0.1150(9) Uani 1 1 d . B 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 0.0260(2) 0.01262(18) 0.0405(2) 0.00087(16) -0.00315(17) 0.00262(15) Ag2 0.0347(2) 0.0250(2) 0.0354(2) -0.01154(17) 0.000 0.000 Ag3 0.02707(16) 0.02090(15) 0.03180(17) 0.00433(11) -0.00475(12) 0.00816(11) Ag4 0.0316(2) 0.01618(19) 0.0285(2) 0.000 0.000 -0.00178(16) Ag5 0.0402(3) 0.0646(4) 0.0356(3) 0.0019(2) 0.000 0.000 C1 0.039(2) 0.027(2) 0.032(2) -0.0069(17) 0.0095(19) -0.0129(18) C2 0.0248(19) 0.0208(18) 0.0260(19) 0.0013(15) -0.0005(15) -0.0031(15) C3 0.033(2) 0.034(2) 0.030(2) 0.0003(17) 0.0063(18) -0.0068(18) C4 0.040(2) 0.030(2) 0.036(2) 0.0016(18) 0.010(2) -0.0106(18) C5 0.0223(18) 0.0189(17) 0.0225(18) 0.0022(14) -0.0007(14) -0.0025(14) C6 0.044(3) 0.028(2) 0.033(2) -0.0069(17) 0.013(2) -0.0120(19) C7 0.019(2) 0.039(2) 0.068(3) 0.027(2) -0.004(2) -0.0024(18) C8 0.0200(18) 0.0183(17) 0.029(2) 0.0022(14) -0.0026(15) -0.0019(14) C9 0.0228(18) 0.0188(17) 0.0274(18) 0.0021(15) -0.0021(15) -0.0012(14) C10 0.0207(18) 0.0211(18) 0.036(2) 0.0071(16) -0.0055(16) -0.0006(14) C11 0.0231(19) 0.0252(19) 0.035(2) 0.0056(16) 0.0008(16) -0.0036(15) C12 0.0192(18) 0.0258(19) 0.036(2) 0.0026(16) -0.0020(16) 0.0015(15) C13 0.030(2) 0.0217(18) 0.033(2) 0.0015(16) 0.0092(17) 0.0087(15) C14 0.0245(18) 0.0174(17) 0.0242(18) -0.0009(14) 0.0012(15) 0.0010(14) C15 0.029(2) 0.0260(19) 0.0260(19) 0.0033(16) 0.0060(16) 0.0026(16) C16 0.038(2) 0.0223(19) 0.032(2) 0.0055(16) 0.0079(18) 0.0015(17) C17 0.0222(18) 0.0177(17) 0.0241(18) 0.0003(14) 0.0023(15) 0.0015(14) C18 0.050(3) 0.033(2) 0.036(2) 0.0084(19) 0.020(2) 0.014(2) N1 0.044(2) 0.0246(18) 0.041(2) -0.0029(15) 0.0091(17) -0.0133(16) N2 0.0235(16) 0.0245(16) 0.0268(17) -0.0022(13) 0.0011(13) -0.0024(13) N3 0.0210(15) 0.0178(14) 0.0246(16) 0.0057(12) -0.0004(12) -0.0015(12) N4 0.0252(16) 0.0155(14) 0.0201(15) 0.0011(12) -0.0027(12) -0.0028(12) N5 0.0201(15) 0.0201(15) 0.0267(16) 0.0032(13) -0.0022(13) 0.0000(12) N6 0.0255(16) 0.0205(15) 0.0320(18) 0.0076(13) -0.0028(14) -0.0026(13) N7 0.039(2) 0.0205(16) 0.0363(19) 0.0053(14) 0.0104(16) 0.0055(14) N8 0.0235(16) 0.0215(15) 0.0230(15) -0.0032(13) 0.0029(13) 0.0029(12) N9 0.0187(14) 0.0143(13) 0.0245(15) 0.0003(12) 0.0006(12) -0.0022(11) N11 0.0244(16) 0.0211(16) 0.0289(17) 0.0015(13) -0.0013(14) 0.0027(13) N12 0.095(5) 0.026(3) 0.030(3) 0.000 0.000 0.015(3) N13 0.037(3) 0.029(3) 0.020(2) -0.0011(19) 0.000 0.000 N14 0.0212(16) 0.036(2) 0.0326(19) -0.0005(16) 0.0062(14) -0.0022(14) O11 0.073(3) 0.055(2) 0.057(2) 0.0137(19) -0.021(2) 0.034(2) O12 0.058(2) 0.0208(15) 0.062(2) -0.0012(14) -0.0118(18) -0.0018(15) O13 0.038(2) 0.050(2) 0.091(3) -0.024(2) -0.014(2) -0.0077(17) O14 0.111(4) 0.042(2) 0.086(3) 0.021(2) -0.033(3) -0.022(2) O15 0.290(14) 0.093(6) 0.032(3) 0.000 0.000 0.061(7) O16 0.0452(19) 0.0360(17) 0.0359(17) 0.0126(14) -0.0016(14) 0.0100(14) O17 0.031(2) 0.042(3) 0.036(2) 0.0037(19) 0.000 0.000 O18 0.062(2) 0.0356(18) 0.045(2) 0.0048(15) -0.0010(17) 0.0011(16) O19 0.0382(18) 0.0437(19) 0.0422(19) -0.0077(15) -0.0021(15) -0.0102(15) O20 0.0301(16) 0.0404(17) 0.0355(17) 0.0022(14) -0.0015(13) -0.0004(13) C21 0.077(10) 0.099(10) 0.044(8) 0.006(8) 0.012(7) -0.052(8) Cl1 0.114(4) 0.141(5) 0.273(9) 0.128(6) 0.033(5) 0.057(4) Cl2 0.112(5) 0.260(10) 0.172(6) -0.084(7) 0.017(4) -0.093(6) Cl3 0.145(4) 0.067(2) 0.059(2) 0.0100(17) 0.001(2) 0.011(2) C22 0.082(5) 0.038(3) 0.079(4) -0.010(3) -0.010(4) 0.002(3) Cl4 0.0446(6) 0.0478(7) 0.0477(7) 0.0071(5) 0.0006(6) 0.0009(5) Cl5 0.1182(18) 0.0693(12) 0.138(2) 0.0028(12) -0.0394(15) 0.0425(12) Cl6 0.1208(19) 0.0769(13) 0.147(2) 0.0274(14) 0.0090(16) -0.0490(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 N7 2.335(3) 5_666 ? Ag1 N7 2.335(3) . ? Ag1 N1 2.478(4) . ? Ag1 N1 2.478(4) 5_666 ? Ag1 O11 2.697(4) 8_665 ? Ag1 O11 2.697(4) 4_556 ? Ag2 N2 2.243(3) . ? Ag2 N2 2.243(3) 4 ? Ag2 N3 2.372(3) 4 ? Ag2 N3 2.372(3) . ? Ag3 N8 2.294(3) 2_565 ? Ag3 N5 2.321(3) . ? Ag3 N4 2.350(3) . ? Ag3 N9 2.374(3) 2_565 ? Ag4 N6 2.324(3) 2 ? Ag4 N6 2.324(3) . ? Ag4 O14 2.566(5) . ? Ag4 O14 2.566(5) 2 ? Ag4 O13 2.676(4) 2 ? Ag4 O13 2.676(4) . ? Ag5 O19 2.406(3) 4_556 ? Ag5 O19 2.406(3) . ? Ag5 O16 2.509(3) . ? Ag5 O16 2.509(3) 4_556 ? Ag5 O18 2.567(4) . ? Ag5 O18 2.567(4) 4_556 ? C1 N1 1.335(5) . ? C1 C2 1.388(5) . ? C1 H1 0.9500 . ? C2 N2 1.341(5) . ? C2 C5 1.495(5) . ? C3 N2 1.326(5) . ? C3 C4 1.388(6) . ? C3 H3 0.9500 . ? C4 N1 1.323(6) . ? C4 H4 0.9500 . ? C5 N3 1.272(5) . ? C5 C6 1.489(5) . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C7 C8 1.493(5) . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C8 N4 1.279(5) . ? C8 C9 1.495(5) . ? C9 N5 1.343(5) . ? C9 C10 1.397(5) . ? C10 N6 1.338(5) . ? C10 H10 0.9500 . ? C11 N6 1.332(5) . ? C11 C12 1.387(5) . ? C11 H11 0.9500 . ? C12 N5 1.329(5) . ? C12 H12 0.9500 . ? C13 N7 1.330(5) . ? C13 C14 1.388(5) . ? C13 H13 0.9500 . ? C14 N8 1.343(5) . ? C14 C17 1.496(5) . ? C15 N8 1.335(5) . ? C15 C16 1.379(6) . ? C15 H15 0.9500 . ? C16 N7 1.330(5) . ? C16 H16 0.9500 . ? C17 N9 1.278(5) . ? C17 C18 1.492(5) . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? N3 N4 1.390(4) . ? N8 Ag3 2.294(3) 2_565 ? N9 N9 1.384(6) 4_565 ? N9 Ag3 2.374(3) 2_565 ? N11 O12 1.221(4) . ? N11 O11 1.235(4) . ? N11 O13 1.242(5) . ? N12 O15 1.207(8) . ? N12 O14 1.226(5) 2 ? N12 O14 1.226(5) . ? N13 O17 1.230(7) . ? N13 O16 1.265(4) 4_556 ? N13 O16 1.265(4) . ? N14 O20 1.237(5) . ? N14 O18 1.256(5) . ? N14 O19 1.258(5) . ? C21 Cl1 1.688(9) . ? C21 Cl3 1.718(10) . ? C21 Cl2 1.722(9) . ? C21 H21 1.0000 . ? C22 Cl4 1.742(6) . ? C22 Cl5 1.752(7) . ? C22 Cl6 1.759(8) . ? C22 H22 1.0000 . ? 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 N7 180.0 5_666 . ? N7 Ag1 N1 82.51(13) 5_666 . ? N7 Ag1 N1 97.49(13) . . ? N7 Ag1 N1 97.49(13) 5_666 5_666 ? N7 Ag1 N1 82.51(13) . 5_666 ? N1 Ag1 N1 180.00(11) . 5_666 ? N7 Ag1 O11 88.24(13) 5_666 8_665 ? N7 Ag1 O11 91.76(13) . 8_665 ? N1 Ag1 O11 79.49(12) . 8_665 ? N1 Ag1 O11 100.51(12) 5_666 8_665 ? N7 Ag1 O11 91.76(13) 5_666 4_556 ? N7 Ag1 O11 88.24(13) . 4_556 ? N1 Ag1 O11 100.51(12) . 4_556 ? N1 Ag1 O11 79.49(12) 5_666 4_556 ? O11 Ag1 O11 180.000(1) 8_665 4_556 ? N2 Ag2 N2 147.04(17) . 4 ? N2 Ag2 N3 124.20(11) . 4 ? N2 Ag2 N3 71.51(11) 4 4 ? N2 Ag2 N3 71.51(11) . . ? N2 Ag2 N3 124.20(11) 4 . ? N3 Ag2 N3 128.84(15) 4 . ? N8 Ag3 N5 145.79(11) 2_565 . ? N8 Ag3 N4 124.17(11) 2_565 . ? N5 Ag3 N4 70.45(10) . . ? N8 Ag3 N9 70.33(11) 2_565 2_565 ? N5 Ag3 N9 125.13(10) . 2_565 ? N4 Ag3 N9 133.33(10) . 2_565 ? N6 Ag4 N6 133.67(17) 2 . ? N6 Ag4 O14 128.60(13) 2 . ? N6 Ag4 O14 95.47(13) . . ? N6 Ag4 O14 95.47(13) 2 2 ? N6 Ag4 O14 128.60(13) . 2 ? O14 Ag4 O14 47.84(19) . 2 ? N6 Ag4 O13 87.17(12) 2 2 ? N6 Ag4 O13 82.99(11) . 2 ? O14 Ag4 O13 117.81(16) . 2 ? O14 Ag4 O13 86.08(15) 2 2 ? N6 Ag4 O13 82.99(11) 2 . ? N6 Ag4 O13 87.17(12) . . ? O14 Ag4 O13 86.08(15) . . ? O14 Ag4 O13 117.81(16) 2 . ? O13 Ag4 O13 154.84(19) 2 . ? O19 Ag5 O19 136.42(15) 4_556 . ? O19 Ag5 O16 135.97(10) 4_556 . ? O19 Ag5 O16 87.15(10) . . ? O19 Ag5 O16 87.15(10) 4_556 4_556 ? O19 Ag5 O16 135.97(10) . 4_556 ? O16 Ag5 O16 51.31(13) . 4_556 ? O19 Ag5 O18 104.48(11) 4_556 . ? O19 Ag5 O18 51.47(10) . . ? O16 Ag5 O18 110.50(11) . . ? O16 Ag5 O18 123.73(11) 4_556 . ? O19 Ag5 O18 51.47(10) 4_556 4_556 ? O19 Ag5 O18 104.48(11) . 4_556 ? O16 Ag5 O18 123.73(11) . 4_556 ? O16 Ag5 O18 110.50(11) 4_556 4_556 ? O18 Ag5 O18 119.70(17) . 4_556 ? N1 C1 C2 122.0(4) . . ? N1 C1 H1 119.0 . . ? C2 C1 H1 119.0 . . ? N2 C2 C1 120.3(4) . . ? N2 C2 C5 118.7(3) . . ? C1 C2 C5 121.0(3) . . ? N2 C3 C4 121.6(4) . . ? N2 C3 H3 119.2 . . ? C4 C3 H3 119.2 . . ? N1 C4 C3 121.5(4) . . ? N1 C4 H4 119.3 . . ? C3 C4 H4 119.3 . . ? N3 C5 C6 125.9(3) . . ? N3 C5 C2 116.0(3) . . ? C6 C5 C2 118.0(3) . . ? C5 C6 H6A 109.5 . . ? C5 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C5 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? C8 C7 H7A 109.5 . . ? C8 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? C8 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? N4 C8 C7 124.6(3) . . ? N4 C8 C9 115.8(3) . . ? C7 C8 C9 119.5(3) . . ? N5 C9 C10 120.4(3) . . ? N5 C9 C8 118.5(3) . . ? C10 C9 C8 121.1(3) . . ? N6 C10 C9 121.9(3) . . ? N6 C10 H10 119.0 . . ? C9 C10 H10 119.0 . . ? N6 C11 C12 121.5(4) . . ? N6 C11 H11 119.2 . . ? C12 C11 H11 119.2 . . ? N5 C12 C11 121.9(4) . . ? N5 C12 H12 119.1 . . ? C11 C12 H12 119.1 . . ? N7 C13 C14 122.2(4) . . ? N7 C13 H13 118.9 . . ? C14 C13 H13 118.9 . . ? N8 C14 C13 120.3(3) . . ? N8 C14 C17 117.9(3) . . ? C13 C14 C17 121.8(3) . . ? N8 C15 C16 121.7(4) . . ? N8 C15 H15 119.2 . . ? C16 C15 H15 119.2 . . ? N7 C16 C15 121.5(4) . . ? N7 C16 H16 119.3 . . ? C15 C16 H16 119.3 . . ? N9 C17 C18 125.0(3) . . ? N9 C17 C14 116.1(3) . . ? C18 C17 C14 118.9(3) . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? C4 N1 C1 117.1(4) . . ? C4 N1 Ag1 122.7(3) . . ? C1 N1 Ag1 117.2(3) . . ? C3 N2 C2 117.6(3) . . ? C3 N2 Ag2 125.4(3) . . ? C2 N2 Ag2 117.0(2) . . ? C5 N3 N4 118.3(3) . . ? C5 N3 Ag2 116.6(2) . . ? N4 N3 Ag2 124.2(2) . . ? C8 N4 N3 118.4(3) . . ? C8 N4 Ag3 119.0(3) . . ? N3 N4 Ag3 122.6(2) . . ? C12 N5 C9 117.3(3) . . ? C12 N5 Ag3 126.6(3) . . ? C9 N5 Ag3 116.1(2) . . ? C11 N6 C10 116.9(3) . . ? C11 N6 Ag4 124.0(3) . . ? C10 N6 Ag4 118.8(3) . . ? C16 N7 C13 117.1(3) . . ? C16 N7 Ag1 121.3(3) . . ? C13 N7 Ag1 120.4(3) . . ? C15 N8 C14 117.2(3) . . ? C15 N8 Ag3 125.4(3) . 2_565 ? C14 N8 Ag3 116.9(2) . 2_565 ? C17 N9 N9 118.3(3) . 4_565 ? C17 N9 Ag3 117.9(2) . 2_565 ? N9 N9 Ag3 123.2(2) 4_565 2_565 ? O12 N11 O11 120.6(4) . . ? O12 N11 O13 119.3(4) . . ? O11 N11 O13 119.9(4) . . ? O15 N12 O14 121.9(3) . 2 ? O15 N12 O14 121.9(3) . . ? O14 N12 O14 116.1(6) 2 . ? O17 N13 O16 120.9(3) . 4_556 ? O17 N13 O16 120.9(3) . . ? O16 N13 O16 118.3(5) 4_556 . ? O20 N14 O18 121.0(4) . . ? O20 N14 O19 120.2(4) . . ? O18 N14 O19 118.8(4) . . ? N11 O13 Ag4 129.0(3) . . ? N12 O14 Ag4 98.0(3) . . ? N13 O16 Ag5 95.2(3) . . ? N14 O18 Ag5 91.1(2) . . ? N14 O19 Ag5 98.6(3) . . ? Cl1 C21 Cl3 110.9(6) . . ? Cl1 C21 Cl2 112.9(6) . . ? Cl3 C21 Cl2 108.9(7) . . ? Cl1 C21 H21 108.0 . . ? Cl3 C21 H21 108.0 . . ? Cl2 C21 H21 108.0 . . ? Cl4 C22 Cl5 109.4(4) . . ? Cl4 C22 Cl6 109.1(4) . . ? Cl5 C22 Cl6 109.9(4) . . ? Cl4 C22 H22 109.5 . . ? Cl5 C22 H22 109.5 . . ? Cl6 C22 H22 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 N1 C1 C2 N2 -0.7(7) . . . . ? N1 C1 C2 C5 179.0(4) . . . . ? N2 C3 C4 N1 -1.5(7) . . . . ? N2 C2 C5 N3 3.6(5) . . . . ? C1 C2 C5 N3 -176.1(4) . . . . ? N2 C2 C5 C6 -175.7(4) . . . . ? C1 C2 C5 C6 4.6(6) . . . . ? N4 C8 C9 N5 -2.2(5) . . . . ? C7 C8 C9 N5 177.5(4) . . . . ? N4 C8 C9 C10 177.7(4) . . . . ? C7 C8 C9 C10 -2.6(6) . . . . ? N5 C9 C10 N6 2.3(6) . . . . ? C8 C9 C10 N6 -177.6(4) . . . . ? N6 C11 C12 N5 1.3(6) . . . . ? N7 C13 C14 N8 2.1(6) . . . . ? N7 C13 C14 C17 -177.0(4) . . . . ? N8 C15 C16 N7 1.8(7) . . . . ? N8 C14 C17 N9 6.3(5) . . . . ? C13 C14 C17 N9 -174.5(4) . . . . ? N8 C14 C17 C18 -172.2(4) . . . . ? C13 C14 C17 C18 6.9(6) . . . . ? C3 C4 N1 C1 0.8(7) . . . . ? C3 C4 N1 Ag1 160.3(4) . . . . ? C2 C1 N1 C4 0.3(7) . . . . ? C2 C1 N1 Ag1 -160.4(3) . . . . ? N7 Ag1 N1 C4 -70.8(4) 5_666 . . . ? N7 Ag1 N1 C4 109.2(4) . . . . ? N1 Ag1 N1 C4 -36.0(3) 5_666 . . . ? O11 Ag1 N1 C4 18.8(4) 8_665 . . . ? O11 Ag1 N1 C4 -161.2(4) 4_556 . . . ? N7 Ag1 N1 C1 88.7(3) 5_666 . . . ? N7 Ag1 N1 C1 -91.3(3) . . . . ? N1 Ag1 N1 C1 123.5(5) 5_666 . . . ? O11 Ag1 N1 C1 178.3(4) 8_665 . . . ? O11 Ag1 N1 C1 -1.7(4) 4_556 . . . ? C4 C3 N2 C2 1.0(6) . . . . ? C4 C3 N2 Ag2 -176.5(3) . . . . ? C1 C2 N2 C3 0.0(6) . . . . ? C5 C2 N2 C3 -179.7(4) . . . . ? C1 C2 N2 Ag2 177.7(3) . . . . ? C5 C2 N2 Ag2 -2.0(4) . . . . ? N2 Ag2 N2 C3 52.7(3) 4 . . . ? N3 Ag2 N2 C3 -57.4(4) 4 . . . ? N3 Ag2 N2 C3 177.7(4) . . . . ? N2 Ag2 N2 C2 -124.8(3) 4 . . . ? N3 Ag2 N2 C2 125.1(3) 4 . . . ? N3 Ag2 N2 C2 0.2(3) . . . . ? C6 C5 N3 N4 6.2(6) . . . . ? C2 C5 N3 N4 -173.1(3) . . . . ? C6 C5 N3 Ag2 176.0(3) . . . . ? C2 C5 N3 Ag2 -3.3(4) . . . . ? N2 Ag2 N3 C5 1.8(3) . . . . ? N2 Ag2 N3 C5 149.2(3) 4 . . . ? N3 Ag2 N3 C5 -117.6(3) 4 . . . ? N2 Ag2 N3 N4 171.0(3) . . . . ? N2 Ag2 N3 N4 -41.6(3) 4 . . . ? N3 Ag2 N3 N4 51.5(2) 4 . . . ? C7 C8 N4 N3 6.1(6) . . . . ? C9 C8 N4 N3 -174.2(3) . . . . ? C7 C8 N4 Ag3 -175.4(4) . . . . ? C9 C8 N4 Ag3 4.3(4) . . . . ? C5 N3 N4 C8 -107.9(4) . . . . ? Ag2 N3 N4 C8 83.1(4) . . . . ? C5 N3 N4 Ag3 73.6(4) . . . . ? Ag2 N3 N4 Ag3 -95.4(3) . . . . ? N8 Ag3 N4 C8 141.4(3) 2_565 . . . ? N5 Ag3 N4 C8 -3.6(3) . . . . ? N9 Ag3 N4 C8 -123.9(3) 2_565 . . . ? N8 Ag3 N4 N3 -40.1(3) 2_565 . . . ? N5 Ag3 N4 N3 174.9(3) . . . . ? N9 Ag3 N4 N3 54.6(3) 2_565 . . . ? C11 C12 N5 C9 -1.1(6) . . . . ? C11 C12 N5 Ag3 179.3(3) . . . . ? C10 C9 N5 C12 -0.6(6) . . . . ? C8 C9 N5 C12 179.3(3) . . . . ? C10 C9 N5 Ag3 179.0(3) . . . . ? C8 C9 N5 Ag3 -1.0(4) . . . . ? N8 Ag3 N5 C12 59.3(4) 2_565 . . . ? N4 Ag3 N5 C12 -178.1(4) . . . . ? N9 Ag3 N5 C12 -48.3(4) 2_565 . . . ? N8 Ag3 N5 C9 -120.3(3) 2_565 . . . ? N4 Ag3 N5 C9 2.2(3) . . . . ? N9 Ag3 N5 C9 132.1(3) 2_565 . . . ? C12 C11 N6 C10 0.3(6) . . . . ? C12 C11 N6 Ag4 -173.4(3) . . . . ? C9 C10 N6 C11 -2.1(6) . . . . ? C9 C10 N6 Ag4 172.0(3) . . . . ? N6 Ag4 N6 C11 91.8(3) 2 . . . ? O14 Ag4 N6 C11 -104.9(3) . . . . ? O14 Ag4 N6 C11 -66.8(4) 2 . . . ? O13 Ag4 N6 C11 12.5(3) 2 . . . ? O13 Ag4 N6 C11 169.3(3) . . . . ? N6 Ag4 N6 C10 -81.8(3) 2 . . . ? O14 Ag4 N6 C10 81.5(3) . . . . ? O14 Ag4 N6 C10 119.6(3) 2 . . . ? O13 Ag4 N6 C10 -161.1(3) 2 . . . ? O13 Ag4 N6 C10 -4.3(3) . . . . ? C15 C16 N7 C13 -2.0(6) . . . . ? C15 C16 N7 Ag1 165.1(3) . . . . ? C14 C13 N7 C16 0.1(6) . . . . ? C14 C13 N7 Ag1 -167.2(3) . . . . ? N7 Ag1 N7 C16 150.9(6) 5_666 . . . ? N1 Ag1 N7 C16 95.2(3) . . . . ? N1 Ag1 N7 C16 -84.8(3) 5_666 . . . ? O11 Ag1 N7 C16 174.8(3) 8_665 . . . ? O11 Ag1 N7 C16 -5.2(3) 4_556 . . . ? N7 Ag1 N7 C13 -42.4(3) 5_666 . . . ? N1 Ag1 N7 C13 -98.1(3) . . . . ? N1 Ag1 N7 C13 81.9(3) 5_666 . . . ? O11 Ag1 N7 C13 -18.5(3) 8_665 . . . ? O11 Ag1 N7 C13 161.5(3) 4_556 . . . ? C16 C15 N8 C14 0.4(6) . . . . ? C16 C15 N8 Ag3 -171.1(3) . . . 2_565 ? C13 C14 N8 C15 -2.2(5) . . . . ? C17 C14 N8 C15 176.9(3) . . . . ? C13 C14 N8 Ag3 169.9(3) . . . 2_565 ? C17 C14 N8 Ag3 -10.9(4) . . . 2_565 ? C18 C17 N9 N9 8.1(6) . . . 4_565 ? C14 C17 N9 N9 -170.4(3) . . . 4_565 ? C18 C17 N9 Ag3 179.8(3) . . . 2_565 ? C14 C17 N9 Ag3 1.3(4) . . . 2_565 ? O12 N11 O13 Ag4 -85.7(5) . . . . ? O11 N11 O13 Ag4 99.2(4) . . . . ? N6 Ag4 O13 N11 -128.8(4) 2 . . . ? N6 Ag4 O13 N11 96.6(4) . . . . ? O14 Ag4 O13 N11 0.9(4) . . . . ? O14 Ag4 O13 N11 -36.3(4) 2 . . . ? O13 Ag4 O13 N11 163.5(4) 2 . . . ? O15 N12 O14 Ag4 180.0 . . . . ? O14 N12 O14 Ag4 0.0 2 . . . ? N6 Ag4 O14 N12 -56.0(4) 2 . . . ? N6 Ag4 O14 N12 139.4(3) . . . . ? O14 Ag4 O14 N12 0.0 2 . . . ? O13 Ag4 O14 N12 54.4(3) 2 . . . ? O13 Ag4 O14 N12 -133.9(3) . . . . ? O17 N13 O16 Ag5 180.0 . . . . ? O16 N13 O16 Ag5 0.0 4_556 . . . ? O19 Ag5 O16 N13 23.0(3) 4_556 . . . ? O19 Ag5 O16 N13 -164.20(18) . . . . ? O16 Ag5 O16 N13 0.0 4_556 . . . ? O18 Ag5 O16 N13 -117.39(17) . . . . ? O18 Ag5 O16 N13 90.27(19) 4_556 . . . ? O20 N14 O18 Ag5 -178.2(3) . . . . ? O19 N14 O18 Ag5 2.0(4) . . . . ? O19 Ag5 O18 N14 137.5(2) 4_556 . . . ? O19 Ag5 O18 N14 -1.2(2) . . . . ? O16 Ag5 O18 N14 -69.7(3) . . . . ? O16 Ag5 O18 N14 -126.2(2) 4_556 . . . ? O18 Ag5 O18 N14 83.9(2) 4_556 . . . ? O20 N14 O19 Ag5 178.0(3) . . . . ? O18 N14 O19 Ag5 -2.2(4) . . . . ? O19 Ag5 O19 N14 -66.9(2) 4_556 . . . ? O16 Ag5 O19 N14 120.4(2) . . . . ? O16 Ag5 O19 N14 102.6(2) 4_556 . . . ? O18 Ag5 O19 N14 1.2(2) . . . . ? O18 Ag5 O19 N14 -115.5(2) 4_556 . . . ? _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 27.10 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 1.159 _refine_diff_density_min -1.008 _refine_diff_density_rms 0.119 #end ===== data_2 _database_code_depnum_ccdc_archive 'CCDC 210244' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ; [Ag2 (C12H12N6)2] (Sb6)2 (CH2Cl2) ; _chemical_formula_sum 'C25 H26 Ag2 Cl2 F12 N12 Sb2' _chemical_formula_weight 1252.72 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' F F 0.0171 0.0103 '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' Sb Sb -0.5866 1.5461 '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 Orthorhombic _symmetry_space_group_name_H-M 'P c c n' _symmetry_space_group_name_Hall '-P 2ab 2ac' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y+1/2, z' '-x, y+1/2, -z+1/2' 'x+1/2, -y, -z+1/2' '-x, -y, -z' 'x-1/2, y-1/2, -z' 'x, -y-1/2, z-1/2' '-x-1/2, y, z-1/2' _cell_length_a 15.9230(7) _cell_length_b 32.0114(15) _cell_length_c 14.5787(7) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 7431.0(6) _cell_formula_units_Z 8 _cell_measurement_temperature 150(1) _cell_measurement_reflns_used 9466 _cell_measurement_theta_min 2.282 _cell_measurement_theta_max 26.441 _exptl_crystal_description needle _exptl_crystal_colour yellow _exptl_crystal_size_max 0.46 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.06 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.239 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 4784 _exptl_absorpt_coefficient_mu 2.721 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.7395 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_process_details '(SADABS, Bruker, 2001)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 150(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 SMART APEX CCD diffractometer' _diffrn_measurement_method 'omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% none _diffrn_reflns_number 58821 _diffrn_reflns_av_R_equivalents 0.0403 _diffrn_reflns_av_sigmaI/netI 0.0242 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -39 _diffrn_reflns_limit_k_max 40 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 1.43 _diffrn_reflns_theta_max 26.44 _reflns_number_total 7641 _reflns_number_gt 6732 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART NT V5.625 (Bruker, 1998)' _computing_cell_refinement 'SAINT+ NT V6.22 (Bruker, 2001)' _computing_data_reduction 'SAINT+ NT V6.22' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXTL V6.1 (Sheldrick, 2000)' _computing_publication_material 'SHELXTL V6.1' _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^)+(0.0734P)^2^+31.5728P] 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 7641 _refine_ls_number_parameters 533 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0506 _refine_ls_R_factor_gt 0.0450 _refine_ls_wR_factor_ref 0.1323 _refine_ls_wR_factor_gt 0.1273 _refine_ls_goodness_of_fit_ref 1.052 _refine_ls_restrained_S_all 1.052 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.02289(2) 0.640896(14) 0.48652(3) 0.03415(12) Uani 1 1 d . . . Ag2 Ag 0.02900(3) 0.634047(11) 0.80549(3) 0.03175(12) Uani 1 1 d . . . C1 C 0.1904(4) 0.6551(2) 0.3621(4) 0.0464(15) Uani 1 1 d . . . H1 H 0.1519 0.6696 0.3237 0.056 Uiso 1 1 calc R . . C2 C 0.2733(4) 0.65162(19) 0.3350(4) 0.0420(13) Uani 1 1 d . . . H2 H 0.2903 0.6636 0.2784 0.050 Uiso 1 1 calc R . . C3 C 0.3022(3) 0.61573(16) 0.4647(4) 0.0337(11) Uani 1 1 d . . . H3 H 0.3411 0.6012 0.5024 0.040 Uiso 1 1 calc R . . C4 C 0.2198(3) 0.61907(15) 0.4935(3) 0.0286(10) Uani 1 1 d . . . C5 C 0.1911(3) 0.60084(15) 0.5820(3) 0.0285(10) Uani 1 1 d . . . C6 C 0.2534(4) 0.5819(2) 0.6454(4) 0.0444(14) Uani 1 1 d . . . H6A H 0.2266 0.5761 0.7045 0.067 Uiso 1 1 calc R . . H6B H 0.3002 0.6013 0.6545 0.067 Uiso 1 1 calc R . . H6C H 0.2746 0.5558 0.6190 0.067 Uiso 1 1 calc R . . C7 C 0.0464(3) 0.55192(16) 0.6787(3) 0.0295(10) Uani 1 1 d . . . C8 C 0.0459(5) 0.5236(2) 0.5966(4) 0.0526(17) Uani 1 1 d . . . H8A H 0.0396 0.5403 0.5407 0.079 Uiso 1 1 calc R . . H8B H -0.0011 0.5039 0.6015 0.079 Uiso 1 1 calc R . . H8C H 0.0988 0.5080 0.5940 0.079 Uiso 1 1 calc R . . C9 C 0.0061(3) 0.53782(16) 0.7651(3) 0.0283(10) Uani 1 1 d . . . C10 C -0.0087(4) 0.49599(18) 0.7828(4) 0.0412(13) Uani 1 1 d . . . H10 H 0.0081 0.4760 0.7382 0.049 Uiso 1 1 calc R . . C11 C -0.0691(4) 0.51144(19) 0.9183(4) 0.0415(13) Uani 1 1 d . . . H11 H -0.0965 0.5032 0.9732 0.050 Uiso 1 1 calc R . . C12 C -0.0552(3) 0.55334(17) 0.9026(4) 0.0343(11) Uani 1 1 d . . . H12 H -0.0736 0.5730 0.9470 0.041 Uiso 1 1 calc R . . C13 C -0.1381(4) 0.59657(18) 0.3901(4) 0.0428(13) Uani 1 1 d . . . H13 H -0.0982 0.5855 0.3482 0.051 Uiso 1 1 calc R . . C14 C -0.2221(5) 0.5920(2) 0.3714(4) 0.0512(17) Uani 1 1 d . . . H14 H -0.2384 0.5767 0.3186 0.061 Uiso 1 1 calc R . . C15 C -0.2539(4) 0.6271(2) 0.4996(4) 0.0418(13) Uani 1 1 d . . . H15 H -0.2941 0.6389 0.5403 0.050 Uiso 1 1 calc R . . C16 C -0.1692(3) 0.63048(15) 0.5214(3) 0.0290(10) Uani 1 1 d . . . C17 C -0.1423(3) 0.65085(15) 0.6090(3) 0.0284(10) Uani 1 1 d . . . C18 C -0.2031(4) 0.6536(2) 0.6874(4) 0.0456(15) Uani 1 1 d . . . H18A H -0.1727 0.6507 0.7455 0.068 Uiso 1 1 calc R . . H18B H -0.2448 0.6312 0.6821 0.068 Uiso 1 1 calc R . . H18C H -0.2316 0.6807 0.6859 0.068 Uiso 1 1 calc R . . C19 C -0.0387(3) 0.71950(15) 0.7085(3) 0.0256(9) Uani 1 1 d . . . C20 C -0.0731(4) 0.75118(17) 0.6434(4) 0.0404(13) Uani 1 1 d . . . H20A H -0.0873 0.7376 0.5852 0.061 Uiso 1 1 calc R . . H20B H -0.0309 0.7729 0.6325 0.061 Uiso 1 1 calc R . . H20C H -0.1236 0.7639 0.6697 0.061 Uiso 1 1 calc R . . C21 C -0.0020(3) 0.73353(15) 0.7966(3) 0.0249(9) Uani 1 1 d . . . C22 C -0.0076(3) 0.77508(15) 0.8252(4) 0.0289(10) Uani 1 1 d . . . H22 H -0.0360 0.7945 0.7870 0.035 Uiso 1 1 calc R . . C23 C 0.0648(4) 0.76041(19) 0.9543(4) 0.0410(13) Uani 1 1 d . . . H23 H 0.0902 0.7690 1.0102 0.049 Uiso 1 1 calc R . . C24 C 0.0701(4) 0.71888(18) 0.9281(4) 0.0398(13) Uani 1 1 d . . . H24 H 0.0987 0.6997 0.9667 0.048 Uiso 1 1 calc R . . N1 N 0.1629(3) 0.63858(14) 0.4410(3) 0.0357(10) Uani 1 1 d . . . N2 N 0.3293(3) 0.63214(14) 0.3856(3) 0.0379(10) Uani 1 1 d . . . N3 N 0.1118(3) 0.60245(12) 0.5965(3) 0.0270(8) Uani 1 1 d . . . N4 N 0.0805(3) 0.58785(13) 0.6790(3) 0.0271(8) Uani 1 1 d . . . N5 N -0.0168(2) 0.56732(13) 0.8273(3) 0.0268(8) Uani 1 1 d . . . N6 N -0.0452(4) 0.48237(17) 0.8590(4) 0.0477(13) Uani 1 1 d . . . N7 N -0.1109(3) 0.61605(13) 0.4652(3) 0.0319(9) Uani 1 1 d . . . N8 N -0.2808(4) 0.60815(18) 0.4242(4) 0.0508(14) Uani 1 1 d . . . N9 N -0.0676(2) 0.66489(12) 0.6117(3) 0.0239(8) Uani 1 1 d . . . N10 N -0.0388(2) 0.67990(13) 0.6946(3) 0.0262(8) Uani 1 1 d . . . N11 N 0.0361(3) 0.70515(14) 0.8499(3) 0.0323(9) Uani 1 1 d . . . N12 N 0.0252(3) 0.78853(14) 0.9033(3) 0.0342(10) Uani 1 1 d . . . Sb1 Sb 0.2500 0.7500 0.65119(4) 0.03935(15) Uani 1 2 d S . . F11 F 0.1668(3) 0.70865(15) 0.6509(3) 0.0676(12) Uani 1 1 d . . . F12 F 0.2500 0.7500 0.7785(4) 0.0656(17) Uani 1 2 d S . . F13 F 0.1671(3) 0.79082(17) 0.6516(4) 0.0876(17) Uani 1 1 d . . . F14 F 0.2500 0.7500 0.5237(4) 0.0693(19) Uani 1 2 d S . . Sb2 Sb 0.24003(3) 0.491293(13) 0.36920(3) 0.04173(13) Uani 1 1 d . . . F21 F 0.1620(3) 0.53442(14) 0.3624(4) 0.0850(16) Uani 1 1 d . . . F22 F 0.3264(3) 0.52942(14) 0.3865(5) 0.0912(18) Uani 1 1 d . . . F23 F 0.3180(3) 0.44801(13) 0.3772(4) 0.0745(13) Uani 1 1 d . . . F24 F 0.1578(4) 0.45136(16) 0.3521(5) 0.121(3) Uani 1 1 d . . . F25 F 0.2260(4) 0.4889(2) 0.4939(3) 0.0906(17) Uani 1 1 d . . . F26 F 0.2579(7) 0.49287(17) 0.2450(4) 0.179(5) Uani 1 1 d . . . Sb3 Sb 0.24494(11) 0.25834(3) 0.09456(5) 0.0309(3) Uani 0.50 1 d P . . F30 F 0.1535(7) 0.2941(3) 0.1017(8) 0.044(2) Uani 0.50 1 d P . . F31 F 0.1731(4) 0.2153(2) 0.0589(6) 0.0522(18) Uani 0.50 1 d P . . F32 F 0.2287(7) 0.2438(4) 0.2175(5) 0.064(3) Uani 0.50 1 d P . . F33 F 0.3366(8) 0.2230(3) 0.0850(11) 0.064(3) Uani 0.50 1 d P . . F34 F 0.2587(5) 0.2739(3) -0.0276(5) 0.059(2) Uani 0.50 1 d P . . F35 F 0.3160(5) 0.3014(2) 0.1309(6) 0.0534(19) Uani 0.50 1 d P . . C51 C 0.9895(17) 0.6080(5) 0.1244(15) 0.292(18) Uani 1 1 d . A 1 H51A H 1.0276 0.5868 0.0978 0.350 Uiso 1 1 calc R A 1 H51B H 0.9343 0.5944 0.1332 0.350 Uiso 1 1 calc R A 1 Cl1 Cl 1.0288(2) 0.62104(12) 0.2347(3) 0.1171(10) Uani 1 1 d . A 1 Cl2 Cl 0.9775(2) 0.64414(9) 0.0493(3) 0.1071(9) Uani 1 1 d . A 1 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 0.0306(2) 0.0415(2) 0.0304(2) 0.00303(16) 0.00471(15) 0.00225(15) Ag2 0.0425(2) 0.0236(2) 0.0291(2) -0.00327(14) -0.00525(16) 0.00115(15) C1 0.042(3) 0.059(4) 0.039(3) 0.014(3) 0.010(3) 0.012(3) C2 0.046(3) 0.041(3) 0.039(3) 0.007(3) 0.015(3) 0.004(3) C3 0.033(3) 0.030(3) 0.039(3) -0.002(2) 0.004(2) -0.001(2) C4 0.035(3) 0.020(2) 0.031(2) 0.0000(19) 0.002(2) -0.0014(19) C5 0.033(3) 0.025(2) 0.027(2) -0.0013(19) 0.003(2) 0.0022(19) C6 0.035(3) 0.054(4) 0.045(3) 0.014(3) 0.001(2) 0.007(3) C7 0.033(2) 0.028(2) 0.027(2) -0.005(2) 0.002(2) -0.001(2) C8 0.077(5) 0.046(4) 0.035(3) -0.016(3) 0.018(3) -0.024(3) C9 0.026(2) 0.031(3) 0.028(2) 0.0009(19) -0.0004(19) -0.0030(19) C10 0.055(3) 0.031(3) 0.038(3) -0.004(2) 0.007(3) -0.003(2) C11 0.034(3) 0.052(3) 0.039(3) 0.014(3) 0.006(2) -0.003(2) C12 0.032(3) 0.041(3) 0.030(3) 0.001(2) 0.004(2) 0.007(2) C13 0.063(4) 0.036(3) 0.029(3) -0.008(2) 0.000(3) -0.005(3) C14 0.078(5) 0.040(3) 0.036(3) -0.007(3) -0.018(3) -0.017(3) C15 0.039(3) 0.046(3) 0.041(3) -0.001(3) -0.003(2) -0.013(3) C16 0.038(3) 0.026(2) 0.024(2) 0.0015(18) -0.002(2) -0.007(2) C17 0.035(3) 0.026(2) 0.024(2) -0.0026(18) 0.002(2) -0.0040(19) C18 0.040(3) 0.060(4) 0.036(3) -0.014(3) 0.011(2) -0.020(3) C19 0.025(2) 0.025(2) 0.026(2) -0.0034(18) 0.0009(18) -0.0013(18) C20 0.057(4) 0.027(3) 0.038(3) 0.001(2) -0.013(3) -0.003(2) C21 0.021(2) 0.026(2) 0.028(2) -0.0039(19) 0.0024(18) -0.0017(17) C22 0.028(2) 0.024(2) 0.034(3) -0.004(2) 0.000(2) -0.0019(19) C23 0.039(3) 0.044(3) 0.040(3) -0.015(3) -0.009(2) 0.004(2) C24 0.047(3) 0.037(3) 0.035(3) -0.011(2) -0.014(2) 0.012(2) N1 0.037(2) 0.040(2) 0.031(2) 0.0059(19) 0.0066(19) 0.0058(19) N2 0.039(3) 0.031(2) 0.043(3) -0.0013(19) 0.010(2) -0.0015(19) N3 0.032(2) 0.025(2) 0.024(2) 0.0021(15) 0.0031(16) 0.0017(16) N4 0.028(2) 0.028(2) 0.0251(19) 0.0013(16) 0.0026(16) 0.0006(16) N5 0.0247(19) 0.031(2) 0.0251(19) 0.0027(17) -0.0010(15) 0.0027(16) N6 0.060(3) 0.037(3) 0.047(3) 0.007(2) 0.001(2) -0.011(2) N7 0.044(2) 0.027(2) 0.024(2) -0.0021(16) -0.0001(18) -0.0028(18) N8 0.055(3) 0.053(3) 0.044(3) -0.001(2) -0.017(3) -0.021(3) N9 0.0279(19) 0.0235(19) 0.0203(18) -0.0018(15) -0.0006(15) -0.0008(15) N10 0.028(2) 0.029(2) 0.0215(19) -0.0029(16) -0.0021(15) -0.0020(16) N11 0.037(2) 0.030(2) 0.030(2) -0.0063(17) -0.0073(18) 0.0050(18) N12 0.032(2) 0.032(2) 0.039(2) -0.0096(19) 0.0017(18) 0.0001(17) Sb1 0.0391(3) 0.0511(3) 0.0278(3) 0.000 0.000 0.0029(2) F11 0.072(3) 0.085(3) 0.046(2) 0.013(2) -0.0140(19) -0.031(2) F12 0.098(5) 0.070(4) 0.029(3) 0.000 0.000 -0.018(3) F13 0.077(3) 0.090(4) 0.096(4) 0.023(3) 0.024(3) 0.039(3) F14 0.050(3) 0.129(6) 0.029(3) 0.000 0.000 -0.020(3) Sb2 0.0620(3) 0.0341(2) 0.0291(2) 0.00118(15) -0.00268(16) -0.00065(17) F21 0.090(3) 0.051(3) 0.114(4) 0.000(2) -0.043(3) 0.019(2) F22 0.069(3) 0.046(3) 0.159(5) -0.009(3) 0.034(3) -0.010(2) F23 0.076(3) 0.042(2) 0.106(4) 0.008(2) 0.029(3) 0.012(2) F24 0.099(4) 0.054(3) 0.211(8) 0.021(4) -0.089(5) -0.017(3) F25 0.108(4) 0.125(5) 0.039(2) 0.009(3) 0.019(2) 0.033(3) F26 0.451(15) 0.055(3) 0.032(3) -0.002(2) 0.024(5) 0.040(5) Sb3 0.0287(5) 0.0347(8) 0.0294(3) -0.0026(3) -0.0021(3) 0.0005(7) F30 0.038(5) 0.038(6) 0.057(5) 0.000(5) 0.010(4) 0.005(4) F31 0.041(4) 0.047(4) 0.069(5) -0.011(4) -0.009(4) -0.010(3) F32 0.093(10) 0.065(8) 0.035(4) 0.015(4) -0.008(4) -0.008(6) F33 0.042(5) 0.045(7) 0.106(10) -0.017(6) -0.016(5) 0.014(6) F34 0.055(4) 0.090(6) 0.031(4) 0.005(4) 0.010(3) -0.001(4) F35 0.041(4) 0.042(4) 0.077(6) 0.001(4) -0.020(4) -0.007(3) C51 0.51(4) 0.082(10) 0.28(2) 0.074(12) -0.32(3) -0.090(16) Cl1 0.112(2) 0.112(2) 0.127(3) -0.023(2) 0.0124(19) -0.0096(17) Cl2 0.121(2) 0.0719(16) 0.128(3) -0.0054(16) 0.0114(19) -0.0091(14) _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 2.294(4) . ? Ag1 N1 2.328(5) . ? Ag1 N9 2.449(4) . ? Ag1 N3 2.468(4) . ? Ag1 N12 2.564(4) 7_575 ? Ag2 N5 2.279(4) . ? Ag2 N11 2.369(4) . ? Ag2 N10 2.435(4) . ? Ag2 N4 2.502(4) . ? Ag2 N2 2.542(5) 8_656 ? C1 N1 1.340(7) . ? C1 C2 1.383(8) . ? C1 H1 0.9500 . ? C2 N2 1.314(8) . ? C2 H2 0.9500 . ? C3 N2 1.338(7) . ? C3 C4 1.381(7) . ? C3 H3 0.9500 . ? C4 N1 1.340(7) . ? C4 C5 1.488(7) . ? C5 N3 1.281(6) . ? C5 C6 1.486(8) . ? C6 H6A 0.9800 . ? C6 H6B 0.9800 . ? C6 H6C 0.9800 . ? C7 N4 1.272(6) . ? C7 C9 1.485(7) . ? C7 C8 1.502(7) . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 N5 1.358(7) . ? C9 C10 1.384(7) . ? C10 N6 1.328(8) . ? C10 H10 0.9500 . ? C11 N6 1.325(8) . ? C11 C12 1.379(8) . ? C11 H11 0.9500 . ? C12 N5 1.334(7) . ? C12 H12 0.9500 . ? C13 N7 1.334(7) . ? C13 C14 1.372(10) . ? C13 H13 0.9500 . ? C14 N8 1.316(10) . ? C14 H14 0.9500 . ? C15 N8 1.328(8) . ? C15 C16 1.390(8) . ? C15 H15 0.9500 . ? C16 N7 1.322(7) . ? C16 C17 1.496(7) . ? C17 N9 1.272(6) . ? C17 C18 1.502(7) . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 N10 1.283(6) . ? C19 C21 1.481(7) . ? C19 C20 1.493(7) . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 N11 1.340(7) . ? C21 C22 1.397(7) . ? C22 N12 1.325(7) . ? C22 H22 0.9500 . ? C23 N12 1.327(8) . ? C23 C24 1.386(8) . ? C23 H23 0.9500 . ? C24 N11 1.336(7) . ? C24 H24 0.9500 . ? N2 Ag2 2.542(5) 8_655 ? N3 N4 1.383(6) . ? N9 N10 1.380(5) . ? N12 Ag1 2.564(4) 7_576 ? Sb1 F12 1.856(6) . ? Sb1 F13 1.857(5) . ? Sb1 F13 1.857(5) 2_565 ? Sb1 F14 1.859(6) . ? Sb1 F11 1.873(4) 2_565 ? Sb1 F11 1.873(4) . ? Sb2 F26 1.834(5) . ? Sb2 F25 1.834(4) . ? Sb2 F24 1.847(5) . ? Sb2 F22 1.856(5) . ? Sb2 F21 1.860(5) . ? Sb2 F23 1.864(4) . ? Sb3 Sb3 0.5576(14) 2 ? Sb3 F33 1.436(11) 2 ? Sb3 F31 1.638(7) 2 ? Sb3 F32 1.843(9) 2 ? Sb3 F33 1.852(11) . ? Sb3 F30 1.854(10) . ? Sb3 F35 1.860(7) . ? Sb3 F34 1.862(7) . ? Sb3 F31 1.864(7) . ? Sb3 F32 1.870(7) . ? Sb3 F34 2.059(8) 2 ? Sb3 F35 2.209(7) 2 ? F30 F33 0.619(10) 2 ? F30 Sb3 2.332(9) 2 ? F31 F35 1.190(11) 2 ? F31 Sb3 1.638(7) 2 ? F31 F34 1.700(12) 2 ? F32 F32 0.785(16) 2 ? F32 Sb3 1.843(9) 2 ? F33 F30 0.619(10) 2 ? F33 Sb3 1.436(11) 2 ? F34 F34 1.554(18) 2 ? F34 F31 1.700(12) 2 ? F34 Sb3 2.059(8) 2 ? F35 F31 1.190(11) 2 ? F35 Sb3 2.209(7) 2 ? C51 Cl2 1.604(14) . ? C51 Cl1 1.775(16) . ? C51 H51A 0.9900 . ? C51 H51B 0.9900 . ? 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 N1 147.10(16) . . ? N7 Ag1 N9 70.33(14) . . ? N1 Ag1 N9 141.81(15) . . ? N7 Ag1 N3 116.59(14) . . ? N1 Ag1 N3 67.64(14) . . ? N9 Ag1 N3 90.57(13) . . ? N7 Ag1 N12 104.75(14) . 7_575 ? N1 Ag1 N12 83.09(15) . 7_575 ? N9 Ag1 N12 94.85(14) . 7_575 ? N3 Ag1 N12 137.60(14) . 7_575 ? N5 Ag2 N11 151.33(15) . . ? N5 Ag2 N10 121.05(14) . . ? N11 Ag2 N10 67.88(14) . . ? N5 Ag2 N4 69.74(14) . . ? N11 Ag2 N4 138.92(15) . . ? N10 Ag2 N4 90.72(13) . . ? N5 Ag2 N2 101.38(14) . 8_656 ? N11 Ag2 N2 81.68(15) . 8_656 ? N10 Ag2 N2 135.47(15) . 8_656 ? N4 Ag2 N2 91.91(15) . 8_656 ? N1 C1 C2 121.6(6) . . ? N1 C1 H1 119.2 . . ? C2 C1 H1 119.2 . . ? N2 C2 C1 121.7(5) . . ? N2 C2 H2 119.1 . . ? C1 C2 H2 119.1 . . ? N2 C3 C4 122.5(5) . . ? N2 C3 H3 118.7 . . ? C4 C3 H3 118.7 . . ? N1 C4 C3 120.3(5) . . ? N1 C4 C5 118.0(5) . . ? C3 C4 C5 121.7(5) . . ? N3 C5 C6 124.9(5) . . ? N3 C5 C4 115.5(4) . . ? C6 C5 C4 119.6(5) . . ? C5 C6 H6A 109.5 . . ? C5 C6 H6B 109.5 . . ? H6A C6 H6B 109.5 . . ? C5 C6 H6C 109.5 . . ? H6A C6 H6C 109.5 . . ? H6B C6 H6C 109.5 . . ? N4 C7 C9 117.1(4) . . ? N4 C7 C8 123.5(5) . . ? C9 C7 C8 119.3(5) . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? N5 C9 C10 120.2(5) . . ? N5 C9 C7 118.1(4) . . ? C10 C9 C7 121.7(5) . . ? N6 C10 C9 123.2(5) . . ? N6 C10 H10 118.4 . . ? C9 C10 H10 118.4 . . ? N6 C11 C12 121.9(5) . . ? N6 C11 H11 119.0 . . ? C12 C11 H11 119.0 . . ? N5 C12 C11 122.5(5) . . ? N5 C12 H12 118.8 . . ? C11 C12 H12 118.8 . . ? N7 C13 C14 122.0(6) . . ? N7 C13 H13 119.0 . . ? C14 C13 H13 119.0 . . ? N8 C14 C13 122.3(5) . . ? N8 C14 H14 118.8 . . ? C13 C14 H14 118.8 . . ? N8 C15 C16 122.6(6) . . ? N8 C15 H15 118.7 . . ? C16 C15 H15 118.7 . . ? N7 C16 C15 120.9(5) . . ? N7 C16 C17 118.7(5) . . ? C15 C16 C17 120.5(5) . . ? N9 C17 C16 116.7(4) . . ? N9 C17 C18 124.0(5) . . ? C16 C17 C18 119.4(4) . . ? C17 C18 H18A 109.5 . . ? C17 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C17 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? N10 C19 C21 115.9(4) . . ? N10 C19 C20 124.8(4) . . ? C21 C19 C20 119.3(4) . . ? C19 C20 H20A 109.5 . . ? C19 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? C19 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? N11 C21 C22 120.1(4) . . ? N11 C21 C19 118.4(4) . . ? C22 C21 C19 121.5(4) . . ? N12 C22 C21 122.8(5) . . ? N12 C22 H22 118.6 . . ? C21 C22 H22 118.6 . . ? N12 C23 C24 121.7(5) . . ? N12 C23 H23 119.1 . . ? C24 C23 H23 119.1 . . ? N11 C24 C23 121.7(5) . . ? N11 C24 H24 119.1 . . ? C23 C24 H24 119.1 . . ? C1 N1 C4 117.0(5) . . ? C1 N1 Ag1 123.0(4) . . ? C4 N1 Ag1 120.0(3) . . ? C2 N2 C3 116.8(5) . . ? C2 N2 Ag2 109.4(4) . 8_655 ? C3 N2 Ag2 133.8(4) . 8_655 ? C5 N3 N4 119.0(4) . . ? C5 N3 Ag1 118.6(3) . . ? N4 N3 Ag1 121.8(3) . . ? C7 N4 N3 117.1(4) . . ? C7 N4 Ag2 113.4(3) . . ? N3 N4 Ag2 124.0(3) . . ? C12 N5 C9 116.0(4) . . ? C12 N5 Ag2 125.1(4) . . ? C9 N5 Ag2 118.2(3) . . ? C11 N6 C10 116.1(5) . . ? C16 N7 C13 116.3(5) . . ? C16 N7 Ag1 116.6(3) . . ? C13 N7 Ag1 125.1(4) . . ? C14 N8 C15 115.7(6) . . ? C17 N9 N10 117.5(4) . . ? C17 N9 Ag1 114.6(3) . . ? N10 N9 Ag1 124.5(3) . . ? C19 N10 N9 118.8(4) . . ? C19 N10 Ag2 119.4(3) . . ? N9 N10 Ag2 121.3(3) . . ? C24 N11 C21 117.1(5) . . ? C24 N11 Ag2 124.6(4) . . ? C21 N11 Ag2 118.1(3) . . ? C22 N12 C23 116.6(5) . . ? C22 N12 Ag1 133.4(4) . 7_576 ? C23 N12 Ag1 109.9(3) . 7_576 ? F12 Sb1 F13 89.81(17) . . ? F12 Sb1 F13 89.81(17) . 2_565 ? F13 Sb1 F13 179.6(3) . 2_565 ? F12 Sb1 F14 180.000(3) . . ? F13 Sb1 F14 90.19(17) . . ? F13 Sb1 F14 90.19(17) 2_565 . ? F12 Sb1 F11 90.13(12) . 2_565 ? F13 Sb1 F11 90.3(3) . 2_565 ? F13 Sb1 F11 89.7(3) 2_565 2_565 ? F14 Sb1 F11 89.87(12) . 2_565 ? F12 Sb1 F11 90.13(12) . . ? F13 Sb1 F11 89.7(3) . . ? F13 Sb1 F11 90.3(3) 2_565 . ? F14 Sb1 F11 89.87(12) . . ? F11 Sb1 F11 179.7(2) 2_565 . ? F26 Sb2 F25 177.9(4) . . ? F26 Sb2 F24 89.8(4) . . ? F25 Sb2 F24 91.1(3) . . ? F26 Sb2 F22 90.1(4) . . ? F25 Sb2 F22 89.0(3) . . ? F24 Sb2 F22 177.3(2) . . ? F26 Sb2 F21 91.8(3) . . ? F25 Sb2 F21 90.1(2) . . ? F24 Sb2 F21 91.9(3) . . ? F22 Sb2 F21 90.8(2) . . ? F26 Sb2 F23 88.8(3) . . ? F25 Sb2 F23 89.4(2) . . ? F24 Sb2 F23 88.1(2) . . ? F22 Sb2 F23 89.3(2) . . ? F21 Sb2 F23 179.5(2) . . ? Sb3 Sb3 F33 131.2(6) 2 2 ? Sb3 Sb3 F31 105.2(5) 2 2 ? F33 Sb3 F31 118.4(6) 2 2 ? Sb3 Sb3 F32 84.1(4) 2 2 ? F33 Sb3 F32 108.5(8) 2 2 ? F31 Sb3 F32 98.4(4) 2 2 ? Sb3 Sb3 F33 35.7(5) 2 . ? F33 Sb3 F33 163.6(7) 2 . ? F31 Sb3 F33 70.3(5) 2 . ? F32 Sb3 F33 82.6(6) 2 . ? Sb3 Sb3 F30 144.8(6) 2 . ? F33 Sb3 F30 16.1(7) 2 . ? F31 Sb3 F30 109.0(4) 2 . ? F32 Sb3 F30 98.5(6) 2 . ? F33 Sb3 F30 178.8(5) . . ? Sb3 Sb3 F35 122.2(4) 2 . ? F33 Sb3 F35 105.7(6) 2 . ? F31 Sb3 F35 39.1(4) 2 . ? F32 Sb3 F35 67.2(4) 2 . ? F33 Sb3 F35 89.6(5) . . ? F30 Sb3 F35 90.3(4) . . ? Sb3 Sb3 F34 102.8(3) 2 . ? F33 Sb3 F34 84.4(7) 2 . ? F31 Sb3 F34 57.7(4) 2 . ? F32 Sb3 F34 156.0(4) 2 . ? F33 Sb3 F34 89.9(6) . . ? F30 Sb3 F34 88.9(4) . . ? F35 Sb3 F34 90.2(4) . . ? Sb3 Sb3 F31 58.0(4) 2 . ? F33 Sb3 F31 74.0(6) 2 . ? F31 Sb3 F31 141.3(5) 2 . ? F32 Sb3 F31 112.5(4) 2 . ? F33 Sb3 F31 90.7(5) . . ? F30 Sb3 F31 89.4(4) . . ? F35 Sb3 F31 179.6(4) . . ? F34 Sb3 F31 90.2(4) . . ? Sb3 Sb3 F32 78.6(4) 2 . ? F33 Sb3 F32 94.1(7) 2 . ? F31 Sb3 F32 122.8(4) 2 . ? F32 Sb3 F32 24.4(5) 2 . ? F33 Sb3 F32 91.7(7) . . ? F30 Sb3 F32 89.4(6) . . ? F35 Sb3 F32 89.7(4) . . ? F34 Sb3 F32 178.4(5) . . ? F31 Sb3 F32 89.9(4) . . ? Sb3 Sb3 F34 61.9(3) 2 2 ? F33 Sb3 F34 95.7(6) 2 2 ? F31 Sb3 F34 90.3(4) 2 2 ? F32 Sb3 F34 146.0(5) 2 2 ? F33 Sb3 F34 69.6(5) . 2 ? F30 Sb3 F34 109.6(4) . 2 ? F35 Sb3 F34 129.4(4) . 2 ? F34 Sb3 F34 46.4(5) . 2 ? F31 Sb3 F34 51.1(4) . 2 ? F32 Sb3 F34 134.5(4) . 2 ? Sb3 Sb3 F35 45.4(4) 2 2 ? F33 Sb3 F35 89.2(5) 2 2 ? F31 Sb3 F35 150.7(3) 2 2 ? F32 Sb3 F35 80.5(4) 2 2 ? F33 Sb3 F35 80.6(5) . 2 ? F30 Sb3 F35 100.1(4) . 2 ? F35 Sb3 F35 147.2(5) . 2 ? F34 Sb3 F35 120.8(4) . 2 ? F31 Sb3 F35 32.6(3) . 2 ? F32 Sb3 F35 59.6(4) . 2 ? F34 Sb3 F35 76.2(3) 2 2 ? F33 F30 Sb3 40(2) 2 . ? F33 F30 Sb3 34(2) 2 2 ? Sb3 F30 Sb3 7.92(12) . 2 ? F35 F31 Sb3 80.6(5) 2 2 ? F35 F31 F34 130.8(7) 2 2 ? Sb3 F31 F34 67.8(4) 2 2 ? F35 F31 Sb3 89.8(6) 2 . ? Sb3 F31 Sb3 16.78(9) 2 . ? F34 F31 Sb3 70.4(4) 2 . ? F32 F32 Sb3 79.7(4) 2 2 ? F32 F32 Sb3 75.9(4) 2 . ? Sb3 F32 Sb3 17.25(8) 2 . ? F30 F33 Sb3 124(3) 2 2 ? F30 F33 Sb3 135(3) 2 . ? Sb3 F33 Sb3 13.09(16) 2 . ? F34 F34 F31 108.3(6) 2 2 ? F34 F34 Sb3 73.5(3) 2 . ? F31 F34 Sb3 54.5(3) 2 . ? F34 F34 Sb3 60.1(3) 2 2 ? F31 F34 Sb3 58.5(3) 2 2 ? Sb3 F34 Sb3 15.31(8) . 2 ? F31 F35 Sb3 60.3(4) 2 . ? F31 F35 Sb3 57.6(4) 2 2 ? Sb3 F35 Sb3 12.33(9) . 2 ? Cl2 C51 Cl1 119.4(9) . . ? Cl2 C51 H51A 107.5 . . ? Cl1 C51 H51A 107.5 . . ? Cl2 C51 H51B 107.5 . . ? Cl1 C51 H51B 107.5 . . ? H51A C51 H51B 107.0 . . ? 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 N1 C1 C2 N2 -0.4(11) . . . . ? N2 C3 C4 N1 1.4(8) . . . . ? N2 C3 C4 C5 -179.6(5) . . . . ? N1 C4 C5 N3 5.7(7) . . . . ? C3 C4 C5 N3 -173.3(5) . . . . ? N1 C4 C5 C6 -175.2(5) . . . . ? C3 C4 C5 C6 5.7(8) . . . . ? N4 C7 C9 N5 21.3(7) . . . . ? C8 C7 C9 N5 -159.2(5) . . . . ? N4 C7 C9 C10 -159.1(5) . . . . ? C8 C7 C9 C10 20.3(8) . . . . ? N5 C9 C10 N6 0.1(9) . . . . ? C7 C9 C10 N6 -179.4(6) . . . . ? N6 C11 C12 N5 -0.2(9) . . . . ? N7 C13 C14 N8 3.2(10) . . . . ? N8 C15 C16 N7 2.6(9) . . . . ? N8 C15 C16 C17 -177.8(5) . . . . ? N7 C16 C17 N9 21.5(7) . . . . ? C15 C16 C17 N9 -158.0(5) . . . . ? N7 C16 C17 C18 -158.4(5) . . . . ? C15 C16 C17 C18 22.1(8) . . . . ? N10 C19 C21 N11 7.2(7) . . . . ? C20 C19 C21 N11 -173.4(5) . . . . ? N10 C19 C21 C22 -171.8(5) . . . . ? C20 C19 C21 C22 7.6(7) . . . . ? N11 C21 C22 N12 1.6(8) . . . . ? C19 C21 C22 N12 -179.5(4) . . . . ? N12 C23 C24 N11 0.4(10) . . . . ? C2 C1 N1 C4 1.1(9) . . . . ? C2 C1 N1 Ag1 -177.1(5) . . . . ? C3 C4 N1 C1 -1.6(8) . . . . ? C5 C4 N1 C1 179.4(5) . . . . ? C3 C4 N1 Ag1 176.7(4) . . . . ? C5 C4 N1 Ag1 -2.4(6) . . . . ? N7 Ag1 N1 C1 72.9(6) . . . . ? N9 Ag1 N1 C1 -122.7(5) . . . . ? N3 Ag1 N1 C1 177.7(5) . . . . ? N12 Ag1 N1 C1 -33.6(5) 7_575 . . . ? N7 Ag1 N1 C4 -105.2(4) . . . . ? N9 Ag1 N1 C4 59.2(5) . . . . ? N3 Ag1 N1 C4 -0.4(4) . . . . ? N12 Ag1 N1 C4 148.2(4) 7_575 . . . ? C1 C2 N2 C3 0.1(9) . . . . ? C1 C2 N2 Ag2 179.6(5) . . . 8_655 ? C4 C3 N2 C2 -0.6(8) . . . . ? C4 C3 N2 Ag2 -180.0(4) . . . 8_655 ? C6 C5 N3 N4 3.9(8) . . . . ? C4 C5 N3 N4 -177.1(4) . . . . ? C6 C5 N3 Ag1 174.9(4) . . . . ? C4 C5 N3 Ag1 -6.1(6) . . . . ? N7 Ag1 N3 C5 147.8(4) . . . . ? N1 Ag1 N3 C5 3.7(4) . . . . ? N9 Ag1 N3 C5 -144.0(4) . . . . ? N12 Ag1 N3 C5 -46.2(4) 7_575 . . . ? N7 Ag1 N3 N4 -41.5(4) . . . . ? N1 Ag1 N3 N4 174.5(4) . . . . ? N9 Ag1 N3 N4 26.7(3) . . . . ? N12 Ag1 N3 N4 124.5(3) 7_575 . . . ? C9 C7 N4 N3 -174.7(4) . . . . ? C8 C7 N4 N3 5.9(8) . . . . ? C9 C7 N4 Ag2 -19.7(6) . . . . ? C8 C7 N4 Ag2 160.9(5) . . . . ? C5 N3 N4 C7 -102.1(6) . . . . ? Ag1 N3 N4 C7 87.2(5) . . . . ? C5 N3 N4 Ag2 105.8(4) . . . . ? Ag1 N3 N4 Ag2 -64.9(4) . . . . ? N5 Ag2 N4 C7 10.7(3) . . . . ? N11 Ag2 N4 C7 -168.3(3) . . . . ? N10 Ag2 N4 C7 -112.3(4) . . . . ? N2 Ag2 N4 C7 112.2(4) 8_656 . . . ? N5 Ag2 N4 N3 163.8(4) . . . . ? N11 Ag2 N4 N3 -15.3(5) . . . . ? N10 Ag2 N4 N3 40.7(4) . . . . ? N2 Ag2 N4 N3 -94.8(4) 8_656 . . . ? C11 C12 N5 C9 1.7(7) . . . . ? C11 C12 N5 Ag2 -169.1(4) . . . . ? C10 C9 N5 C12 -1.7(7) . . . . ? C7 C9 N5 C12 177.9(4) . . . . ? C10 C9 N5 Ag2 169.8(4) . . . . ? C7 C9 N5 Ag2 -10.6(6) . . . . ? N11 Ag2 N5 C12 -10.1(6) . . . . ? N10 Ag2 N5 C12 -110.8(4) . . . . ? N4 Ag2 N5 C12 171.2(4) . . . . ? N2 Ag2 N5 C12 83.3(4) 8_656 . . . ? N11 Ag2 N5 C9 179.3(3) . . . . ? N10 Ag2 N5 C9 78.6(4) . . . . ? N4 Ag2 N5 C9 0.6(3) . . . . ? N2 Ag2 N5 C9 -87.2(4) 8_656 . . . ? C12 C11 N6 C10 -1.3(9) . . . . ? C9 C10 N6 C11 1.3(9) . . . . ? C15 C16 N7 C13 -3.3(7) . . . . ? C17 C16 N7 C13 177.2(5) . . . . ? C15 C16 N7 Ag1 161.7(4) . . . . ? C17 C16 N7 Ag1 -17.8(6) . . . . ? C14 C13 N7 C16 0.6(8) . . . . ? C14 C13 N7 Ag1 -163.0(5) . . . . ? N1 Ag1 N7 C16 177.6(3) . . . . ? N9 Ag1 N7 C16 7.8(3) . . . . ? N3 Ag1 N7 C16 88.2(4) . . . . ? N12 Ag1 N7 C16 -82.1(4) 7_575 . . . ? N1 Ag1 N7 C13 -18.9(6) . . . . ? N9 Ag1 N7 C13 171.3(5) . . . . ? N3 Ag1 N7 C13 -108.3(4) . . . . ? N12 Ag1 N7 C13 81.4(5) 7_575 . . . ? C13 C14 N8 C15 -3.7(10) . . . . ? C16 C15 N8 C14 1.0(9) . . . . ? C16 C17 N9 N10 -173.5(4) . . . . ? C18 C17 N9 N10 6.4(8) . . . . ? C16 C17 N9 Ag1 -13.4(6) . . . . ? C18 C17 N9 Ag1 166.5(5) . . . . ? N7 Ag1 N9 C17 3.7(3) . . . . ? N1 Ag1 N9 C17 -167.4(3) . . . . ? N3 Ag1 N9 C17 -114.5(4) . . . . ? N12 Ag1 N9 C17 107.6(4) 7_575 . . . ? N7 Ag1 N9 N10 162.2(4) . . . . ? N1 Ag1 N9 N10 -8.9(5) . . . . ? N3 Ag1 N9 N10 44.1(3) . . . . ? N12 Ag1 N9 N10 -93.8(3) 7_575 . . . ? C21 C19 N10 N9 -176.3(4) . . . . ? C20 C19 N10 N9 4.3(7) . . . . ? C21 C19 N10 Ag2 -4.7(5) . . . . ? C20 C19 N10 Ag2 176.0(4) . . . . ? C17 N9 N10 C19 -99.8(5) . . . . ? Ag1 N9 N10 C19 102.2(4) . . . . ? C17 N9 N10 Ag2 88.7(5) . . . . ? Ag1 N9 N10 Ag2 -69.3(4) . . . . ? N5 Ag2 N10 C19 150.7(3) . . . . ? N11 Ag2 N10 C19 1.3(3) . . . . ? N4 Ag2 N10 C19 -142.7(4) . . . . ? N2 Ag2 N10 C19 -49.2(4) 8_656 . . . ? N5 Ag2 N10 N9 -37.8(4) . . . . ? N11 Ag2 N10 N9 172.8(4) . . . . ? N4 Ag2 N10 N9 28.8(3) . . . . ? N2 Ag2 N10 N9 122.2(3) 8_656 . . . ? C23 C24 N11 C21 1.5(9) . . . . ? C23 C24 N11 Ag2 -173.4(4) . . . . ? C22 C21 N11 C24 -2.4(7) . . . . ? C19 C21 N11 C24 178.6(5) . . . . ? C22 C21 N11 Ag2 172.9(4) . . . . ? C19 C21 N11 Ag2 -6.1(6) . . . . ? N5 Ag2 N11 C24 62.9(6) . . . . ? N10 Ag2 N11 C24 177.6(5) . . . . ? N4 Ag2 N11 C24 -118.9(5) . . . . ? N2 Ag2 N11 C24 -35.6(5) 8_656 . . . ? N5 Ag2 N11 C21 -112.0(4) . . . . ? N10 Ag2 N11 C21 2.7(3) . . . . ? N4 Ag2 N11 C21 66.2(4) . . . . ? N2 Ag2 N11 C21 149.5(4) 8_656 . . . ? C21 C22 N12 C23 0.4(8) . . . . ? C21 C22 N12 Ag1 -175.7(3) . . . 7_576 ? C24 C23 N12 C22 -1.4(8) . . . . ? C24 C23 N12 Ag1 175.6(5) . . . 7_576 ? F31 Sb3 F30 Sb3 166.1(7) 2 . . 2 ? F32 Sb3 F30 Sb3 -91.9(6) 2 . . 2 ? F35 Sb3 F30 Sb3 -158.8(6) . . . 2 ? F34 Sb3 F30 Sb3 111.0(6) . . . 2 ? F31 Sb3 F30 Sb3 20.8(6) . . . 2 ? F32 Sb3 F30 Sb3 -69.1(6) . . . 2 ? F34 Sb3 F30 Sb3 68.7(6) 2 . . 2 ? F35 Sb3 F30 Sb3 -10.1(5) 2 . . 2 ? Sb3 Sb3 F31 F35 56.1(5) 2 . . 2 ? F33 Sb3 F31 F35 -114.8(8) 2 . . 2 ? F31 Sb3 F31 F35 129.5(8) 2 . . 2 ? F32 Sb3 F31 F35 -11.0(8) 2 . . 2 ? F33 Sb3 F31 F35 71.2(7) . . . 2 ? F30 Sb3 F31 F35 -109.9(6) . . . 2 ? F35 Sb3 F31 F35 -62(54) . . . 2 ? F34 Sb3 F31 F35 161.1(6) . . . 2 ? F32 Sb3 F31 F35 -20.5(7) . . . 2 ? F34 Sb3 F31 F35 134.0(7) 2 . . 2 ? F33 Sb3 F31 Sb3 -170.8(7) 2 . . 2 ? F31 Sb3 F31 Sb3 73.4(6) 2 . . 2 ? F32 Sb3 F31 Sb3 -67.1(5) 2 . . 2 ? F33 Sb3 F31 Sb3 15.1(5) . . . 2 ? F30 Sb3 F31 Sb3 -166.0(4) . . . 2 ? F34 Sb3 F31 Sb3 105.1(4) . . . 2 ? F32 Sb3 F31 Sb3 -76.6(5) . . . 2 ? F34 Sb3 F31 Sb3 77.9(4) 2 . . 2 ? F35 Sb3 F31 Sb3 -56.1(5) 2 . . 2 ? Sb3 Sb3 F31 F34 -77.9(4) 2 . . 2 ? F33 Sb3 F31 F34 111.3(7) 2 . . 2 ? F31 Sb3 F31 F34 -4.5(5) 2 . . 2 ? F32 Sb3 F31 F34 -145.0(6) 2 . . 2 ? F33 Sb3 F31 F34 -62.7(6) . . . 2 ? F30 Sb3 F31 F34 116.1(5) . . . 2 ? F34 Sb3 F31 F34 27.2(6) . . . 2 ? F32 Sb3 F31 F34 -154.5(6) . . . 2 ? F35 Sb3 F31 F34 -134.0(7) 2 . . 2 ? Sb3 Sb3 F32 F32 101(2) 2 . . 2 ? F33 Sb3 F32 F32 -128(2) 2 . . 2 ? F33 Sb3 F32 F32 68(2) . . . 2 ? F30 Sb3 F32 F32 -112(2) . . . 2 ? F35 Sb3 F32 F32 -22(2) . . . 2 ? F34 Sb3 F32 F32 130.3(18) 2 . . 2 ? F35 Sb3 F32 F32 146(2) 2 . . 2 ? F33 Sb3 F32 Sb3 131.3(6) 2 . . 2 ? F31 Sb3 F32 Sb3 -100.9(6) 2 . . 2 ? F33 Sb3 F32 Sb3 -33.4(5) . . . 2 ? F30 Sb3 F32 Sb3 146.7(6) . . . 2 ? F35 Sb3 F32 Sb3 -123.0(5) . . . 2 ? F34 Sb3 F32 Sb3 151(14) . . . 2 ? F31 Sb3 F32 Sb3 57.3(4) . . . 2 ? F34 Sb3 F32 Sb3 29.2(6) 2 . . 2 ? F35 Sb3 F32 Sb3 44.6(5) 2 . . 2 ? F35 Sb3 F33 F30 -25(3) 2 . . 2 ? F33 Sb3 F33 Sb3 -43(4) 2 . . 2 ? F31 Sb3 F33 Sb3 -167.9(9) 2 . . 2 ? F32 Sb3 F33 Sb3 90.3(7) 2 . . 2 ? F35 Sb3 F33 Sb3 157.3(7) . . . 2 ? F34 Sb3 F33 Sb3 -112.5(7) . . . 2 ? F31 Sb3 F33 Sb3 -22.3(7) . . . 2 ? F32 Sb3 F33 Sb3 67.6(7) . . . 2 ? F34 Sb3 F33 Sb3 -69.9(7) 2 . . 2 ? F35 Sb3 F33 Sb3 8.8(6) 2 . . 2 ? Sb3 Sb3 F34 F34 27.7(7) 2 . . 2 ? F33 Sb3 F34 F34 -103.3(7) 2 . . 2 ? F31 Sb3 F34 F34 127.8(7) 2 . . 2 ? F32 Sb3 F34 F34 132.4(12) 2 . . 2 ? F33 Sb3 F34 F34 61.3(7) . . . 2 ? F30 Sb3 F34 F34 -118.8(6) . . . 2 ? F35 Sb3 F34 F34 150.9(6) . . . 2 ? F31 Sb3 F34 F34 -29.4(6) . . . 2 ? F35 Sb3 F34 F34 -17.7(7) 2 . . 2 ? Sb3 Sb3 F34 F31 -100.1(5) 2 . . 2 ? F33 Sb3 F34 F31 128.9(7) 2 . . 2 ? F32 Sb3 F34 F31 4.6(14) 2 . . 2 ? F33 Sb3 F34 F31 -66.5(6) . . . 2 ? F30 Sb3 F34 F31 113.4(5) . . . 2 ? F35 Sb3 F34 F31 23.1(4) . . . 2 ? F31 Sb3 F34 F31 -157.2(2) . . . 2 ? F34 Sb3 F34 F31 -127.8(7) 2 . . 2 ? F35 Sb3 F34 F31 -145.5(4) 2 . . 2 ? F33 Sb3 F34 Sb3 -131.1(6) 2 . . 2 ? F31 Sb3 F34 Sb3 100.1(5) 2 . . 2 ? F32 Sb3 F34 Sb3 104.7(14) 2 . . 2 ? F33 Sb3 F34 Sb3 33.5(5) . . . 2 ? F30 Sb3 F34 Sb3 -146.5(6) . . . 2 ? F35 Sb3 F34 Sb3 123.2(5) . . . 2 ? F31 Sb3 F34 Sb3 -57.1(4) . . . 2 ? F32 Sb3 F34 Sb3 -151(14) . . . 2 ? F34 Sb3 F34 Sb3 -27.7(7) 2 . . 2 ? F35 Sb3 F34 Sb3 -45.4(4) 2 . . 2 ? Sb3 Sb3 F35 F31 73.6(6) 2 . . 2 ? F33 Sb3 F35 F31 -115.9(8) 2 . . 2 ? F32 Sb3 F35 F31 140.2(7) 2 . . 2 ? F33 Sb3 F35 F31 58.2(7) . . . 2 ? F30 Sb3 F35 F31 -120.7(6) . . . 2 ? F34 Sb3 F35 F31 -31.7(6) . . . 2 ? F32 Sb3 F35 F31 149.9(7) . . . 2 ? F34 Sb3 F35 F31 -4.7(7) 2 . . 2 ? F35 Sb3 F35 F31 130.0(7) 2 . . 2 ? F33 Sb3 F35 Sb3 170.5(7) 2 . . 2 ? F31 Sb3 F35 Sb3 -73.6(6) 2 . . 2 ? F32 Sb3 F35 Sb3 66.7(6) 2 . . 2 ? F33 Sb3 F35 Sb3 -15.4(5) . . . 2 ? F30 Sb3 F35 Sb3 165.8(4) . . . 2 ? F34 Sb3 F35 Sb3 -105.3(4) . . . 2 ? F32 Sb3 F35 Sb3 76.3(5) . . . 2 ? F34 Sb3 F35 Sb3 -78.2(4) 2 . . 2 ? F35 Sb3 F35 Sb3 56.43(17) 2 . . 2 ? _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 26.44 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 1.157 _refine_diff_density_min -2.223 _refine_diff_density_rms 0.192