# Supplementary Material (ESI) for ChemComm # This journal is © The Royal Society of Chemistry 2000 # CCDC Number: 182/1630 data_Compound1 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C9 H17 Ag B11 I Mo O3' _chemical_formula_weight 622.85 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' 'B' 'B' 0.0013 0.0007 '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' 'Mo' 'Mo' -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ag' 'Ag' -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'I' 'I' -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z' 'x, -y+1/2, -z+1/2' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, y, -z' '-x, y-1/2, z-1/2' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 13.8843(4) _cell_length_b 15.7193(4) _cell_length_c 18.1490(6) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 3961.0(2) _cell_formula_units_Z 8 _cell_measurement_temperature 120(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour Red _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.08 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.089 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2336 _exptl_absorpt_coefficient_mu 3.186 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min 0.5683 _exptl_absorpt_correction_T_max 0.7847 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 120(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 ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 7282 _diffrn_reflns_av_R_equivalents 0.0476 _diffrn_reflns_av_sigmaI/netI 0.0563 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 3.61 _diffrn_reflns_theta_max 26.00 _reflns_number_total 3870 _reflns_number_gt 3193 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+59.8144P] 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 mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00059(8) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 3870 _refine_ls_number_parameters 236 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0725 _refine_ls_R_factor_gt 0.0563 _refine_ls_wR_factor_ref 0.1145 _refine_ls_wR_factor_gt 0.1101 _refine_ls_goodness_of_fit_ref 1.229 _refine_ls_restrained_S_all 1.229 _refine_ls_shift/su_max 0.000 _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_symetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Mo1 Mo 0.19638(5) 0.21547(4) 0.50354(4) 0.01421(19) Uani 1 1 d . . . I1 I 0.29701(4) 0.22339(4) 0.36621(3) 0.02088(18) Uani 1 1 d . . . Ag1 Ag 0.23195(6) 0.14787(5) 0.22440(4) 0.0354(2) Uani 1 1 d . . . O1 O 0.3509(5) 0.0694(5) 0.5188(4) 0.045(2) Uani 1 1 d . . . O2 O 0.2679(5) 0.4062(4) 0.4989(4) 0.0412(18) Uani 1 1 d . . . O3 O 0.2673(6) 0.2413(6) 0.6652(4) 0.055(2) Uani 1 1 d . . . C1 C -0.1161(6) 0.0421(8) 0.2036(7) 0.052(4) Uani 1 1 d . . . H1 H -0.1910 0.0683 0.2002 0.063 Uiso 1 1 calc R . . C2 C 0.2969(7) 0.1252(6) 0.5127(5) 0.030(2) Uani 1 1 d . . . C3 C 0.2465(7) 0.3365(6) 0.5003(5) 0.0243(19) Uani 1 1 d . . . C4 C 0.2438(7) 0.2316(7) 0.6067(5) 0.031(2) Uani 1 1 d . . . C11 C 0.0531(6) 0.2058(6) 0.4344(5) 0.026(2) Uani 1 1 d . . . H11C H 0.0501 0.2201 0.3836 0.031 Uiso 1 1 calc R . . C12 C 0.0354(6) 0.2605(6) 0.4919(6) 0.032(2) Uani 1 1 d . . . H12C H 0.0182 0.3187 0.4875 0.038 Uiso 1 1 calc R . . C13 C 0.0473(6) 0.2153(7) 0.5587(5) 0.031(2) Uani 1 1 d . . . H13C H 0.0398 0.2378 0.6069 0.037 Uiso 1 1 calc R . . C14 C 0.0726(6) 0.1298(6) 0.5403(5) 0.026(2) Uani 1 1 d . . . H14C H 0.0844 0.0849 0.5742 0.032 Uiso 1 1 calc R . . C15 C 0.0767(6) 0.1241(6) 0.4632(5) 0.025(2) Uani 1 1 d . . . H15C H 0.0924 0.0748 0.4354 0.030 Uiso 1 1 calc R . . B2 B -0.0256(9) 0.1121(9) 0.1962(11) 0.068(6) Uani 1 1 d . . . H2 H -0.0361 0.1819 0.1873 0.081 Uiso 1 1 calc R . . B3 B -0.0549(8) 0.0624(7) 0.2818(8) 0.042(4) Uani 1 1 d . . . H3 H -0.0833 0.0985 0.3304 0.050 Uiso 1 1 calc R . . B4 B -0.0957(7) -0.0415(7) 0.2598(6) 0.023(2) Uani 1 1 d . . . H4 H -0.1530 -0.0731 0.2934 0.028 Uiso 1 1 calc R . . B5 B -0.0902(9) -0.0567(12) 0.1648(7) 0.057(5) Uani 1 1 d . . . H5 H -0.1431 -0.0983 0.1353 0.069 Uiso 1 1 calc R . . B6 B -0.0474(10) 0.0376(13) 0.1255(8) 0.067(6) Uani 1 1 d . . . H6 H -0.0723 0.0576 0.0695 0.080 Uiso 1 1 calc R . . B7 B 0.0655(8) 0.0703(7) 0.2516(7) 0.029(2) Uani 1 1 d . . . H7 H 0.1180 0.1124 0.2809 0.035 Uiso 1 1 calc R . . B8 B 0.0229(8) -0.0259(8) 0.2908(6) 0.032(3) Uani 1 1 d . . . H8 H 0.0475 -0.0482 0.3463 0.038 Uiso 1 1 calc R . . B9 B -0.0006(8) -0.0995(7) 0.2209(8) 0.035(3) Uani 1 1 d . . . H9 H 0.0074 -0.1697 0.2297 0.042 Uiso 1 1 calc R . . B10 B 0.0295(10) -0.0488(12) 0.1367(8) 0.061(5) Uani 1 1 d . . . H10 H 0.0578 -0.0859 0.0887 0.074 Uiso 1 1 calc R . . B11 B 0.0709(8) 0.0581(8) 0.1566(6) 0.034(3) Uani 1 1 d . . . H11 H 0.1260 0.0922 0.1226 0.041 Uiso 1 1 calc R . . B12 B 0.0999(7) -0.0291(7) 0.2145(6) 0.027(2) Uani 1 1 d . . . H12 H 0.1755 -0.0533 0.2183 0.032 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 Mo1 0.0134(3) 0.0146(3) 0.0147(3) -0.0003(3) 0.0005(3) 0.0005(3) I1 0.0172(3) 0.0274(3) 0.0180(3) -0.0012(2) 0.0038(2) 0.0008(2) Ag1 0.0321(4) 0.0320(4) 0.0420(4) 0.0069(4) 0.0028(3) -0.0042(3) O1 0.033(4) 0.035(4) 0.065(5) 0.016(4) -0.001(4) 0.017(4) O2 0.041(4) 0.022(4) 0.060(5) -0.010(4) 0.000(4) -0.007(3) O3 0.049(5) 0.097(7) 0.020(4) -0.002(4) -0.015(3) -0.009(5) C1 0.005(4) 0.058(8) 0.093(10) 0.053(7) 0.003(5) 0.002(5) C2 0.019(5) 0.040(6) 0.032(5) 0.015(5) -0.003(4) -0.007(4) C3 0.025(5) 0.025(5) 0.023(4) -0.008(4) 0.000(4) -0.004(4) C4 0.024(5) 0.043(6) 0.027(5) -0.002(5) 0.004(4) 0.010(4) C11 0.013(4) 0.039(6) 0.024(5) 0.004(4) -0.002(3) -0.002(4) C12 0.015(4) 0.031(5) 0.049(6) -0.006(5) -0.001(4) 0.003(4) C13 0.016(4) 0.048(6) 0.029(5) -0.013(5) 0.006(4) -0.005(4) C14 0.012(4) 0.030(5) 0.038(5) 0.018(5) 0.002(4) -0.010(4) C15 0.018(5) 0.026(5) 0.031(5) -0.003(4) -0.001(4) 0.002(4) B2 0.024(6) 0.033(7) 0.146(17) 0.046(10) 0.031(8) 0.004(6) B3 0.023(6) 0.025(6) 0.078(9) -0.024(7) 0.037(6) -0.017(5) B4 0.013(4) 0.021(5) 0.035(6) 0.008(5) 0.002(4) -0.008(4) B5 0.025(6) 0.118(14) 0.029(6) -0.001(8) -0.002(5) -0.034(8) B6 0.029(7) 0.121(16) 0.050(9) 0.047(10) -0.021(6) -0.025(8) B7 0.026(5) 0.022(5) 0.039(6) -0.012(5) 0.012(5) -0.016(5) B8 0.026(6) 0.042(7) 0.028(6) 0.016(5) -0.001(5) -0.007(5) B9 0.023(5) 0.015(5) 0.068(8) -0.010(6) 0.014(6) 0.002(4) B10 0.040(7) 0.108(13) 0.036(7) -0.051(9) 0.018(6) -0.029(8) B11 0.021(6) 0.045(7) 0.035(6) 0.019(6) 0.008(5) -0.003(5) B12 0.013(5) 0.028(6) 0.039(6) -0.007(5) 0.002(4) 0.001(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Mo1 C2 1.997(10) . ? Mo1 C4 2.000(10) . ? Mo1 C3 2.027(9) . ? Mo1 C14 2.284(8) . ? Mo1 C13 2.300(9) . ? Mo1 C15 2.315(9) . ? Mo1 C12 2.353(9) . ? Mo1 C11 2.357(8) . ? Mo1 I1 2.8599(8) . ? I1 Ag1 2.7599(9) 3 ? I1 Ag1 2.9748(10) . ? Ag1 B7 2.659(10) . ? Ag1 I1 2.7599(9) 3 ? Ag1 Ag1 3.3426(16) 3 ? O1 C2 1.159(12) . ? O2 C3 1.134(11) . ? O3 C4 1.122(11) . ? C1 B2 1.675(16) . ? C1 B3 1.684(19) . ? C1 B4 1.686(14) . ? C1 B6 1.71(2) . ? C1 B5 1.74(2) . ? C11 C12 1.374(13) . ? C11 C15 1.425(13) . ? C12 C13 1.415(14) . ? C13 C14 1.429(14) . ? C14 C15 1.404(13) . ? B2 B11 1.741(18) . ? B2 B7 1.74(2) . ? B2 B6 1.76(3) . ? B2 B3 1.79(2) . ? B3 B7 1.764(14) . ? B3 B8 1.767(18) . ? B3 B4 1.774(15) . ? B4 B5 1.742(17) . ? B4 B9 1.754(14) . ? B4 B8 1.758(15) . ? B5 B10 1.742(17) . ? B5 B9 1.742(19) . ? B5 B6 1.75(2) . ? B6 B10 1.74(3) . ? B6 B11 1.766(17) . ? B7 B11 1.735(17) . ? B7 B12 1.766(15) . ? B7 B8 1.773(15) . ? B8 B9 1.748(17) . ? B8 B12 1.750(16) . ? B9 B10 1.77(2) . ? B9 B12 1.784(14) . ? B10 B12 1.744(17) . ? B10 B11 1.81(2) . ? B11 B12 1.772(16) . ? 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 C2 Mo1 C4 77.4(4) . . ? C2 Mo1 C3 115.4(4) . . ? C4 Mo1 C3 78.2(4) . . ? C2 Mo1 C14 94.7(4) . . ? C4 Mo1 C14 92.8(4) . . ? C3 Mo1 C14 145.1(4) . . ? C2 Mo1 C13 126.3(4) . . ? C4 Mo1 C13 83.6(4) . . ? C3 Mo1 C13 108.8(4) . . ? C14 Mo1 C13 36.3(4) . . ? C2 Mo1 C15 95.0(4) . . ? C4 Mo1 C15 127.6(4) . . ? C3 Mo1 C15 145.0(3) . . ? C14 Mo1 C15 35.5(3) . . ? C13 Mo1 C15 59.4(3) . . ? C2 Mo1 C12 152.2(4) . . ? C4 Mo1 C12 111.0(4) . . ? C3 Mo1 C12 92.3(4) . . ? C14 Mo1 C12 59.3(3) . . ? C13 Mo1 C12 35.4(3) . . ? C15 Mo1 C12 58.4(3) . . ? C2 Mo1 C11 126.0(4) . . ? C4 Mo1 C11 141.7(3) . . ? C3 Mo1 C11 109.5(4) . . ? C14 Mo1 C11 58.8(3) . . ? C13 Mo1 C11 58.1(3) . . ? C15 Mo1 C11 35.5(3) . . ? C12 Mo1 C11 33.9(3) . . ? C2 Mo1 I1 76.2(3) . . ? C4 Mo1 I1 130.5(3) . . ? C3 Mo1 I1 76.5(2) . . ? C14 Mo1 I1 130.4(3) . . ? C13 Mo1 I1 145.0(2) . . ? C15 Mo1 I1 95.9(2) . . ? C12 Mo1 I1 111.9(3) . . ? C11 Mo1 I1 87.2(2) . . ? Ag1 I1 Mo1 113.04(3) 3 . ? Ag1 I1 Ag1 71.19(3) 3 . ? Mo1 I1 Ag1 126.03(3) . . ? B7 Ag1 I1 137.0(3) . 3 ? B7 Ag1 I1 106.6(2) . . ? I1 Ag1 I1 97.10(3) 3 . ? B7 Ag1 Ag1 112.9(2) . 3 ? I1 Ag1 Ag1 57.40(2) 3 3 ? I1 Ag1 Ag1 51.41(2) . 3 ? B2 C1 B3 64.2(9) . . ? B2 C1 B4 115.8(9) . . ? B3 C1 B4 63.5(7) . . ? B2 C1 B6 62.7(9) . . ? B3 C1 B6 115.1(8) . . ? B4 C1 B6 112.0(10) . . ? B2 C1 B5 113.4(9) . . ? B3 C1 B5 113.9(8) . . ? B4 C1 B5 61.0(7) . . ? B6 C1 B5 60.9(9) . . ? O1 C2 Mo1 175.9(8) . . ? O2 C3 Mo1 175.1(8) . . ? O3 C4 Mo1 177.6(9) . . ? C12 C11 C15 109.0(8) . . ? C12 C11 Mo1 72.9(5) . . ? C15 C11 Mo1 70.6(5) . . ? C11 C12 C13 108.5(8) . . ? C11 C12 Mo1 73.2(5) . . ? C13 C12 Mo1 70.2(5) . . ? C12 C13 C14 107.5(8) . . ? C12 C13 Mo1 74.4(5) . . ? C14 C13 Mo1 71.2(5) . . ? C15 C14 C13 107.6(9) . . ? C15 C14 Mo1 73.4(5) . . ? C13 C14 Mo1 72.4(5) . . ? C14 C15 C11 107.4(9) . . ? C14 C15 Mo1 71.0(5) . . ? C11 C15 Mo1 73.9(5) . . ? C1 B2 B11 106.9(11) . . ? C1 B2 B7 104.5(9) . . ? B11 B2 B7 59.7(7) . . ? C1 B2 B6 59.6(9) . . ? B11 B2 B6 60.5(9) . . ? B7 B2 B6 107.1(10) . . ? C1 B2 B3 58.1(7) . . ? B11 B2 B3 108.7(9) . . ? B7 B2 B3 60.0(8) . . ? B6 B2 B3 107.7(9) . . ? C1 B3 B7 103.3(8) . . ? C1 B3 B8 103.7(8) . . ? B7 B3 B8 60.3(6) . . ? C1 B3 B4 58.3(6) . . ? B7 B3 B4 107.3(7) . . ? B8 B3 B4 59.5(6) . . ? C1 B3 B2 57.7(8) . . ? B7 B3 B2 58.9(7) . . ? B8 B3 B2 106.6(8) . . ? B4 B3 B2 106.2(10) . . ? C1 B4 B5 61.1(8) . . ? C1 B4 B9 106.8(8) . . ? B5 B4 B9 59.8(8) . . ? C1 B4 B8 104.0(7) . . ? B5 B4 B8 107.1(8) . . ? B9 B4 B8 59.7(6) . . ? C1 B4 B3 58.2(8) . . ? B5 B4 B3 109.6(9) . . ? B9 B4 B3 109.2(7) . . ? B8 B4 B3 60.0(7) . . ? B4 B5 B10 108.8(9) . . ? B4 B5 B9 60.5(7) . . ? B10 B5 B9 61.2(8) . . ? B4 B5 C1 57.9(7) . . ? B10 B5 C1 104.6(10) . . ? B9 B5 C1 104.8(9) . . ? B4 B5 B6 107.5(11) . . ? B10 B5 B6 59.8(9) . . ? B9 B5 B6 108.8(9) . . ? C1 B5 B6 58.6(9) . . ? C1 B6 B10 106.1(10) . . ? C1 B6 B5 60.5(8) . . ? B10 B6 B5 59.9(9) . . ? C1 B6 B2 57.7(8) . . ? B10 B6 B2 109.2(9) . . ? B5 B6 B2 108.9(10) . . ? C1 B6 B11 104.3(9) . . ? B10 B6 B11 62.3(8) . . ? B5 B6 B11 109.9(10) . . ? B2 B6 B11 59.1(8) . . ? B11 B7 B2 60.0(8) . . ? B11 B7 B3 110.0(9) . . ? B2 B7 B3 61.2(8) . . ? B11 B7 B12 60.8(6) . . ? B2 B7 B12 108.0(9) . . ? B3 B7 B12 108.2(7) . . ? B11 B7 B8 108.6(8) . . ? B2 B7 B8 108.1(8) . . ? B3 B7 B8 59.9(7) . . ? B12 B7 B8 59.3(6) . . ? B11 B7 Ag1 80.2(5) . . ? B2 B7 Ag1 110.5(7) . . ? B3 B7 Ag1 156.0(7) . . ? B12 B7 Ag1 95.8(5) . . ? B8 B7 Ag1 139.1(7) . . ? B9 B8 B12 61.3(6) . . ? B9 B8 B4 60.0(6) . . ? B12 B8 B4 108.3(8) . . ? B9 B8 B3 109.8(8) . . ? B12 B8 B3 108.8(8) . . ? B4 B8 B3 60.4(6) . . ? B9 B8 B7 109.6(8) . . ? B12 B8 B7 60.2(6) . . ? B4 B8 B7 107.6(8) . . ? B3 B8 B7 59.8(6) . . ? B5 B9 B8 107.6(9) . . ? B5 B9 B4 59.8(7) . . ? B8 B9 B4 60.3(6) . . ? B5 B9 B10 59.4(8) . . ? B8 B9 B10 106.5(8) . . ? B4 B9 B10 106.9(9) . . ? B5 B9 B12 106.3(9) . . ? B8 B9 B12 59.4(6) . . ? B4 B9 B12 107.0(7) . . ? B10 B9 B12 58.7(7) . . ? B6 B10 B5 60.3(9) . . ? B6 B10 B12 107.4(10) . . ? B5 B10 B12 108.1(9) . . ? B6 B10 B9 107.9(9) . . ? B5 B10 B9 59.4(7) . . ? B12 B10 B9 61.0(7) . . ? B6 B10 B11 59.6(8) . . ? B5 B10 B11 108.1(11) . . ? B12 B10 B11 59.7(7) . . ? B9 B10 B11 108.6(8) . . ? B7 B11 B2 60.2(8) . . ? B7 B11 B6 107.3(9) . . ? B2 B11 B6 60.3(10) . . ? B7 B11 B12 60.5(6) . . ? B2 B11 B12 107.9(8) . . ? B6 B11 B12 105.0(9) . . ? B7 B11 B10 106.7(8) . . ? B2 B11 B10 106.8(9) . . ? B6 B11 B10 58.1(9) . . ? B12 B11 B10 58.2(7) . . ? B10 B12 B8 107.7(8) . . ? B10 B12 B7 108.4(9) . . ? B8 B12 B7 60.6(6) . . ? B10 B12 B11 62.1(8) . . ? B8 B12 B11 108.0(8) . . ? B7 B12 B11 58.7(7) . . ? B10 B12 B9 60.3(8) . . ? B8 B12 B9 59.3(6) . . ? B7 B12 B9 108.2(7) . . ? B11 B12 B9 109.9(8) . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C2 Mo1 I1 Ag1 -176.8(3) . . . 3 ? C4 Mo1 I1 Ag1 -117.1(4) . . . 3 ? C3 Mo1 I1 Ag1 -55.9(3) . . . 3 ? C14 Mo1 I1 Ag1 98.8(3) . . . 3 ? C13 Mo1 I1 Ag1 47.7(5) . . . 3 ? C15 Mo1 I1 Ag1 89.5(2) . . . 3 ? C12 Mo1 I1 Ag1 31.2(3) . . . 3 ? C11 Mo1 I1 Ag1 55.0(2) . . . 3 ? C2 Mo1 I1 Ag1 100.3(3) . . . . ? C4 Mo1 I1 Ag1 160.0(4) . . . . ? C3 Mo1 I1 Ag1 -138.7(3) . . . . ? C14 Mo1 I1 Ag1 15.9(3) . . . . ? C13 Mo1 I1 Ag1 -35.2(5) . . . . ? C15 Mo1 I1 Ag1 6.6(2) . . . . ? C12 Mo1 I1 Ag1 -51.7(3) . . . . ? C11 Mo1 I1 Ag1 -27.9(2) . . . . ? Ag1 I1 Ag1 B7 -106.3(3) 3 . . . ? Mo1 I1 Ag1 B7 -1.0(3) . . . . ? Ag1 I1 Ag1 I1 37.44(4) 3 . . 3 ? Mo1 I1 Ag1 I1 142.71(3) . . . 3 ? Mo1 I1 Ag1 Ag1 105.28(4) . . . 3 ? C4 Mo1 C2 O1 100(12) . . . . ? C3 Mo1 C2 O1 170(12) . . . . ? C14 Mo1 C2 O1 8(12) . . . . ? C13 Mo1 C2 O1 27(13) . . . . ? C15 Mo1 C2 O1 -28(12) . . . . ? C12 Mo1 C2 O1 -12(13) . . . . ? C11 Mo1 C2 O1 -47(13) . . . . ? I1 Mo1 C2 O1 -123(12) . . . . ? C2 Mo1 C3 O2 -170(10) . . . . ? C4 Mo1 C3 O2 -100(10) . . . . ? C14 Mo1 C3 O2 -23(10) . . . . ? C13 Mo1 C3 O2 -21(10) . . . . ? C15 Mo1 C3 O2 42(10) . . . . ? C12 Mo1 C3 O2 11(10) . . . . ? C11 Mo1 C3 O2 40(10) . . . . ? I1 Mo1 C3 O2 122(10) . . . . ? C2 Mo1 C4 O3 -144(25) . . . . ? C3 Mo1 C4 O3 96(24) . . . . ? C14 Mo1 C4 O3 -50(24) . . . . ? C13 Mo1 C4 O3 -14(24) . . . . ? C15 Mo1 C4 O3 -57(25) . . . . ? C12 Mo1 C4 O3 8(25) . . . . ? C11 Mo1 C4 O3 -10(25) . . . . ? I1 Mo1 C4 O3 157(24) . . . . ? C2 Mo1 C11 C12 151.5(6) . . . . ? C4 Mo1 C11 C12 32.4(9) . . . . ? C3 Mo1 C11 C12 -63.2(6) . . . . ? C14 Mo1 C11 C12 80.2(6) . . . . ? C13 Mo1 C11 C12 37.3(6) . . . . ? C15 Mo1 C11 C12 118.0(8) . . . . ? I1 Mo1 C11 C12 -137.8(6) . . . . ? C2 Mo1 C11 C15 33.5(7) . . . . ? C4 Mo1 C11 C15 -85.6(8) . . . . ? C3 Mo1 C11 C15 178.7(5) . . . . ? C14 Mo1 C11 C15 -37.8(5) . . . . ? C13 Mo1 C11 C15 -80.8(6) . . . . ? C12 Mo1 C11 C15 -118.0(8) . . . . ? I1 Mo1 C11 C15 104.2(5) . . . . ? C15 C11 C12 C13 0.0(10) . . . . ? Mo1 C11 C12 C13 -61.8(6) . . . . ? C15 C11 C12 Mo1 61.8(6) . . . . ? C2 Mo1 C12 C11 -55.9(11) . . . . ? C4 Mo1 C12 C11 -159.1(6) . . . . ? C3 Mo1 C12 C11 122.6(6) . . . . ? C14 Mo1 C12 C11 -78.8(6) . . . . ? C13 Mo1 C12 C11 -117.4(8) . . . . ? C15 Mo1 C12 C11 -37.0(6) . . . . ? I1 Mo1 C12 C11 46.3(6) . . . . ? C2 Mo1 C12 C13 61.4(10) . . . . ? C4 Mo1 C12 C13 -41.7(7) . . . . ? C3 Mo1 C12 C13 -120.0(6) . . . . ? C14 Mo1 C12 C13 38.6(6) . . . . ? C15 Mo1 C12 C13 80.4(6) . . . . ? C11 Mo1 C12 C13 117.4(8) . . . . ? I1 Mo1 C12 C13 163.7(5) . . . . ? C11 C12 C13 C14 -0.3(10) . . . . ? Mo1 C12 C13 C14 -64.0(6) . . . . ? C11 C12 C13 Mo1 63.6(6) . . . . ? C2 Mo1 C13 C12 -149.5(6) . . . . ? C4 Mo1 C13 C12 141.3(6) . . . . ? C3 Mo1 C13 C12 66.1(6) . . . . ? C14 Mo1 C13 C12 -115.1(8) . . . . ? C15 Mo1 C13 C12 -77.5(6) . . . . ? C11 Mo1 C13 C12 -35.7(5) . . . . ? I1 Mo1 C13 C12 -27.1(8) . . . . ? C2 Mo1 C13 C14 -34.3(7) . . . . ? C4 Mo1 C13 C14 -103.6(6) . . . . ? C3 Mo1 C13 C14 -178.8(5) . . . . ? C15 Mo1 C13 C14 37.7(5) . . . . ? C12 Mo1 C13 C14 115.1(8) . . . . ? C11 Mo1 C13 C14 79.4(6) . . . . ? I1 Mo1 C13 C14 88.0(7) . . . . ? C12 C13 C14 C15 0.6(10) . . . . ? Mo1 C13 C14 C15 -65.5(6) . . . . ? C12 C13 C14 Mo1 66.1(6) . . . . ? C2 Mo1 C14 C15 -92.0(6) . . . . ? C4 Mo1 C14 C15 -169.5(6) . . . . ? C3 Mo1 C14 C15 117.2(7) . . . . ? C13 Mo1 C14 C15 115.2(8) . . . . ? C12 Mo1 C14 C15 77.6(6) . . . . ? C11 Mo1 C14 C15 37.8(5) . . . . ? I1 Mo1 C14 C15 -16.0(7) . . . . ? C2 Mo1 C14 C13 152.9(6) . . . . ? C4 Mo1 C14 C13 75.3(6) . . . . ? C3 Mo1 C14 C13 2.0(9) . . . . ? C15 Mo1 C14 C13 -115.2(8) . . . . ? C12 Mo1 C14 C13 -37.6(5) . . . . ? C11 Mo1 C14 C13 -77.3(6) . . . . ? I1 Mo1 C14 C13 -131.2(5) . . . . ? C13 C14 C15 C11 -0.6(10) . . . . ? Mo1 C14 C15 C11 -65.4(6) . . . . ? C13 C14 C15 Mo1 64.9(6) . . . . ? C12 C11 C15 C14 0.4(10) . . . . ? Mo1 C11 C15 C14 63.5(6) . . . . ? C12 C11 C15 Mo1 -63.2(6) . . . . ? C2 Mo1 C15 C14 91.2(6) . . . . ? C4 Mo1 C15 C14 13.2(8) . . . . ? C3 Mo1 C15 C14 -117.5(7) . . . . ? C13 Mo1 C15 C14 -38.5(6) . . . . ? C12 Mo1 C15 C14 -80.1(6) . . . . ? C11 Mo1 C15 C14 -115.4(8) . . . . ? I1 Mo1 C15 C14 167.8(5) . . . . ? C2 Mo1 C15 C11 -153.4(6) . . . . ? C4 Mo1 C15 C11 128.7(6) . . . . ? C3 Mo1 C15 C11 -2.1(9) . . . . ? C14 Mo1 C15 C11 115.4(8) . . . . ? C13 Mo1 C15 C11 76.9(6) . . . . ? C12 Mo1 C15 C11 35.3(5) . . . . ? I1 Mo1 C15 C11 -76.8(5) . . . . ? B3 C1 B2 B11 101.9(11) . . . . ? B4 C1 B2 B11 63.4(15) . . . . ? B6 C1 B2 B11 -39.3(10) . . . . ? B5 C1 B2 B11 -4.4(15) . . . . ? B3 C1 B2 B7 39.7(9) . . . . ? B4 C1 B2 B7 1.2(15) . . . . ? B6 C1 B2 B7 -101.5(11) . . . . ? B5 C1 B2 B7 -66.7(14) . . . . ? B3 C1 B2 B6 141.2(9) . . . . ? B4 C1 B2 B6 102.7(12) . . . . ? B5 C1 B2 B6 34.9(10) . . . . ? B4 C1 B2 B3 -38.5(10) . . . . ? B6 C1 B2 B3 -141.2(9) . . . . ? B5 C1 B2 B3 -106.3(10) . . . . ? B2 C1 B3 B7 -38.9(8) . . . . ? B4 C1 B3 B7 102.3(8) . . . . ? B6 C1 B3 B7 -1.0(13) . . . . ? B5 C1 B3 B7 66.7(10) . . . . ? B2 C1 B3 B8 -101.1(8) . . . . ? B4 C1 B3 B8 40.1(7) . . . . ? B6 C1 B3 B8 -63.1(12) . . . . ? B5 C1 B3 B8 4.5(10) . . . . ? B2 C1 B3 B4 -141.2(9) . . . . ? B6 C1 B3 B4 -103.3(11) . . . . ? B5 C1 B3 B4 -35.6(8) . . . . ? B4 C1 B3 B2 141.2(9) . . . . ? B6 C1 B3 B2 37.9(10) . . . . ? B5 C1 B3 B2 105.6(10) . . . . ? B11 B2 B3 C1 -98.7(12) . . . . ? B7 B2 B3 C1 -134.4(9) . . . . ? B6 B2 B3 C1 -34.6(9) . . . . ? C1 B2 B3 B7 134.4(9) . . . . ? B11 B2 B3 B7 35.8(9) . . . . ? B6 B2 B3 B7 99.9(10) . . . . ? C1 B2 B3 B8 96.0(9) . . . . ? B11 B2 B3 B8 -2.6(13) . . . . ? B7 B2 B3 B8 -38.4(9) . . . . ? B6 B2 B3 B8 61.5(11) . . . . ? C1 B2 B3 B4 33.7(8) . . . . ? B11 B2 B3 B4 -65.0(12) . . . . ? B7 B2 B3 B4 -100.7(9) . . . . ? B6 B2 B3 B4 -0.9(11) . . . . ? B2 C1 B4 B5 -103.7(12) . . . . ? B3 C1 B4 B5 -142.5(8) . . . . ? B6 C1 B4 B5 -34.4(9) . . . . ? B2 C1 B4 B9 -63.8(13) . . . . ? B3 C1 B4 B9 -102.5(8) . . . . ? B6 C1 B4 B9 5.5(12) . . . . ? B5 C1 B4 B9 40.0(8) . . . . ? B2 C1 B4 B8 -1.7(14) . . . . ? B3 C1 B4 B8 -40.4(7) . . . . ? B6 C1 B4 B8 67.6(11) . . . . ? B5 C1 B4 B8 102.1(8) . . . . ? B2 C1 B4 B3 38.8(11) . . . . ? B6 C1 B4 B3 108.1(9) . . . . ? B5 C1 B4 B3 142.5(8) . . . . ? B7 B3 B4 C1 -95.2(10) . . . . ? B8 B3 B4 C1 -133.4(8) . . . . ? B2 B3 B4 C1 -33.4(8) . . . . ? C1 B3 B4 B5 34.5(8) . . . . ? B7 B3 B4 B5 -60.7(12) . . . . ? B8 B3 B4 B5 -98.9(9) . . . . ? B2 B3 B4 B5 1.0(11) . . . . ? C1 B3 B4 B9 98.2(9) . . . . ? B7 B3 B4 B9 3.1(12) . . . . ? B8 B3 B4 B9 -35.2(8) . . . . ? B2 B3 B4 B9 64.8(11) . . . . ? C1 B3 B4 B8 133.4(8) . . . . ? B7 B3 B4 B8 38.2(8) . . . . ? B2 B3 B4 B8 100.0(8) . . . . ? C1 B4 B5 B10 95.7(12) . . . . ? B9 B4 B5 B10 -38.9(11) . . . . ? B8 B4 B5 B10 -1.1(15) . . . . ? B3 B4 B5 B10 62.4(14) . . . . ? C1 B4 B5 B9 134.6(8) . . . . ? B8 B4 B5 B9 37.7(8) . . . . ? B3 B4 B5 B9 101.3(9) . . . . ? B9 B4 B5 C1 -134.6(8) . . . . ? B8 B4 B5 C1 -96.9(8) . . . . ? B3 B4 B5 C1 -33.3(7) . . . . ? C1 B4 B5 B6 32.5(9) . . . . ? B9 B4 B5 B6 -102.1(9) . . . . ? B8 B4 B5 B6 -64.4(12) . . . . ? B3 B4 B5 B6 -0.8(12) . . . . ? B2 C1 B5 B4 107.5(11) . . . . ? B3 C1 B5 B4 36.6(8) . . . . ? B6 C1 B5 B4 143.1(8) . . . . ? B2 C1 B5 B10 4.2(14) . . . . ? B3 C1 B5 B10 -66.7(11) . . . . ? B4 C1 B5 B10 -103.3(10) . . . . ? B6 C1 B5 B10 39.8(9) . . . . ? B2 C1 B5 B9 67.7(12) . . . . ? B3 C1 B5 B9 -3.2(11) . . . . ? B4 C1 B5 B9 -39.8(7) . . . . ? B6 C1 B5 B9 103.3(9) . . . . ? B2 C1 B5 B6 -35.6(10) . . . . ? B3 C1 B5 B6 -106.5(9) . . . . ? B4 C1 B5 B6 -143.1(8) . . . . ? B2 C1 B6 B10 102.8(10) . . . . ? B3 C1 B6 B10 64.3(13) . . . . ? B4 C1 B6 B10 -5.7(13) . . . . ? B5 C1 B6 B10 -40.2(9) . . . . ? B2 C1 B6 B5 143.1(10) . . . . ? B3 C1 B6 B5 104.6(10) . . . . ? B4 C1 B6 B5 34.5(9) . . . . ? B3 C1 B6 B2 -38.5(10) . . . . ? B4 C1 B6 B2 -108.6(10) . . . . ? B5 C1 B6 B2 -143.1(10) . . . . ? B2 C1 B6 B11 38.1(9) . . . . ? B3 C1 B6 B11 -0.5(15) . . . . ? B4 C1 B6 B11 -70.5(13) . . . . ? B5 C1 B6 B11 -105.0(11) . . . . ? B4 B5 B6 C1 -32.2(8) . . . . ? B10 B5 B6 C1 -134.2(9) . . . . ? B9 B5 B6 C1 -96.2(10) . . . . ? B4 B5 B6 B10 102.0(10) . . . . ? B9 B5 B6 B10 38.0(10) . . . . ? C1 B5 B6 B10 134.2(9) . . . . ? B4 B5 B6 B2 0.2(13) . . . . ? B10 B5 B6 B2 -101.7(10) . . . . ? B9 B5 B6 B2 -63.8(13) . . . . ? C1 B5 B6 B2 32.4(9) . . . . ? B4 B5 B6 B11 63.3(14) . . . . ? B10 B5 B6 B11 -38.6(10) . . . . ? B9 B5 B6 B11 -0.7(15) . . . . ? C1 B5 B6 B11 95.5(12) . . . . ? B11 B2 B6 C1 135.9(10) . . . . ? B7 B2 B6 C1 97.1(9) . . . . ? B3 B2 B6 C1 33.9(8) . . . . ? C1 B2 B6 B10 -97.3(10) . . . . ? B11 B2 B6 B10 38.6(9) . . . . ? B7 B2 B6 B10 -0.2(12) . . . . ? B3 B2 B6 B10 -63.4(12) . . . . ? C1 B2 B6 B5 -33.6(9) . . . . ? B11 B2 B6 B5 102.3(11) . . . . ? B7 B2 B6 B5 63.5(12) . . . . ? B3 B2 B6 B5 0.4(13) . . . . ? C1 B2 B6 B11 -135.9(10) . . . . ? B7 B2 B6 B11 -38.8(8) . . . . ? B3 B2 B6 B11 -101.9(10) . . . . ? C1 B2 B7 B11 101.3(12) . . . . ? B6 B2 B7 B11 39.2(9) . . . . ? B3 B2 B7 B11 140.1(9) . . . . ? C1 B2 B7 B3 -38.8(9) . . . . ? B11 B2 B7 B3 -140.1(9) . . . . ? B6 B2 B7 B3 -100.9(9) . . . . ? C1 B2 B7 B12 62.5(12) . . . . ? B11 B2 B7 B12 -38.8(8) . . . . ? B6 B2 B7 B12 0.4(11) . . . . ? B3 B2 B7 B12 101.3(9) . . . . ? C1 B2 B7 B8 -0.2(14) . . . . ? B11 B2 B7 B8 -101.5(9) . . . . ? B6 B2 B7 B8 -62.3(11) . . . . ? B3 B2 B7 B8 38.6(9) . . . . ? C1 B2 B7 Ag1 166.1(8) . . . . ? B11 B2 B7 Ag1 64.7(7) . . . . ? B6 B2 B7 Ag1 103.9(8) . . . . ? B3 B2 B7 Ag1 -155.1(7) . . . . ? C1 B3 B7 B11 2.1(11) . . . . ? B8 B3 B7 B11 100.5(9) . . . . ? B4 B3 B7 B11 62.6(11) . . . . ? B2 B3 B7 B11 -36.2(10) . . . . ? C1 B3 B7 B2 38.3(9) . . . . ? B8 B3 B7 B2 136.7(10) . . . . ? B4 B3 B7 B2 98.8(11) . . . . ? C1 B3 B7 B12 -62.7(10) . . . . ? B8 B3 B7 B12 35.7(8) . . . . ? B4 B3 B7 B12 -2.1(12) . . . . ? B2 B3 B7 B12 -101.0(10) . . . . ? C1 B3 B7 B8 -98.4(8) . . . . ? B4 B3 B7 B8 -37.9(8) . . . . ? B2 B3 B7 B8 -136.7(10) . . . . ? C1 B3 B7 Ag1 113.7(18) . . . . ? B8 B3 B7 Ag1 -148(2) . . . . ? B4 B3 B7 Ag1 174.2(16) . . . . ? B2 B3 B7 Ag1 75(2) . . . . ? I1 Ag1 B7 B11 53.5(7) 3 . . . ? I1 Ag1 B7 B11 174.1(5) . . . . ? Ag1 Ag1 B7 B11 119.6(5) 3 . . . ? I1 Ag1 B7 B2 0.8(10) 3 . . . ? I1 Ag1 B7 B2 121.4(8) . . . . ? Ag1 Ag1 B7 B2 66.9(9) 3 . . . ? I1 Ag1 B7 B3 -64(2) 3 . . . ? I1 Ag1 B7 B3 57(2) . . . . ? Ag1 Ag1 B7 B3 2(2) 3 . . . ? I1 Ag1 B7 B12 112.5(6) 3 . . . ? I1 Ag1 B7 B12 -126.9(5) . . . . ? Ag1 Ag1 B7 B12 178.6(5) 3 . . . ? I1 Ag1 B7 B8 160.6(8) 3 . . . ? I1 Ag1 B7 B8 -78.8(10) . . . . ? Ag1 Ag1 B7 B8 -133.3(9) 3 . . . ? C1 B4 B8 B9 -101.4(9) . . . . ? B5 B4 B8 B9 -37.8(10) . . . . ? B3 B4 B8 B9 -140.9(9) . . . . ? C1 B4 B8 B12 -62.1(10) . . . . ? B5 B4 B8 B12 1.5(12) . . . . ? B9 B4 B8 B12 39.3(8) . . . . ? B3 B4 B8 B12 -101.7(9) . . . . ? C1 B4 B8 B3 39.5(8) . . . . ? B5 B4 B8 B3 103.2(10) . . . . ? B9 B4 B8 B3 140.9(9) . . . . ? C1 B4 B8 B7 1.4(10) . . . . ? B5 B4 B8 B7 65.1(11) . . . . ? B9 B4 B8 B7 102.9(9) . . . . ? B3 B4 B8 B7 -38.1(8) . . . . ? C1 B3 B8 B9 -4.0(10) . . . . ? B7 B3 B8 B9 -101.7(8) . . . . ? B4 B3 B8 B9 35.5(8) . . . . ? B2 B3 B8 B9 -63.9(11) . . . . ? C1 B3 B8 B12 61.4(9) . . . . ? B7 B3 B8 B12 -36.3(8) . . . . ? B4 B3 B8 B12 100.9(9) . . . . ? B2 B3 B8 B12 1.5(12) . . . . ? C1 B3 B8 B4 -39.5(6) . . . . ? B7 B3 B8 B4 -137.1(8) . . . . ? B2 B3 B8 B4 -99.4(10) . . . . ? C1 B3 B8 B7 97.6(8) . . . . ? B4 B3 B8 B7 137.1(8) . . . . ? B2 B3 B8 B7 37.8(9) . . . . ? B11 B7 B8 B9 -0.7(11) . . . . ? B2 B7 B8 B9 62.9(11) . . . . ? B3 B7 B8 B9 102.1(9) . . . . ? B12 B7 B8 B9 -37.7(8) . . . . ? Ag1 B7 B8 B9 -97.2(11) . . . . ? B11 B7 B8 B12 37.0(7) . . . . ? B2 B7 B8 B12 100.6(10) . . . . ? B3 B7 B8 B12 139.8(9) . . . . ? Ag1 B7 B8 B12 -59.5(10) . . . . ? B11 B7 B8 B4 -64.4(10) . . . . ? B2 B7 B8 B4 -0.8(12) . . . . ? B3 B7 B8 B4 38.4(8) . . . . ? B12 B7 B8 B4 -101.4(9) . . . . ? Ag1 B7 B8 B4 -160.9(8) . . . . ? B11 B7 B8 B3 -102.8(10) . . . . ? B2 B7 B8 B3 -39.2(10) . . . . ? B12 B7 B8 B3 -139.8(9) . . . . ? Ag1 B7 B8 B3 160.7(11) . . . . ? B4 B5 B9 B8 -38.1(8) . . . . ? B10 B5 B9 B8 99.2(9) . . . . ? C1 B5 B9 B8 0.4(10) . . . . ? B6 B5 B9 B8 61.8(12) . . . . ? B10 B5 B9 B4 137.3(10) . . . . ? C1 B5 B9 B4 38.6(7) . . . . ? B6 B5 B9 B4 99.9(12) . . . . ? B4 B5 B9 B10 -137.3(10) . . . . ? C1 B5 B9 B10 -98.7(10) . . . . ? B6 B5 B9 B10 -37.3(10) . . . . ? B4 B5 B9 B12 -100.5(8) . . . . ? B10 B5 B9 B12 36.8(9) . . . . ? C1 B5 B9 B12 -61.9(10) . . . . ? B6 B5 B9 B12 -0.5(13) . . . . ? B12 B8 B9 B5 -98.9(9) . . . . ? B4 B8 B9 B5 37.9(7) . . . . ? B3 B8 B9 B5 2.3(11) . . . . ? B7 B8 B9 B5 -61.6(10) . . . . ? B12 B8 B9 B4 -136.8(8) . . . . ? B3 B8 B9 B4 -35.6(7) . . . . ? B7 B8 B9 B4 -99.5(8) . . . . ? B12 B8 B9 B10 -36.4(8) . . . . ? B4 B8 B9 B10 100.3(9) . . . . ? B3 B8 B9 B10 64.7(10) . . . . ? B7 B8 B9 B10 0.8(11) . . . . ? B4 B8 B9 B12 136.8(8) . . . . ? B3 B8 B9 B12 101.1(8) . . . . ? B7 B8 B9 B12 37.2(7) . . . . ? C1 B4 B9 B5 -40.6(9) . . . . ? B8 B4 B9 B5 -137.3(9) . . . . ? B3 B4 B9 B5 -102.0(10) . . . . ? C1 B4 B9 B8 96.7(8) . . . . ? B5 B4 B9 B8 137.3(9) . . . . ? B3 B4 B9 B8 35.3(9) . . . . ? C1 B4 B9 B10 -3.0(11) . . . . ? B5 B4 B9 B10 37.6(9) . . . . ? B8 B4 B9 B10 -99.7(8) . . . . ? B3 B4 B9 B10 -64.4(11) . . . . ? C1 B4 B9 B12 58.7(11) . . . . ? B5 B4 B9 B12 99.3(10) . . . . ? B8 B4 B9 B12 -38.1(8) . . . . ? B3 B4 B9 B12 -2.8(12) . . . . ? C1 B6 B10 B5 40.5(9) . . . . ? B2 B6 B10 B5 101.3(10) . . . . ? B11 B6 B10 B5 138.5(9) . . . . ? C1 B6 B10 B12 -60.7(12) . . . . ? B5 B6 B10 B12 -101.3(10) . . . . ? B2 B6 B10 B12 0.0(13) . . . . ? B11 B6 B10 B12 37.2(8) . . . . ? C1 B6 B10 B9 3.6(12) . . . . ? B5 B6 B10 B9 -37.0(9) . . . . ? B2 B6 B10 B9 64.3(11) . . . . ? B11 B6 B10 B9 101.5(9) . . . . ? C1 B6 B10 B11 -97.9(10) . . . . ? B5 B6 B10 B11 -138.5(9) . . . . ? B2 B6 B10 B11 -37.2(8) . . . . ? B4 B5 B10 B6 -99.8(13) . . . . ? B9 B5 B10 B6 -138.4(10) . . . . ? C1 B5 B10 B6 -39.3(10) . . . . ? B4 B5 B10 B12 0.3(17) . . . . ? B9 B5 B10 B12 -38.2(10) . . . . ? C1 B5 B10 B12 60.9(14) . . . . ? B6 B5 B10 B12 100.1(12) . . . . ? B4 B5 B10 B9 38.6(10) . . . . ? C1 B5 B10 B9 99.1(9) . . . . ? B6 B5 B10 B9 138.4(10) . . . . ? B4 B5 B10 B11 -62.8(15) . . . . ? B9 B5 B10 B11 -101.4(10) . . . . ? C1 B5 B10 B11 -2.3(13) . . . . ? B6 B5 B10 B11 37.0(10) . . . . ? B5 B9 B10 B6 37.4(10) . . . . ? B8 B9 B10 B6 -63.6(11) . . . . ? B4 B9 B10 B6 -0.4(11) . . . . ? B12 B9 B10 B6 -100.4(10) . . . . ? B8 B9 B10 B5 -101.0(10) . . . . ? B4 B9 B10 B5 -37.8(9) . . . . ? B12 B9 B10 B5 -137.7(11) . . . . ? B5 B9 B10 B12 137.7(11) . . . . ? B8 B9 B10 B12 36.7(8) . . . . ? B4 B9 B10 B12 100.0(9) . . . . ? B5 B9 B10 B11 100.4(12) . . . . ? B8 B9 B10 B11 -0.5(12) . . . . ? B4 B9 B10 B11 62.7(11) . . . . ? B12 B9 B10 B11 -37.3(8) . . . . ? B3 B7 B11 B2 36.7(9) . . . . ? B12 B7 B11 B2 136.9(8) . . . . ? B8 B7 B11 B2 100.6(9) . . . . ? Ag1 B7 B11 B2 -120.7(7) . . . . ? B2 B7 B11 B6 -39.1(10) . . . . ? B3 B7 B11 B6 -2.4(12) . . . . ? B12 B7 B11 B6 97.8(10) . . . . ? B8 B7 B11 B6 61.5(12) . . . . ? Ag1 B7 B11 B6 -159.9(9) . . . . ? B2 B7 B11 B12 -136.9(8) . . . . ? B3 B7 B11 B12 -100.2(8) . . . . ? B8 B7 B11 B12 -36.3(7) . . . . ? Ag1 B7 B11 B12 102.3(5) . . . . ? B2 B7 B11 B10 -100.2(10) . . . . ? B3 B7 B11 B10 -63.5(11) . . . . ? B12 B7 B11 B10 36.7(8) . . . . ? B8 B7 B11 B10 0.4(11) . . . . ? Ag1 B7 B11 B10 139.1(8) . . . . ? C1 B2 B11 B7 -97.2(11) . . . . ? B6 B2 B11 B7 -136.1(9) . . . . ? B3 B2 B11 B7 -35.9(9) . . . . ? C1 B2 B11 B6 38.9(10) . . . . ? B7 B2 B11 B6 136.1(9) . . . . ? B3 B2 B11 B6 100.2(11) . . . . ? C1 B2 B11 B12 -58.6(13) . . . . ? B7 B2 B11 B12 38.6(8) . . . . ? B6 B2 B11 B12 -97.5(10) . . . . ? B3 B2 B11 B12 2.7(14) . . . . ? C1 B2 B11 B10 2.7(14) . . . . ? B7 B2 B11 B10 99.9(9) . . . . ? B6 B2 B11 B10 -36.2(10) . . . . ? B3 B2 B11 B10 64.0(13) . . . . ? C1 B6 B11 B7 1.7(14) . . . . ? B10 B6 B11 B7 -99.2(10) . . . . ? B5 B6 B11 B7 -61.6(14) . . . . ? B2 B6 B11 B7 39.1(9) . . . . ? C1 B6 B11 B2 -37.4(10) . . . . ? B10 B6 B11 B2 -138.3(10) . . . . ? B5 B6 B11 B2 -100.7(12) . . . . ? C1 B6 B11 B12 64.9(12) . . . . ? B10 B6 B11 B12 -36.0(9) . . . . ? B5 B6 B11 B12 1.6(14) . . . . ? B2 B6 B11 B12 102.3(9) . . . . ? C1 B6 B11 B10 101.0(11) . . . . ? B5 B6 B11 B10 37.6(10) . . . . ? B2 B6 B11 B10 138.3(10) . . . . ? B6 B10 B11 B7 100.4(10) . . . . ? B5 B10 B11 B7 63.0(12) . . . . ? B12 B10 B11 B7 -37.7(8) . . . . ? B9 B10 B11 B7 0.1(12) . . . . ? B6 B10 B11 B2 37.1(10) . . . . ? B5 B10 B11 B2 -0.2(14) . . . . ? B12 B10 B11 B2 -100.9(10) . . . . ? B9 B10 B11 B2 -63.1(13) . . . . ? B5 B10 B11 B6 -37.3(10) . . . . ? B12 B10 B11 B6 -138.1(9) . . . . ? B9 B10 B11 B6 -100.3(10) . . . . ? B6 B10 B11 B12 138.1(9) . . . . ? B5 B10 B11 B12 100.8(10) . . . . ? B9 B10 B11 B12 37.8(8) . . . . ? B6 B10 B12 B8 64.3(11) . . . . ? B5 B10 B12 B8 0.6(15) . . . . ? B9 B10 B12 B8 -36.9(9) . . . . ? B11 B10 B12 B8 101.4(8) . . . . ? B6 B10 B12 B7 0.2(12) . . . . ? B5 B10 B12 B7 -63.4(14) . . . . ? B9 B10 B12 B7 -101.0(9) . . . . ? B11 B10 B12 B7 37.4(7) . . . . ? B6 B10 B12 B11 -37.1(9) . . . . ? B5 B10 B12 B11 -100.8(13) . . . . ? B9 B10 B12 B11 -138.3(8) . . . . ? B6 B10 B12 B9 101.2(9) . . . . ? B5 B10 B12 B9 37.5(10) . . . . ? B11 B10 B12 B9 138.3(8) . . . . ? B9 B8 B12 B10 37.4(10) . . . . ? B4 B8 B12 B10 -1.3(12) . . . . ? B3 B8 B12 B10 -65.4(11) . . . . ? B7 B8 B12 B10 -101.5(10) . . . . ? B9 B8 B12 B7 138.9(8) . . . . ? B4 B8 B12 B7 100.2(8) . . . . ? B3 B8 B12 B7 36.1(8) . . . . ? B9 B8 B12 B11 103.0(9) . . . . ? B4 B8 B12 B11 64.3(10) . . . . ? B3 B8 B12 B11 0.1(11) . . . . ? B7 B8 B12 B11 -36.0(8) . . . . ? B4 B8 B12 B9 -38.7(8) . . . . ? B3 B8 B12 B9 -102.8(9) . . . . ? B7 B8 B12 B9 -138.9(8) . . . . ? B11 B7 B12 B10 -38.9(8) . . . . ? B2 B7 B12 B10 -0.4(11) . . . . ? B3 B7 B12 B10 64.3(11) . . . . ? B8 B7 B12 B10 100.4(9) . . . . ? Ag1 B7 B12 B10 -114.2(7) . . . . ? B11 B7 B12 B8 -139.2(8) . . . . ? B2 B7 B12 B8 -100.7(8) . . . . ? B3 B7 B12 B8 -36.0(8) . . . . ? Ag1 B7 B12 B8 145.5(7) . . . . ? B2 B7 B12 B11 38.5(8) . . . . ? B3 B7 B12 B11 103.2(10) . . . . ? B8 B7 B12 B11 139.2(8) . . . . ? Ag1 B7 B12 B11 -75.3(6) . . . . ? B11 B7 B12 B9 -102.7(9) . . . . ? B2 B7 B12 B9 -64.2(10) . . . . ? B3 B7 B12 B9 0.5(12) . . . . ? B8 B7 B12 B9 36.5(8) . . . . ? Ag1 B7 B12 B9 -178.1(7) . . . . ? B7 B11 B12 B10 137.6(8) . . . . ? B2 B11 B12 B10 99.1(10) . . . . ? B6 B11 B12 B10 36.0(9) . . . . ? B7 B11 B12 B8 36.7(7) . . . . ? B2 B11 B12 B8 -1.8(12) . . . . ? B6 B11 B12 B8 -64.9(11) . . . . ? B10 B11 B12 B8 -100.9(8) . . . . ? B2 B11 B12 B7 -38.5(9) . . . . ? B6 B11 B12 B7 -101.7(10) . . . . ? B10 B11 B12 B7 -137.6(8) . . . . ? B7 B11 B12 B9 99.7(8) . . . . ? B2 B11 B12 B9 61.2(12) . . . . ? B6 B11 B12 B9 -1.9(12) . . . . ? B10 B11 B12 B9 -37.9(8) . . . . ? B5 B9 B12 B10 -37.1(10) . . . . ? B8 B9 B12 B10 -138.2(10) . . . . ? B4 B9 B12 B10 -99.8(10) . . . . ? B5 B9 B12 B8 101.1(9) . . . . ? B4 B9 B12 B8 38.5(8) . . . . ? B10 B9 B12 B8 138.2(10) . . . . ? B5 B9 B12 B7 64.1(11) . . . . ? B8 B9 B12 B7 -37.1(8) . . . . ? B4 B9 B12 B7 1.4(11) . . . . ? B10 B9 B12 B7 101.2(10) . . . . ? B5 B9 B12 B11 1.5(11) . . . . ? B8 B9 B12 B11 -99.6(9) . . . . ? B4 B9 B12 B11 -61.1(11) . . . . ? B10 B9 B12 B11 38.7(9) . . . . ? _diffrn_measured_fraction_theta_max 0.991 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 1.712 _refine_diff_density_min -1.697 _refine_diff_density_rms 0.179