data_1100782 _chemical_formula_sum 'C113 H146 Ag4 Cl2 N12 ' _chemical_formula_moiety 'C113 H146 Ag4 Cl2 N12 ' _chemical_formula_weight 2174.85 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/m 1' _symmetry_space_group_name_Hall '-P 2yb' _symmetry_Int_Tables_number 11 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '+X,+Y,+Z' 2 '-X,1/2+Y,-Z' 3 '-X,-Y,-Z' 4 '+X,1/2-Y,+Z' _cell_length_a 14.866(4) _cell_length_b 28.120(7) _cell_length_c 17.752(5) _cell_angle_alpha 90 _cell_angle_beta 118.873(3) _cell_angle_gamma 90 _cell_volume 6498.5(33) _cell_formula_units_Z 2 _cell_measurement_reflns_used 14115 _cell_measurement_theta_min 4.1 _cell_measurement_theta_max 27.5 _cell_measurement_temperature 153.1 _exptl_crystal_description 'prism' _exptl_crystal_colour 'colorless' _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.20 _exptl_crystal_density_diffrn 1.111 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2260.00 _exptl_absorpt_coefficient_mu 0.676 _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details ; Higashi, T. (1999). Program for Absorption Correction. Rigaku Corporation, Tokyo, Japan. ; _exptl_absorpt_correction_T_min 0.845 _exptl_absorpt_correction_T_max 0.874 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7107 _diffrn_measurement_device_type 'Rigaku Mercury' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 7.31 _diffrn_reflns_number 51621 _diffrn_reflns_av_R_equivalents 0.050 _diffrn_reflns_theta_max 27.48 _diffrn_measured_fraction_theta_max 0.9871 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.9871 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -34 _diffrn_reflns_limit_k_max 36 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 16 _reflns_number_total 44453 _reflns_number_gt 13680 _reflns_threshold_expression F^2^>2.0\s(F^2^) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0500 _refine_ls_wR_factor_ref 0.0520 _refine_ls_hydrogen_treatment refall _refine_ls_number_reflns 13680 _refine_ls_number_parameters 681 _refine_ls_goodness_of_fit_ref 1.065 _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w = 1/[0.0005Fo^2^ + 1.0000\s(Fo^2^)]' _refine_ls_shift/su_max 0.0000 _refine_diff_density_max 0.89 _refine_diff_density_min -0.66 _refine_ls_extinction_method 'Larson (1970) Crystallographic Computing eq. 22' _refine_ls_extinction_coef 588.7(67) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.003 0.002 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 'H' 'H' 0.000 0.000 ; International Tables for Crystallography (1992, Vol. C, Table 6.1.1.4) ; 'Ag' 'Ag' -0.897 1.101 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 'Cl' 'Cl' 0.148 0.159 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 'N' 'N' 0.006 0.003 ; International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4) ; 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 Ag(1) Ag 0.28805(2) 0.143710(10) 0.10556(2) 0.03869(8) Uani 1.00 1 d . . . Ag(2) Ag 0.20194(2) 0.145370(10) 0.40093(2) 0.03677(8) Uani 1.00 1 d . . . Cl(1) Cl -0.0339(6) 0.2500 0.1634(2) 0.232(2) Uani 1.00 2 d S . . Cl(2) Cl -0.0292(5) 0.2500 0.0118(5) 0.355(5) Uani 1.00 2 d S . . N(1) N 0.4003(2) 0.10064(10) 0.2029(2) 0.0350(7) Uani 1.00 1 d . . . N(2) N 0.3353(2) 0.10208(10) 0.4457(2) 0.0408(8) Uani 1.00 1 d . . . N(3) N 0.2127(3) 0.16576(13) 0.2359(2) 0.0553(11) Uani 1.00 1 d . . . N(4) N 0.1906(3) 0.16473(9) -0.0238(2) 0.0414(8) Uani 1.00 1 d . . . N(5) N 0.3268(4) 0.2500 0.1535(3) 0.058(2) Uani 1.00 2 d S . . N(6) N 0.0501(2) 0.16456(9) 0.3719(2) 0.0336(7) Uani 1.00 1 d . . . N(7) N 0.2574(3) 0.2500 0.4278(4) 0.058(2) Uani 1.00 2 d S . . C(1) C 0.3623(3) 0.10840(12) 0.3208(2) 0.0369(9) Uani 1.00 1 d . . . C(2) C 0.4170(3) 0.08970(11) 0.2808(2) 0.0353(9) Uani 1.00 1 d . . . C(3) C 0.3830(3) 0.09054(12) 0.4025(2) 0.0371(9) Uani 1.00 1 d . . . C(4) C 0.2793(3) 0.14085(12) 0.2747(2) 0.0379(9) Uani 1.00 1 d . . . C(5) C 0.4636(3) 0.07602(11) 0.1736(2) 0.0354(9) Uani 1.00 1 d . . . C(6) C 0.5560(3) 0.09668(13) 0.1865(3) 0.0462(11) Uani 1.00 1 d . . . C(7) C 0.6143(3) 0.0712(1) 0.1616(3) 0.0544(13) Uani 1.00 1 d . . . C(8) C 0.5864(3) 0.0282(1) 0.1212(3) 0.0465(11) Uani 1.00 1 d . . . C(9) C 0.4897(3) 0.0092(2) 0.1036(3) 0.0519(11) Uani 1.00 1 d . . . C(10) C 0.4279(3) 0.03259(13) 0.1299(2) 0.0397(9) Uani 1.00 1 d . . . C(11) C 0.5903(4) 0.1443(2) 0.2305(4) 0.073(2) Uani 1.00 1 d . . . C(12) C 0.615(2) 0.1774(3) 0.172(2) 0.347(13) Uani 1.00 1 d . . . C(13) C 0.6797(8) 0.1408(4) 0.3103(12) 0.290(7) Uani 1.00 1 d . . . C(14) C 0.3205(3) 0.0121(2) 0.1084(3) 0.0504(11) Uani 1.00 1 d . . . C(15) C 0.2622(4) -0.0023(2) 0.0161(3) 0.067(2) Uani 1.00 1 d . . . C(16) C 0.3351(5) -0.0285(3) 0.1696(4) 0.112(3) Uani 1.00 1 d . . . C(17) C 0.3570(3) 0.07412(13) 0.5194(2) 0.0412(10) Uani 1.00 1 d . . . C(18) C 0.3237(3) 0.0262(1) 0.5089(3) 0.0442(10) Uani 1.00 1 d . . . C(19) C 0.3404(3) 0.0001(2) 0.5831(3) 0.0584(13) Uani 1.00 1 d . . . C(20) C 0.3829(4) 0.0223(2) 0.6625(3) 0.067(2) Uani 1.00 1 d . . . C(21) C 0.4145(4) 0.0683(2) 0.6706(3) 0.072(2) Uani 1.00 1 d . . . C(22) C 0.4027(3) 0.0968(2) 0.6002(3) 0.0544(12) Uani 1.00 1 d . . . C(23) C 0.2705(4) 0.0018(2) 0.4235(3) 0.0577(13) Uani 1.00 1 d . . . C(24) C 0.3362(6) -0.0384(2) 0.4145(4) 0.105(2) Uani 1.00 1 d . . . C(25) C 0.1631(5) -0.0121(3) 0.4023(4) 0.115(3) Uani 1.00 1 d . . . C(26) C 0.4315(6) 0.1470(2) 0.6088(4) 0.085(2) Uani 1.00 1 d . . . C(27) C 0.5395(10) 0.1560(5) 0.6429(13) 0.257(7) Uani 1.00 1 d . . . C(28) C 0.3937(12) 0.1736(3) 0.6580(9) 0.202(6) Uani 1.00 1 d . . . C(29) C 0.1960(4) 0.2500 -0.0081(3) 0.0345(12) Uani 1.00 2 d S . . C(30) C 0.1649(3) 0.20670(11) -0.0543(2) 0.0368(9) Uani 1.00 1 d . . . C(31) C 0.2715(4) 0.2500 0.0829(3) 0.0375(13) Uani 1.00 2 d S . . C(32) C 0.1592(4) 0.12674(13) -0.0877(2) 0.0495(11) Uani 1.00 1 d . . . C(33) C 0.0652(4) 0.1029(1) -0.1100(3) 0.0630(13) Uani 1.00 1 d . . . C(34) C 0.0337(5) 0.0694(2) -0.1765(4) 0.076(2) Uani 1.00 1 d . . . C(35) C 0.0930(5) 0.0598(2) -0.2130(3) 0.066(2) Uani 1.00 1 d . . . C(36) C 0.1871(5) 0.0819(2) -0.1870(3) 0.068(2) Uani 1.00 1 d . . . C(37) C 0.2208(5) 0.11809(13) -0.1223(3) 0.0618(13) Uani 1.00 1 d . . . C(38) C -0.0007(5) 0.1107(2) -0.0682(5) 0.092(2) Uani 1.00 1 d . . . C(39) C -0.0259(7) 0.0656(3) -0.0385(5) 0.115(3) Uani 1.00 1 d . . . C(40) C -0.0954(6) 0.1368(3) -0.1249(9) 0.162(4) Uani 1.00 1 d . . . C(41) C 0.3214(5) 0.1425(2) -0.0948(3) 0.068(2) Uani 1.00 1 d . . . C(42) C 0.3164(9) 0.1788(3) -0.1586(6) 0.164(5) Uani 1.00 1 d . . . C(43) C 0.4156(6) 0.1105(2) -0.0733(4) 0.106(2) Uani 1.00 1 d . . . C(44) C 0.0631(3) 0.2500 0.3795(3) 0.0297(11) Uani 1.00 2 d S . . C(45) C 0.0114(3) 0.20606(11) 0.3680(2) 0.0347(9) Uani 1.00 1 d . . . C(46) C 0.1688(4) 0.2500 0.4037(3) 0.0330(12) Uani 1.00 2 d S . . C(47) C -0.0123(3) 0.12320(11) 0.3601(2) 0.0377(9) Uani 1.00 1 d . . . C(48) C -0.0241(3) 0.10494(13) 0.4298(3) 0.0503(12) Uani 1.00 1 d . . . C(49) C -0.0814(4) 0.0635(2) 0.4160(4) 0.063(2) Uani 1.00 1 d . . . C(50) C -0.1297(4) 0.0426(1) 0.3362(4) 0.061(1) Uani 1.00 1 d . . . C(51) C -0.1148(4) 0.05944(13) 0.2714(3) 0.0573(13) Uani 1.00 1 d . . . C(52) C -0.0541(3) 0.09943(12) 0.2812(3) 0.0488(11) Uani 1.00 1 d . . . C(53) C 0.0333(4) 0.1275(2) 0.5189(3) 0.065(2) Uani 1.00 1 d . . . C(54) C 0.1264(6) 0.0989(3) 0.5776(4) 0.136(3) Uani 1.00 1 d . . . C(55) C -0.0313(6) 0.1302(3) 0.5648(5) 0.106(3) Uani 1.00 1 d . . . C(56) C -0.0393(3) 0.1161(1) 0.2094(3) 0.0501(11) Uani 1.00 1 d . . . C(57) C -0.1359(5) 0.1262(2) 0.1230(3) 0.079(2) Uani 1.00 1 d . . . C(58) C 0.0278(5) 0.0781(2) 0.1943(4) 0.085(2) Uani 1.00 1 d . . . C(59) C 0.0443(10) 0.2500 0.1093(11) 0.125(5) Uani 1.00 2 d S . . H(1) H 0.4697 0.0672 0.3121 0.044 Uiso 1.00 1 c R . . H(2) H 0.4377 0.0683 0.4292 0.045 Uiso 1.00 1 c R . . H(3) H 0.6765 0.0848 0.1689 0.067 Uiso 1.00 1 c R . . H(4) H 0.6300 0.0107 0.1061 0.060 Uiso 1.00 1 c R . . H(5) H 0.4673 -0.0203 0.0743 0.062 Uiso 1.00 1 c R . . H(6) H 0.5355 0.1593 0.2346 0.087 Uiso 1.00 1 c R . . H(7) H 0.6874 0.1734 0.1990 0.547 Uiso 1.00 1 c R . . H(8) H 0.5995 0.2096 0.1773 0.547 Uiso 1.00 1 c R . . H(9) H 0.5854 0.1692 0.1131 0.547 Uiso 1.00 1 c R . . H(10) H 0.6591 0.1358 0.3527 0.262 Uiso 1.00 1 c R . . H(11) H 0.7201 0.1689 0.3237 0.262 Uiso 1.00 1 c R . . H(12) H 0.7190 0.1144 0.3094 0.262 Uiso 1.00 1 c R . . H(13) H 0.2824 0.0370 0.1162 0.055 Uiso 1.00 1 c R . . H(14) H 0.2218 0.0234 -0.0184 0.076 Uiso 1.00 1 c R . . H(15) H 0.2187 -0.0281 0.0117 0.076 Uiso 1.00 1 c R . . H(16) H 0.3088 -0.0122 -0.0031 0.076 Uiso 1.00 1 c R . . H(17) H 0.3413 -0.0579 0.1461 0.125 Uiso 1.00 1 c R . . H(18) H 0.2752 -0.0290 0.1760 0.125 Uiso 1.00 1 c R . . H(19) H 0.3938 -0.0237 0.2242 0.125 Uiso 1.00 1 c R . . H(20) H 0.3229 -0.0327 0.5772 0.065 Uiso 1.00 1 c R . . H(21) H 0.3875 0.0054 0.7106 0.080 Uiso 1.00 1 c R . . H(22) H 0.4469 0.0828 0.7258 0.086 Uiso 1.00 1 c R . . H(23) H 0.2640 0.0252 0.3826 0.067 Uiso 1.00 1 c R . . H(24) H 0.3792 -0.0262 0.3932 0.117 Uiso 1.00 1 c R . . H(25) H 0.2917 -0.0618 0.3760 0.117 Uiso 1.00 1 c R . . H(26) H 0.3774 -0.0523 0.4695 0.117 Uiso 1.00 1 c R . . H(27) H 0.1628 -0.0432 0.4233 0.134 Uiso 1.00 1 c R . . H(28) H 0.1185 -0.0113 0.3419 0.134 Uiso 1.00 1 c R . . H(29) H 0.1402 0.0101 0.4297 0.134 Uiso 1.00 1 c R . . H(30) H 0.4070 0.1600 0.5528 0.098 Uiso 1.00 1 c R . . H(31) H 0.5609 0.1591 0.7025 0.285 Uiso 1.00 1 c R . . H(32) H 0.5602 0.1833 0.6236 0.285 Uiso 1.00 1 c R . . H(33) H 0.5702 0.1285 0.6339 0.285 Uiso 1.00 1 c R . . H(34) H 0.3279 0.1858 0.6186 0.270 Uiso 1.00 1 c R . . H(35) H 0.4391 0.1992 0.6867 0.270 Uiso 1.00 1 c R . . H(36) H 0.3880 0.1539 0.6989 0.270 Uiso 1.00 1 c R . . H(37) H 0.1184 0.2092 -0.1141 0.038 Uiso 1.00 1 c R . . H(38) H -0.0278 0.0518 -0.1941 0.084 Uiso 1.00 1 c R . . H(39) H 0.0697 0.0379 -0.2595 0.074 Uiso 1.00 1 c R . . H(40) H 0.2276 0.0731 -0.2129 0.083 Uiso 1.00 1 c R . . H(41) H 0.0360 0.1306 -0.0195 0.105 Uiso 1.00 1 c R . . H(42) H -0.0891 0.0539 -0.0833 0.146 Uiso 1.00 1 c R . . H(43) H -0.0328 0.0718 0.0111 0.146 Uiso 1.00 1 c R . . H(44) H 0.0265 0.0426 -0.0250 0.146 Uiso 1.00 1 c R . . H(45) H -0.0862 0.1703 -0.1182 0.184 Uiso 1.00 1 c R . . H(46) H -0.1486 0.1274 -0.1130 0.184 Uiso 1.00 1 c R . . H(47) H -0.1134 0.1283 -0.1822 0.184 Uiso 1.00 1 c R . . H(48) H 0.3363 0.1594 -0.0438 0.092 Uiso 1.00 1 c R . . H(49) H 0.3363 0.1636 -0.1961 0.230 Uiso 1.00 1 c R . . H(50) H 0.3592 0.2056 -0.1328 0.230 Uiso 1.00 1 c R . . H(51) H 0.2469 0.1888 -0.1904 0.230 Uiso 1.00 1 c R . . H(52) H 0.4480 0.0991 -0.0158 0.130 Uiso 1.00 1 c R . . H(53) H 0.4632 0.1287 -0.0826 0.130 Uiso 1.00 1 c R . . H(54) H 0.3923 0.0843 -0.1119 0.130 Uiso 1.00 1 c R . . H(55) H -0.0586 0.2074 0.3548 0.045 Uiso 1.00 1 c R . . H(56) H -0.0886 0.0506 0.4622 0.083 Uiso 1.00 1 c R . . H(57) H -0.1723 0.0157 0.3273 0.076 Uiso 1.00 1 c R . . H(58) H -0.1456 0.0432 0.2178 0.072 Uiso 1.00 1 c R . . H(59) H 0.0537 0.1587 0.5130 0.087 Uiso 1.00 1 c R . . H(60) H 0.1078 0.0756 0.6062 0.149 Uiso 1.00 1 c R . . H(61) H 0.1763 0.1197 0.6189 0.149 Uiso 1.00 1 c R . . H(62) H 0.1541 0.0838 0.5455 0.149 Uiso 1.00 1 c R . . H(63) H -0.0706 0.1587 0.5495 0.135 Uiso 1.00 1 c R . . H(64) H 0.0141 0.1299 0.6251 0.135 Uiso 1.00 1 c R . . H(65) H -0.0760 0.1036 0.5495 0.135 Uiso 1.00 1 c R . . H(66) H -0.0013 0.1449 0.2271 0.057 Uiso 1.00 1 c R . . H(67) H -0.1579 0.0980 0.0894 0.095 Uiso 1.00 1 c R . . H(68) H -0.1251 0.1505 0.0910 0.095 Uiso 1.00 1 c R . . H(69) H -0.1870 0.1361 0.1371 0.095 Uiso 1.00 1 c R . . H(70) H 0.0987 0.0850 0.2299 0.117 Uiso 1.00 1 c R . . H(71) H 0.0117 0.0792 0.1356 0.117 Uiso 1.00 1 c R . . H(72) H 0.0132 0.0473 0.2076 0.117 Uiso 1.00 1 c R . . H(73) H 0.089(4) 0.279(2) 0.133(3) 0.056(12) Uiso 1.00 1 c . . .