data_1100781 _chemical_formula_sum 'C56 H78 Ag2 Cl4 N4 ' _chemical_formula_moiety 'C56 H78 Ag2 Cl4 N4 ' _chemical_formula_weight 1164.81 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' _symmetry_Int_Tables_number 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '+X,+Y,+Z' 2 '-X,-Y,-Z' _cell_length_a 11.160(8) _cell_length_b 12.854(9) _cell_length_c 21.44(2) _cell_angle_alpha 82.84(3) _cell_angle_beta 83.35(3) _cell_angle_gamma 85.24(3) _cell_volume 3023(3) _cell_formula_units_Z 2 _cell_measurement_reflns_used 18481 _cell_measurement_theta_min 3.1 _cell_measurement_theta_max 27.5 _cell_measurement_temperature 153.1 _exptl_crystal_description 'prism' _exptl_crystal_colour 'colorless' _exptl_crystal_size_max 0.10 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.10 _exptl_crystal_density_diffrn 1.279 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1208.00 _exptl_absorpt_coefficient_mu 0.858 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; Higashi, T. (1995). Program for Absorption Correction. Rigaku Corporation, Tokyo, Japan. ; _exptl_absorpt_correction_T_min 0.280 _exptl_absorpt_correction_T_max 0.918 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7107 _diffrn_measurement_device_type 'Rigaku RAXIS-RAPID' _diffrn_measurement_method \w _diffrn_detector_area_resol_mean 10.00 _diffrn_reflns_number 29183 _diffrn_reflns_av_R_equivalents 0.064 _diffrn_reflns_theta_max 27.48 _diffrn_measured_fraction_theta_max 0.9758 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.9758 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_limit_l_max 27 _reflns_number_total 27911 _reflns_number_gt 7678 _reflns_threshold_expression F^2^>2.0\s(F^2^) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0640 _refine_ls_wR_factor_ref 0.0650 _refine_ls_hydrogen_treatment refall _refine_ls_number_reflns 7678 _refine_ls_number_parameters 674 _refine_ls_goodness_of_fit_ref 1.048 _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w = 1/[0.0005Fo^2^ + 1.4000\s(Fo^2^)]' _refine_ls_shift/su_max 0.0000 _refine_diff_density_max 4.37 _refine_diff_density_min -1.89 _refine_ls_extinction_method 'Larson (1970) Crystallographic Computing eq. 22' _refine_ls_extinction_coef 248(57) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.003 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 0.89202(7) 0.08546(6) 0.59391(4) 0.0249(2) Uani 1.00 1 d . . . Ag(2) Ag 0.59893(7) 0.39884(6) -0.08768(4) 0.0210(2) Uani 1.00 1 d . . . Cl(1) Cl 0.6423(3) 0.2296(3) 0.1523(1) 0.063(1) Uani 1.00 1 d . . . Cl(2) Cl 0.4944(4) 0.2488(3) 0.0492(1) 0.066(1) Uani 1.00 1 d . . . Cl(3) Cl 0.2371(3) 0.6838(3) 0.2111(1) 0.0508(9) Uani 1.00 1 d . . . Cl(4) Cl 0.2806(3) 0.8487(2) 0.2872(2) 0.058(1) Uani 1.00 1 d . . . N(1) N 0.8956(7) 0.2315(6) 0.5366(4) 0.033(2) Uani 1.00 1 d . . . N(2) N 1.1003(7) 0.0685(6) 0.3587(3) 0.029(2) Uani 1.00 1 d . . . N(3) N 0.7635(6) 0.4212(5) -0.0547(3) 0.025(2) Uani 1.00 1 d . . . N(4) N 0.5774(7) 0.6112(5) 0.1135(3) 0.024(2) Uani 1.00 1 d . . . C(1) C 1.0001(8) 0.1461(7) 0.4477(4) 0.024(3) Uani 1.00 1 d . . . C(2) C 0.9446(8) 0.2339(7) 0.4763(4) 0.025(3) Uani 1.00 1 d . . . C(3) C 1.0504(8) 0.1494(6) 0.3877(4) 0.024(3) Uani 1.00 1 d . . . C(4) C 0.8466(8) 0.3246(6) 0.5572(4) 0.022(2) Uani 1.00 1 d . . . C(5) C 0.913(1) 0.3874(7) 0.5842(4) 0.036(3) Uani 1.00 1 d . . . C(6) C 0.858(1) 0.4845(8) 0.6064(6) 0.051(4) Uani 1.00 1 d . . . C(7) C 0.740(1) 0.5161(7) 0.5959(5) 0.043(3) Uani 1.00 1 d . . . C(8) C 0.6701(9) 0.4491(8) 0.5705(5) 0.036(3) Uani 1.00 1 d . . . C(9) C 0.7227(8) 0.3556(7) 0.5515(4) 0.022(3) Uani 1.00 1 d . . . C(10) C 1.043(1) 0.3548(8) 0.5946(4) 0.030(3) Uani 1.00 1 d . . . C(11) C 1.053(1) 0.2959(9) 0.6646(6) 0.053(4) Uani 1.00 1 d . . . C(12) C 1.124(1) 0.439(1) 0.5876(6) 0.063(4) Uani 1.00 1 d . . . C(13) C 0.6440(8) 0.2830(9) 0.5202(5) 0.030(3) Uani 1.00 1 d . . . C(14) C 0.512(1) 0.282(1) 0.5553(7) 0.073(5) Uani 1.00 1 d . . . C(15) C 0.645(1) 0.319(1) 0.4505(5) 0.054(4) Uani 1.00 1 d . . . C(16) C 1.153(1) 0.0856(8) 0.2956(4) 0.031(3) Uani 1.00 1 d . . . C(17) C 1.0770(9) 0.0752(8) 0.2470(4) 0.036(3) Uani 1.00 1 d . . . C(18) C 1.133(1) 0.0935(7) 0.1833(4) 0.042(3) Uani 1.00 1 d . . . C(19) C 1.250(1) 0.1155(8) 0.1700(5) 0.040(3) Uani 1.00 1 d . . . C(20) C 1.319(1) 0.1210(8) 0.2158(5) 0.048(3) Uani 1.00 1 d . . . C(21) C 1.268(1) 0.1051(7) 0.2789(4) 0.038(3) Uani 1.00 1 d . . . C(22) C 0.948(1) 0.0485(7) 0.2625(5) 0.031(3) Uani 1.00 1 d . . . C(23) C 0.858(1) 0.1471(9) 0.2639(6) 0.061(4) Uani 1.00 1 d . . . C(24) C 0.916(1) -0.025(1) 0.2188(6) 0.061(4) Uani 1.00 1 d . . . C(25) C 1.3554(8) 0.1029(7) 0.3343(5) 0.030(3) Uani 1.00 1 d . . . C(26) C 1.485(1) 0.065(1) 0.3135(6) 0.072(5) Uani 1.00 1 d . . . C(27) C 1.343(1) 0.2110(9) 0.3574(6) 0.056(4) Uani 1.00 1 d . . . C(28) C 0.6659(7) 0.5151(6) 0.0286(4) 0.019(2) Uani 1.00 1 d . . . C(29) C 0.7725(7) 0.4785(6) -0.0033(4) 0.015(2) Uani 1.00 1 d . . . C(30) C 0.6763(8) 0.5737(6) 0.0828(4) 0.019(2) Uani 1.00 1 d . . . C(31) C 0.8808(9) 0.3839(7) -0.0884(4) 0.030(3) Uani 1.00 1 d . . . C(32) C 0.9362(9) 0.4476(8) -0.1353(4) 0.031(3) Uani 1.00 1 d . . . C(33) C 1.0395(8) 0.4054(8) -0.1675(5) 0.033(3) Uani 1.00 1 d . . . C(34) C 1.0889(9) 0.3008(7) -0.1579(5) 0.036(3) Uani 1.00 1 d . . . C(35) C 1.0137(8) 0.2339(8) -0.1057(5) 0.032(3) Uani 1.00 1 d . . . C(36) C 0.9155(8) 0.2777(8) -0.0718(4) 0.030(3) Uani 1.00 1 d . . . C(37) C 0.8971(9) 0.5620(7) -0.1493(5) 0.039(3) Uani 1.00 1 d . . . C(38) C 0.971(1) 0.6314(9) -0.1213(6) 0.058(4) Uani 1.00 1 d . . . C(39) C 0.899(1) 0.5933(9) -0.2219(5) 0.049(4) Uani 1.00 1 d . . . C(40) C 0.844(1) 0.2041(8) -0.0246(6) 0.045(4) Uani 1.00 1 d . . . C(41) C 0.785(1) 0.132(1) -0.0508(7) 0.075(5) Uani 1.00 1 d . . . C(42) C 0.925(1) 0.153(1) 0.0278(6) 0.068(4) Uani 1.00 1 d . . . C(43) C 0.6003(7) 0.6645(6) 0.1663(4) 0.013(2) Uani 1.00 1 d . . . C(44) C 0.6203(8) 0.6022(8) 0.2233(4) 0.027(3) Uani 1.00 1 d . . . C(45) C 0.6381(8) 0.6573(9) 0.2735(4) 0.038(3) Uani 1.00 1 d . . . C(46) C 0.6333(8) 0.7638(8) 0.2683(5) 0.033(3) Uani 1.00 1 d . . . C(47) C 0.6056(7) 0.8201(8) 0.2127(5) 0.031(3) Uani 1.00 1 d . . . C(48) C 0.5888(9) 0.7727(8) 0.1606(5) 0.034(3) Uani 1.00 1 d . . . C(49) C 0.6179(9) 0.4872(8) 0.2301(5) 0.034(3) Uani 1.00 1 d . . . C(50) C 0.695(1) 0.4283(9) 0.2853(5) 0.052(3) Uani 1.00 1 d . . . C(51) C 0.487(1) 0.4515(8) 0.2429(5) 0.039(3) Uani 1.00 1 d . . . C(52) C 0.562(1) 0.8392(8) 0.1004(5) 0.035(3) Uani 1.00 1 d . . . C(53) C 0.678(1) 0.851(1) 0.0575(5) 0.053(4) Uani 1.00 1 d . . . C(54) C 0.493(1) 0.9401(8) 0.1089(6) 0.052(4) Uani 1.00 1 d . . . C(55) C 0.523(1) 0.304(1) 0.1154(6) 0.074(5) Uani 1.00 1 d . . . C(56) C 0.315(1) 0.7124(8) 0.2765(4) 0.041(3) Uani 1.00 1 d . . . H(1) H 0.9971 0.0794 0.4723 0.031 Uiso 1.00 1 c R . . H(2) H 0.9446 0.2996 0.4506 0.029 Uiso 1.00 1 c R . . H(3) H 1.0544 0.2168 0.3640 0.027 Uiso 1.00 1 c R . . H(4) H 0.9017 0.5280 0.6268 0.060 Uiso 1.00 1 c R . . H(5) H 0.7039 0.5815 0.6074 0.050 Uiso 1.00 1 c R . . H(6) H 0.5882 0.4697 0.5643 0.043 Uiso 1.00 1 c R . . H(7) H 1.0729 0.3048 0.5665 0.038 Uiso 1.00 1 c R . . H(8) H 1.0540 0.3453 0.6939 0.064 Uiso 1.00 1 c R . . H(9) H 1.1202 0.2463 0.6679 0.064 Uiso 1.00 1 c R . . H(10) H 0.9801 0.2605 0.6738 0.064 Uiso 1.00 1 c R . . H(11) H 1.1586 0.4483 0.5448 0.077 Uiso 1.00 1 c R . . H(12) H 1.1865 0.4198 0.6143 0.077 Uiso 1.00 1 c R . . H(13) H 1.0828 0.5033 0.5982 0.077 Uiso 1.00 1 c R . . H(14) H 0.6811 0.2136 0.5233 0.038 Uiso 1.00 1 c R . . H(15) H 0.5086 0.2263 0.5887 0.087 Uiso 1.00 1 c R . . H(16) H 0.4588 0.2711 0.5254 0.087 Uiso 1.00 1 c R . . H(17) H 0.4872 0.3468 0.5718 0.087 Uiso 1.00 1 c R . . H(18) H 0.5800 0.3706 0.4454 0.066 Uiso 1.00 1 c R . . H(19) H 0.6355 0.2622 0.4277 0.066 Uiso 1.00 1 c R . . H(20) H 0.7193 0.3495 0.4348 0.066 Uiso 1.00 1 c R . . H(21) H 1.0851 0.0886 0.1499 0.049 Uiso 1.00 1 c R . . H(22) H 1.2836 0.1242 0.1271 0.046 Uiso 1.00 1 c R . . H(23) H 1.4007 0.1388 0.2057 0.057 Uiso 1.00 1 c R . . H(24) H 0.9405 0.0120 0.3039 0.038 Uiso 1.00 1 c R . . H(25) H 0.8503 0.1699 0.3047 0.074 Uiso 1.00 1 c R . . H(26) H 0.7794 0.1373 0.2530 0.074 Uiso 1.00 1 c R . . H(27) H 0.8946 0.1986 0.2338 0.074 Uiso 1.00 1 c R . . H(28) H 0.8835 0.0166 0.1841 0.072 Uiso 1.00 1 c R . . H(29) H 0.8580 -0.0714 0.2394 0.072 Uiso 1.00 1 c R . . H(30) H 0.9870 -0.0646 0.2040 0.072 Uiso 1.00 1 c R . . H(31) H 1.3188 0.0584 0.3687 0.035 Uiso 1.00 1 c R . . H(32) H 1.4907 -0.0100 0.3215 0.087 Uiso 1.00 1 c R . . H(33) H 1.5378 0.0925 0.3378 0.087 Uiso 1.00 1 c R . . H(34) H 1.5071 0.0851 0.2698 0.087 Uiso 1.00 1 c R . . H(35) H 1.4102 0.2445 0.3348 0.070 Uiso 1.00 1 c R . . H(36) H 1.3472 0.2088 0.4015 0.070 Uiso 1.00 1 c R . . H(37) H 1.2701 0.2491 0.3465 0.070 Uiso 1.00 1 c R . . H(38) H 0.5875 0.5048 0.0183 0.023 Uiso 1.00 1 c R . . H(39) H 0.8480 0.4923 0.0092 0.016 Uiso 1.00 1 c R . . H(40) H 0.7539 0.5813 0.0951 0.021 Uiso 1.00 1 c R . . H(41) H 1.0774 0.4484 -0.2023 0.041 Uiso 1.00 1 c R . . H(42) H 1.1615 0.2747 -0.1801 0.048 Uiso 1.00 1 c R . . H(43) H 1.0403 0.1619 -0.0976 0.037 Uiso 1.00 1 c R . . H(44) H 0.8173 0.5706 -0.1289 0.043 Uiso 1.00 1 c R . . H(45) H 0.9446 0.6362 -0.0780 0.072 Uiso 1.00 1 c R . . H(46) H 0.9731 0.7001 -0.1436 0.072 Uiso 1.00 1 c R . . H(47) H 1.0498 0.5969 -0.1251 0.072 Uiso 1.00 1 c R . . H(48) H 0.9738 0.6227 -0.2364 0.059 Uiso 1.00 1 c R . . H(49) H 0.8344 0.6448 -0.2295 0.059 Uiso 1.00 1 c R . . H(50) H 0.8911 0.5348 -0.2438 0.059 Uiso 1.00 1 c R . . H(51) H 0.7775 0.2451 -0.0058 0.053 Uiso 1.00 1 c R . . H(52) H 0.7077 0.1563 -0.0626 0.090 Uiso 1.00 1 c R . . H(53) H 0.7793 0.0686 -0.0228 0.090 Uiso 1.00 1 c R . . H(54) H 0.8380 0.1184 -0.0876 0.090 Uiso 1.00 1 c R . . H(55) H 0.9614 0.0877 0.0165 0.079 Uiso 1.00 1 c R . . H(56) H 0.8740 0.1419 0.0663 0.079 Uiso 1.00 1 c R . . H(57) H 0.9862 0.1976 0.0330 0.079 Uiso 1.00 1 c R . . H(58) H 0.6568 0.6183 0.3122 0.046 Uiso 1.00 1 c R . . H(59) H 0.6454 0.7971 0.3040 0.040 Uiso 1.00 1 c R . . H(60) H 0.5993 0.8945 0.2107 0.040 Uiso 1.00 1 c R . . H(61) H 0.6554 0.4642 0.1916 0.041 Uiso 1.00 1 c R . . H(62) H 0.7777 0.4156 0.2696 0.060 Uiso 1.00 1 c R . . H(63) H 0.6624 0.3636 0.3022 0.060 Uiso 1.00 1 c R . . H(64) H 0.6899 0.4735 0.3175 0.060 Uiso 1.00 1 c R . . H(65) H 0.4643 0.4403 0.2872 0.045 Uiso 1.00 1 c R . . H(66) H 0.4862 0.3872 0.2254 0.045 Uiso 1.00 1 c R . . H(67) H 0.4309 0.5021 0.2240 0.045 Uiso 1.00 1 c R . . H(68) H 0.5148 0.7994 0.0793 0.043 Uiso 1.00 1 c R . . H(69) H 0.7053 0.9157 0.0650 0.064 Uiso 1.00 1 c R . . H(70) H 0.6676 0.8529 0.0140 0.064 Uiso 1.00 1 c R . . H(71) H 0.7354 0.7952 0.0689 0.064 Uiso 1.00 1 c R . . H(72) H 0.4086 0.9300 0.1136 0.064 Uiso 1.00 1 c R . . H(73) H 0.5103 0.9937 0.0751 0.064 Uiso 1.00 1 c R . . H(74) H 0.5149 0.9601 0.1469 0.064 Uiso 1.00 1 c R . . H(75) H 0.4538 0.2931 0.1448 0.092 Uiso 1.00 1 c R . . H(76) H 0.5349 0.3766 0.1069 0.092 Uiso 1.00 1 c R . . H(77) H 0.2822 0.6721 0.3139 0.051 Uiso 1.00 1 c R . . H(78) H 0.3995 0.6962 0.2699 0.051 Uiso 1.00 1 c R . .