# Copyright The Royal Society of Chemistry, 1999 # CCDC Number: 186/1499 data_[Ag3(L1)(ClO4)3(H2O)2](1) #------------------------------------------------------------------------------ _audit_creation_date 'Fri May 21 08:54:22 1999' _audit_creation_method 'from TEXRAY.INF file' _audit_update_record ? #------------------------------------------------------------------------------ _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan' _computing_structure_solution SAPI91 _computing_structure_refinement 'teXsan' _computing_publication_material 'teXsan' _computing_molecular_graphics ? #------------------------------------------------------------------------------ _chemical_compound_source ? _chemical_name_common ? _chemical_formula_weight 886.28 _chemical_formula_analytical ? _chemical_formula_sum 'C18 H16 Ag3 Cl3 O14 ' _chemical_formula_moiety 'C18 H16 Ag3 Cl3 O14 ' _chemical_formula_structural ? _chemical_melting_point ? #------------------------------------------------------------------------------ _cell_length_a 5.0817(5) _cell_length_b 18.504(3) _cell_length_c 24.3274(6) _cell_angle_alpha 90 _cell_angle_beta 93.5211(6) _cell_angle_gamma 90 _cell_volume 2283.2(3) _cell_formula_units_Z 4 _cell_measurement_temperature 273.2 _cell_measurement_reflns_used 0 _cell_measurement_theta_min 0.0 _cell_measurement_theta_max 0.0 #------------------------------------------------------------------------------ _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/n ' _symmetry_Int_Tables_number 14 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,1/2+y,1/2-z -x,-y,-z 1/2+x,1/2-y,1/2+z #------------------------------------------------------------------------------ _exptl_crystal_description 'unknown' _exptl_crystal_colour 'unknown' _exptl_crystal_size_max 0.000 _exptl_crystal_size_mid 0.000 _exptl_crystal_size_min 0.000 _exptl_crystal_density_diffrn 2.578 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1712.00 _exptl_absorpt_coefficient_mu 2.968 _exptl_absorpt_correction_type none _exptl_special_details ; ? ; #------------------------------------------------------------------------------ _diffrn_special_details ; ? ; _diffrn_ambient_temperature 273.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'Rigaku sealed tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device_type 'Rigaku unknown' _diffrn_measurement_method ? _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_decay_% 0.00 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_reflns_number 5069 _reflns_number_total 5069 _reflns_number_gt 3819 _reflns_observed_expression >2.0sigma(I) _diffrn_reflns_av_R_equivalents 0.000 _diffrn_reflns_av_sigmaI/netI 0.027 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 31 _diffrn_reflns_theta_min 0.00 _diffrn_reflns_theta_max 27.5 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 0.00000 _diffrn_orient_matrix_UB_12 0.00000 _diffrn_orient_matrix_UB_13 0.00000 _diffrn_orient_matrix_UB_21 0.00000 _diffrn_orient_matrix_UB_22 0.00000 _diffrn_orient_matrix_UB_23 0.00000 _diffrn_orient_matrix_UB_31 0.00000 _diffrn_orient_matrix_UB_32 0.00000 _diffrn_orient_matrix_UB_33 0.00000 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_imag _atom_type_scat_source 'Ag' 'Ag' -0.897 1.101 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'Cl' 'Cl' 0.148 0.159 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'O' 'O' 0.011 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'C' 'C' 0.003 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'H' 'H' 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; #------------------------------------------------------------------------------ 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_calc_flags _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag(1) Ag 0.20279(8) 0.47668(3) 0.81373(2) 0.0468(1) Uani 1.00 d . . . Ag(2) Ag 0.16918(8) 0.47280(2) 0.64499(2) 0.0410(1) Uani 1.00 d . . . Ag(3) Ag 0.18028(8) 0.70687(2) 0.67140(2) 0.0389(1) Uani 1.00 d . . . Cl(1) Cl -0.2146(2) 0.33160(6) 0.63180(5) 0.0271(3) Uani 1.00 d . . . Cl(2) Cl -0.2440(2) 0.58597(6) 0.71905(4) 0.0255(3) Uani 1.00 d . . . Cl(3) Cl -0.2457(2) 0.34341(6) 0.84005(5) 0.0273(3) Uani 1.00 d . . . O(1) O -0.2718(7) 0.4067(2) 0.6430(2) 0.044(1) Uani 1.00 d . . . O(2) O -0.3579(7) 0.3102(2) 0.5824(1) 0.044(1) Uani 1.00 d . . . O(3) O -0.2890(7) 0.2881(2) 0.6771(2) 0.053(1) Uani 1.00 d . . . O(4) O 0.0634(6) 0.3248(2) 0.6265(2) 0.045(1) Uani 1.00 d . . . O(5) O -0.5249(6) 0.5878(2) 0.7081(2) 0.044(1) Uani 1.00 d . . . O(6) O -0.1175(7) 0.5894(2) 0.6674(1) 0.044(1) Uani 1.00 d . . . O(7) O -0.1756(7) 0.5192(2) 0.7464(2) 0.047(1) Uani 1.00 d . . . O(8) O -0.1600(9) 0.6451(2) 0.7528(2) 0.061(1) Uani 1.00 d . . . O(9) O -0.1151(8) 0.3714(3) 0.8889(2) 0.075(2) Uani 1.00 d . . . O(10) O -0.1814(7) 0.2684(2) 0.8351(2) 0.045(1) Uani 1.00 d . . . O(11) O -0.5267(6) 0.3503(2) 0.8432(1) 0.0356(9) Uani 1.00 d . . . O(12) O -0.1647(7) 0.3817(3) 0.7934(2) 0.065(1) Uani 1.00 d . . . O(13) O 0.3249(6) 0.4222(2) 0.7303(1) 0.0323(9) Uani 1.00 d . . . O(14) O 0.2657(7) 0.7654(2) 0.7572(1) 0.043(1) Uani 1.00 d . . . C(1) C 0.2240(9) 0.7293(3) 0.5662(2) 0.027(1) Uani 1.00 d . . . C(2) C 0.3496(8) 0.6645(2) 0.5787(2) 0.023(1) Uani 1.00 d . . . C(3) C 0.2488(8) 0.5990(2) 0.5565(2) 0.0185(10) Uani 1.00 d . . . C(4) C 0.3797(8) 0.5316(2) 0.5686(2) 0.021(1) Uani 1.00 d . . . C(5) C 0.2903(8) 0.4687(2) 0.5452(2) 0.019(1) Uani 1.00 d . . . C(6) C 0.0669(8) 0.4676(2) 0.5062(2) 0.0174(10) Uani 1.00 d . . . C(7) C 0.0241(7) 0.6000(2) 0.5193(2) 0.0182(10) Uani 1.00 d . . . C(8) C -0.1052(8) 0.6664(2) 0.5089(2) 0.023(1) Uani 1.00 d . . . C(9) C -0.0113(9) 0.7294(3) 0.5321(2) 0.029(1) Uani 1.00 d . . . C(10) C 0.4028(9) 0.5055(3) 0.9077(2) 0.030(1) Uani 1.00 d . . . C(11) C 0.5048(9) 0.5510(3) 0.8690(2) 0.036(1) Uani 1.00 d . . . C(12) C 0.411(1) 0.6212(3) 0.8617(2) 0.042(2) Uani 1.00 d . . . C(13) C 0.220(1) 0.6467(3) 0.8937(2) 0.039(1) Uani 1.00 d . . . C(14) C 0.1133(9) 0.6026(3) 0.9342(2) 0.029(1) Uani 1.00 d . . . C(15) C 0.2016(8) 0.5305(2) 0.9415(2) 0.024(1) Uani 1.00 d . . . C(16) C 0.0962(8) 0.4854(2) 0.9836(2) 0.023(1) Uani 1.00 d . . . C(17) C 0.1860(9) 0.4136(3) 0.9933(2) 0.027(1) Uani 1.00 d . . . C(18) C -0.0860(9) 0.6287(2) 0.9680(2) 0.029(1) Uani 1.00 d . . . H(1) H 0.2955 0.7739 0.5811 0.0320 Uiso 1.00 calc . . . H(2) H 0.5070 0.6642 0.6029 0.0277 Uiso 1.00 calc . . . H(3) H 0.5320 0.5310 0.5935 0.0263 Uiso 1.00 calc . . . H(4) H 0.3775 0.4240 0.5551 0.0221 Uiso 1.00 calc . . . H(5) H -0.2606 0.6674 0.4851 0.0272 Uiso 1.00 calc . . . H(6) H -0.1048 0.7732 0.5256 0.0341 Uiso 1.00 calc . . . H(7) H 0.4656 0.4560 0.9117 0.0352 Uiso 1.00 calc . . . H(8) H 0.6419 0.5342 0.8467 0.0430 Uiso 1.00 calc . . . H(9) H 0.4811 0.6512 0.8343 0.0498 Uiso 1.00 calc . . . H(10) H 0.1579 0.6949 0.8888 0.0468 Uiso 1.00 calc . . . H(11) H 0.3219 0.3948 0.9717 0.0326 Uiso 1.00 calc . . . H(12) H -0.1483 0.6768 0.9630 0.0357 Uiso 1.00 calc . . . H(13) H 0.2653 0.3736 0.7306 0.0393 Uiso 1.00 calc . . . H(14) H 0.5123 0.4229 0.7310 0.0393 Uiso 1.00 calc . . . H(15) H 0.1301 0.7698 0.7823 0.0507 Uiso 1.00 calc . . . H(16) H 0.4360 0.7848 0.7668 0.0507 Uiso 1.00 calc . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag(1) 0.0484(3) 0.0537(3) 0.0372(2) 0.0008(2) -0.0070(2) -0.0146(2) Ag(2) 0.0482(2) 0.0451(3) 0.0299(2) -0.0076(2) 0.0031(2) 0.0082(2) Ag(3) 0.0422(2) 0.0339(2) 0.0411(2) -0.0015(2) 0.0081(2) -0.0032(2) Cl(1) 0.0248(5) 0.0276(6) 0.0288(5) 0.0008(4) 0.0003(4) 0.0009(5) Cl(2) 0.0239(5) 0.0242(6) 0.0281(5) -0.0009(4) -0.0011(4) 0.0022(4) Cl(3) 0.0253(5) 0.0202(6) 0.0354(6) 0.0023(4) -0.0057(4) 0.0001(4) O(1) 0.045(2) 0.031(2) 0.057(2) 0.005(2) 0.002(2) -0.010(2) O(2) 0.043(2) 0.052(3) 0.036(2) -0.004(2) -0.010(2) -0.007(2) O(3) 0.046(2) 0.067(3) 0.046(2) -0.003(2) 0.008(2) 0.025(2) O(4) 0.023(2) 0.060(3) 0.052(2) 0.004(2) 0.002(2) 0.003(2) O(5) 0.021(2) 0.051(2) 0.060(2) 0.003(2) -0.002(2) 0.008(2) O(6) 0.039(2) 0.062(3) 0.032(2) -0.003(2) 0.009(2) 0.003(2) O(7) 0.046(2) 0.037(2) 0.056(2) 0.004(2) -0.010(2) 0.018(2) O(8) 0.080(3) 0.042(3) 0.059(3) -0.019(2) -0.002(2) -0.019(2) O(9) 0.060(3) 0.080(4) 0.080(3) 0.021(2) -0.043(2) -0.043(3) O(10) 0.046(2) 0.024(2) 0.064(3) 0.010(2) 0.001(2) 0.001(2) O(11) 0.021(2) 0.041(2) 0.045(2) 0.002(1) 0.001(1) 0.002(2) O(12) 0.043(2) 0.073(3) 0.080(3) 0.006(2) 0.018(2) 0.045(3) O(13) 0.030(2) 0.036(2) 0.031(2) 0.002(1) -0.001(1) 0.000(2) O(14) 0.040(2) 0.051(2) 0.037(2) -0.011(2) 0.003(2) 0.004(2) C(1) 0.033(2) 0.023(2) 0.024(2) -0.009(2) 0.002(2) -0.004(2) C(2) 0.026(2) 0.026(2) 0.017(2) -0.006(2) 0.003(2) -0.001(2) C(3) 0.019(2) 0.022(2) 0.015(2) -0.004(2) 0.004(2) -0.003(2) C(4) 0.018(2) 0.028(2) 0.017(2) -0.003(2) -0.002(2) -0.003(2) C(5) 0.021(2) 0.020(2) 0.015(2) 0.001(2) 0.000(2) 0.000(2) C(6) 0.021(2) 0.019(2) 0.012(2) -0.004(2) 0.002(1) -0.001(2) C(7) 0.022(2) 0.018(2) 0.015(2) -0.004(2) 0.002(2) -0.003(2) C(8) 0.021(2) 0.026(2) 0.021(2) 0.000(2) -0.001(2) 0.001(2) C(9) 0.035(2) 0.019(2) 0.031(2) 0.003(2) -0.001(2) -0.002(2) C(10) 0.036(2) 0.027(3) 0.026(2) -0.001(2) -0.004(2) -0.009(2) C(11) 0.036(3) 0.046(3) 0.027(2) 0.001(2) 0.003(2) -0.010(2) C(12) 0.050(3) 0.045(3) 0.032(3) -0.003(3) 0.006(2) 0.007(2) C(13) 0.047(3) 0.032(3) 0.038(3) 0.002(2) 0.005(2) 0.007(2) C(14) 0.034(2) 0.028(3) 0.024(2) 0.002(2) -0.004(2) -0.004(2) C(15) 0.024(2) 0.026(2) 0.022(2) 0.000(2) -0.005(2) -0.004(2) C(16) 0.025(2) 0.019(2) 0.022(2) 0.000(2) -0.006(2) -0.005(2) C(17) 0.030(2) 0.027(3) 0.024(2) 0.005(2) 0.001(2) -0.008(2) C(18) 0.037(2) 0.021(2) 0.030(2) 0.008(2) 0.001(2) -0.004(2) #------------------------------------------------------------------------------ _refine_special_details ; Refinement based on 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 calculated 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. thus the refinement was done using all reflections. R-factors based on F^2^ are statistically about twice as large as those based on F, and R-factor 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 'w = 1/[\s^2^(Fo^2^) + 0.00360(Fo^2^)^2^]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 5052 _refine_ls_number_parameters 343 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0641 _refine_ls_R_factor_gt 0.0397 _refine_ls_wR_factor_all ? _refine_ls_wR_factor_ref 0.1071 _refine_ls_wR_factor_gt 0.0975 _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_ref 1.175 _refine_ls_shift/su_max 0.0020 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_min -1.47 _refine_diff_density_max 2.30 #------------------------------------------------------------------------------ _geom_special_details ; ? ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag(1) O(7) 2.572(4) 1_555 1_555 yes Ag(1) O(12) 2.590(5) 1_555 1_555 yes Ag(1) O(13) 2.383(3) 1_555 1_555 yes Ag(1) C(10) 2.502(4) 1_555 1_555 yes Ag(1) C(11) 2.408(5) 1_555 1_555 yes Ag(2) O(1) 2.550(4) 1_555 1_555 yes Ag(2) O(13) 2.367(3) 1_555 1_555 yes Ag(2) C(4) 2.454(4) 1_555 1_555 yes Ag(2) C(5) 2.542(4) 1_555 1_555 yes Ag(3) O(14) 2.367(4) 1_555 1_555 yes Ag(3) C(1) 2.616(4) 1_555 1_555 yes Ag(3) C(2) 2.584(4) 1_555 1_555 yes Cl(1) O(1) 1.449(4) 1_555 1_555 yes Cl(1) O(2) 1.422(4) 1_555 1_555 yes Cl(1) O(3) 1.434(4) 1_555 1_555 yes Cl(1) O(4) 1.432(3) 1_555 1_555 yes Cl(2) O(5) 1.436(3) 1_555 1_555 yes Cl(2) O(6) 1.447(3) 1_555 1_555 yes Cl(2) O(7) 1.436(4) 1_555 1_555 yes Cl(2) O(8) 1.417(4) 1_555 1_555 yes Cl(3) O(9) 1.423(4) 1_555 1_555 yes Cl(3) O(10) 1.433(4) 1_555 1_555 yes Cl(3) O(11) 1.440(3) 1_555 1_555 yes Cl(3) O(12) 1.420(4) 1_555 1_555 yes C(1) C(2) 1.382(7) 1_555 1_555 yes C(1) C(9) 1.413(6) 1_555 1_555 yes C(2) C(3) 1.411(6) 1_555 1_555 yes C(3) C(4) 1.436(6) 1_555 1_555 yes C(3) C(7) 1.412(6) 1_555 1_555 yes C(4) C(5) 1.361(6) 1_555 1_555 yes C(5) C(6) 1.434(6) 1_555 1_555 yes C(6) C(6) 1.404(8) 1_555 3_566 yes C(6) C(7) 1.459(5) 1_555 3_566 yes C(7) C(8) 1.408(6) 1_555 1_555 yes C(8) C(9) 1.369(6) 1_555 1_555 yes C(10) C(11) 1.387(7) 1_555 1_555 yes C(10) C(15) 1.427(6) 1_555 1_555 yes C(11) C(12) 1.391(8) 1_555 1_555 yes C(12) C(13) 1.369(7) 1_555 1_555 yes C(13) C(14) 1.412(7) 1_555 1_555 yes C(14) C(15) 1.416(6) 1_555 1_555 yes C(14) C(18) 1.428(6) 1_555 1_555 yes C(15) C(16) 1.448(6) 1_555 1_555 yes C(16) C(16) 1.407(8) 1_555 3_567 yes C(16) C(17) 1.421(6) 1_555 1_555 yes C(17) C(18) 1.347(6) 1_555 3_567 yes #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O(7) Ag(1) O(12) 65.4(1) 1_555 1_555 1_555 yes O(7) Ag(1) O(13) 79.1(1) 1_555 1_555 1_555 yes O(7) Ag(1) C(10) 139.7(1) 1_555 1_555 1_555 yes O(7) Ag(1) C(11) 127.4(2) 1_555 1_555 1_555 yes O(12) Ag(1) O(13) 76.9(1) 1_555 1_555 1_555 yes O(12) Ag(1) C(10) 124.5(1) 1_555 1_555 1_555 yes O(12) Ag(1) C(11) 157.1(2) 1_555 1_555 1_555 yes O(13) Ag(1) C(10) 139.2(1) 1_555 1_555 1_555 yes O(13) Ag(1) C(11) 121.8(1) 1_555 1_555 1_555 yes C(10) Ag(1) C(11) 32.8(2) 1_555 1_555 1_555 yes O(1) Ag(2) O(13) 94.2(1) 1_555 1_555 1_555 yes O(1) Ag(2) C(4) 128.4(1) 1_555 1_555 1_555 yes O(1) Ag(2) C(5) 103.4(1) 1_555 1_555 1_555 yes O(13) Ag(2) C(4) 134.5(1) 1_555 1_555 1_555 yes O(13) Ag(2) C(5) 137.5(1) 1_555 1_555 1_555 yes C(4) Ag(2) C(5) 31.6(1) 1_555 1_555 1_555 yes O(14) Ag(3) C(1) 140.2(1) 1_555 1_555 1_555 yes O(14) Ag(3) C(2) 148.8(1) 1_555 1_555 1_555 yes C(1) Ag(3) C(2) 30.8(1) 1_555 1_555 1_555 yes O(1) Cl(1) O(2) 109.1(2) 1_555 1_555 1_555 yes O(1) Cl(1) O(3) 109.2(2) 1_555 1_555 1_555 yes O(1) Cl(1) O(4) 108.1(2) 1_555 1_555 1_555 yes O(2) Cl(1) O(3) 110.3(2) 1_555 1_555 1_555 yes O(2) Cl(1) O(4) 110.9(2) 1_555 1_555 1_555 yes O(3) Cl(1) O(4) 109.2(2) 1_555 1_555 1_555 yes O(5) Cl(2) O(6) 109.1(2) 1_555 1_555 1_555 yes O(5) Cl(2) O(7) 108.4(2) 1_555 1_555 1_555 yes O(5) Cl(2) O(8) 110.5(3) 1_555 1_555 1_555 yes O(6) Cl(2) O(7) 109.4(2) 1_555 1_555 1_555 yes O(6) Cl(2) O(8) 109.6(3) 1_555 1_555 1_555 yes O(7) Cl(2) O(8) 109.9(3) 1_555 1_555 1_555 yes O(9) Cl(3) O(10) 109.0(3) 1_555 1_555 1_555 yes O(9) Cl(3) O(11) 109.7(2) 1_555 1_555 1_555 yes O(9) Cl(3) O(12) 110.1(3) 1_555 1_555 1_555 yes O(10) Cl(3) O(11) 108.8(2) 1_555 1_555 1_555 yes O(10) Cl(3) O(12) 109.7(3) 1_555 1_555 1_555 yes O(11) Cl(3) O(12) 109.5(2) 1_555 1_555 1_555 yes Ag(2) O(1) Cl(1) 106.1(2) 1_555 1_555 1_555 yes Ag(1) O(7) Cl(2) 135.1(2) 1_555 1_555 1_555 yes Ag(1) O(12) Cl(3) 115.3(3) 1_555 1_555 1_555 yes Ag(1) O(13) Ag(2) 119.3(1) 1_555 1_555 1_555 yes Ag(1) O(13) H(13) 107.0(2) 1_555 1_555 1_555 no Ag(1) O(13) H(14) 106.9(2) 1_555 1_555 1_555 no Ag(2) O(13) H(13) 107.0(2) 1_555 1_555 1_555 no Ag(2) O(13) H(14) 107.0(2) 1_555 1_555 1_555 no H(13) O(13) H(14) 109.3(3) 1_555 1_555 1_555 no Ag(3) O(14) H(15) 120.3(3) 1_555 1_555 1_555 no Ag(3) O(14) H(16) 120.3(3) 1_555 1_555 1_555 no H(15) O(14) H(16) 119.4(4) 1_555 1_555 1_555 no Ag(3) C(1) C(2) 73.3(2) 1_555 1_555 1_555 yes Ag(3) C(1) C(9) 117.1(3) 1_555 1_555 1_555 yes Ag(3) C(1) H(1) 79.7(3) 1_555 1_555 1_555 no C(2) C(1) C(9) 119.6(4) 1_555 1_555 1_555 yes C(2) C(1) H(1) 120.1(4) 1_555 1_555 1_555 no C(9) C(1) H(1) 120.4(5) 1_555 1_555 1_555 no Ag(3) C(2) C(1) 75.9(3) 1_555 1_555 1_555 yes Ag(3) C(2) C(3) 117.6(3) 1_555 1_555 1_555 yes Ag(3) C(2) H(2) 77.2(2) 1_555 1_555 1_555 no C(1) C(2) C(3) 120.5(4) 1_555 1_555 1_555 yes C(1) C(2) H(2) 119.7(4) 1_555 1_555 1_555 no C(3) C(2) H(2) 119.8(4) 1_555 1_555 1_555 no C(2) C(3) C(4) 121.0(4) 1_555 1_555 1_555 yes C(2) C(3) C(7) 119.6(4) 1_555 1_555 1_555 yes C(4) C(3) C(7) 119.3(4) 1_555 1_555 1_555 yes Ag(2) C(4) C(3) 108.9(3) 1_555 1_555 1_555 yes Ag(2) C(4) C(5) 77.8(2) 1_555 1_555 1_555 yes Ag(2) C(4) H(3) 83.6(3) 1_555 1_555 1_555 no C(3) C(4) C(5) 121.2(4) 1_555 1_555 1_555 yes C(3) C(4) H(3) 119.3(4) 1_555 1_555 1_555 no C(5) C(4) H(3) 119.5(4) 1_555 1_555 1_555 no Ag(2) C(5) C(4) 70.7(2) 1_555 1_555 1_555 yes Ag(2) C(5) C(6) 113.8(2) 1_555 1_555 1_555 yes Ag(2) C(5) H(4) 85.5(2) 1_555 1_555 1_555 no C(4) C(5) C(6) 121.3(4) 1_555 1_555 1_555 yes C(4) C(5) H(4) 119.6(4) 1_555 1_555 1_555 no C(6) C(5) H(4) 119.1(4) 1_555 1_555 1_555 no C(5) C(6) C(6) 118.9(5) 1_555 1_555 3_566 yes C(5) C(6) C(7) 120.8(4) 1_555 1_555 3_566 yes C(6) C(6) C(7) 120.3(4) 3_566 1_555 3_566 yes C(3) C(7) C(6) 119.0(4) 1_555 1_555 3_566 yes C(3) C(7) C(8) 118.5(4) 1_555 1_555 1_555 yes C(6) C(7) C(8) 122.5(4) 3_566 1_555 1_555 yes C(7) C(8) C(9) 121.4(4) 1_555 1_555 1_555 yes C(7) C(8) H(5) 119.2(4) 1_555 1_555 1_555 no C(9) C(8) H(5) 119.4(4) 1_555 1_555 1_555 no C(1) C(9) C(8) 120.2(4) 1_555 1_555 1_555 yes C(1) C(9) H(6) 119.8(5) 1_555 1_555 1_555 no C(8) C(9) H(6) 120.1(4) 1_555 1_555 1_555 no Ag(1) C(10) C(11) 69.9(3) 1_555 1_555 1_555 yes Ag(1) C(10) C(15) 109.3(3) 1_555 1_555 1_555 yes Ag(1) C(10) H(7) 90.1(3) 1_555 1_555 1_555 no C(11) C(10) C(15) 120.4(4) 1_555 1_555 1_555 yes C(11) C(10) H(7) 120.2(4) 1_555 1_555 1_555 no C(15) C(10) H(7) 119.4(5) 1_555 1_555 1_555 no Ag(1) C(11) C(10) 77.3(3) 1_555 1_555 1_555 yes Ag(1) C(11) C(12) 105.1(4) 1_555 1_555 1_555 yes Ag(1) C(11) H(8) 87.7(3) 1_555 1_555 1_555 no C(10) C(11) C(12) 121.0(4) 1_555 1_555 1_555 yes C(10) C(11) H(8) 120.1(5) 1_555 1_555 1_555 no C(12) C(11) H(8) 118.9(5) 1_555 1_555 1_555 no C(11) C(12) C(13) 119.8(5) 1_555 1_555 1_555 yes C(11) C(12) H(9) 119.8(5) 1_555 1_555 1_555 no C(13) C(12) H(9) 120.4(6) 1_555 1_555 1_555 no C(12) C(13) C(14) 121.0(5) 1_555 1_555 1_555 yes C(12) C(13) H(10) 119.5(5) 1_555 1_555 1_555 no C(14) C(13) H(10) 119.6(5) 1_555 1_555 1_555 no C(13) C(14) C(15) 120.0(4) 1_555 1_555 1_555 yes C(13) C(14) C(18) 121.4(4) 1_555 1_555 1_555 yes C(15) C(14) C(18) 118.5(4) 1_555 1_555 1_555 yes C(10) C(15) C(14) 117.8(4) 1_555 1_555 1_555 yes C(10) C(15) C(16) 122.0(4) 1_555 1_555 1_555 yes C(14) C(15) C(16) 120.2(4) 1_555 1_555 1_555 yes C(15) C(16) C(16) 118.8(5) 1_555 1_555 3_567 yes C(15) C(16) C(17) 121.8(4) 1_555 1_555 1_555 yes C(16) C(16) C(17) 119.4(5) 3_567 1_555 1_555 yes C(16) C(17) C(18) 121.9(4) 1_555 1_555 3_567 yes C(16) C(17) H(11) 118.9(4) 1_555 1_555 1_555 no C(18) C(17) H(11) 119.2(5) 3_567 1_555 1_555 no C(14) C(18) C(17) 121.1(4) 1_555 1_555 3_567 yes C(14) C(18) H(12) 119.1(5) 1_555 1_555 1_555 no C(17) C(18) H(12) 119.8(4) 3_567 1_555 1_555 no #------------------------------------------------------------------------------ loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag Ag(1) O(7) 2.572(4) 1_555 1_555 ? Ag(1) O(12) 2.590(5) 1_555 1_555 ? Ag(1) C(10) 2.502(4) 1_555 1_555 ? Ag(2) O(1) 2.550(4) 1_555 1_555 ? Ag(2) C(5) 2.542(4) 1_555 1_555 ? Ag(3) C(1) 2.616(4) 1_555 1_555 ? Ag(3) C(2) 2.584(4) 1_555 1_555 ? Ag(1) O(11) 2.784(3) 1_555 1_655 ? Ag(2) O(5) 3.001(4) 1_555 1_655 ? Ag(2) O(1) 3.096(4) 1_555 1_655 ? Ag(3) O(10) 2.774(4) 1_555 2_456 ? Ag(3) O(5) 2.782(4) 1_555 1_655 ? Ag(3) O(11) 2.783(4) 1_555 2_456 ? Ag(3) O(10) 2.803(3) 1_555 2_556 ? Ag(3) Cl(3) 3.356(1) 1_555 2_456 ? O(1) O(13) 3.054(5) 1_555 1_455 ? O(1) C(5) 3.358(6) 1_555 1_455 ? O(1) C(4) 3.369(6) 1_555 1_455 ? O(2) O(4) 3.203(5) 1_555 1_455 ? O(2) C(8) 3.439(5) 1_555 3_466 ? O(2) C(5) 3.525(6) 1_555 1_455 ? O(2) C(18) 3.580(6) 1_555 2_446 ? O(3) O(14) 3.013(5) 1_555 2_446 ? O(3) O(14) 3.047(5) 1_555 2_546 ? O(3) O(8) 3.168(6) 1_555 2_446 ? O(3) O(13) 3.464(5) 1_555 1_455 ? O(3) O(4) 3.509(5) 1_555 1_455 ? O(4) O(14) 3.110(5) 1_555 2_546 ? O(4) C(13) 3.520(7) 1_555 2_546 ? O(5) O(6) 3.112(5) 1_555 1_455 ? O(5) O(13) 3.210(5) 1_555 1_455 ? O(5) C(2) 3.477(6) 1_555 1_455 ? O(5) C(4) 3.554(6) 1_555 1_455 ? O(6) O(10) 3.465(5) 1_555 2_456 ? O(6) C(4) 3.563(6) 1_555 1_455 ? O(7) O(13) 3.114(5) 1_555 1_455 ? O(7) C(11) 3.532(6) 1_555 1_455 ? O(8) O(10) 3.196(6) 1_555 2_456 ? O(8) C(12) 3.558(7) 1_555 1_455 ? O(9) O(11) 3.277(5) 1_555 1_655 ? O(9) C(1) 3.433(7) 1_555 2_546 ? O(9) C(10) 3.537(6) 1_555 1_455 ? O(10) O(14) 3.176(5) 1_555 2_546 ? O(10) C(2) 3.240(6) 1_555 2_546 ? O(10) C(1) 3.318(6) 1_555 2_546 ? O(11) O(14) 3.088(5) 1_555 2_446 ? O(11) O(13) 3.103(5) 1_555 1_455 ? O(11) C(10) 3.303(6) 1_555 1_455 ? O(11) C(1) 3.340(6) 1_555 2_446 ? O(11) O(12) 3.440(5) 1_555 1_455 ? O(12) O(13) 3.027(5) 1_555 1_455 ? O(12) O(14) 3.250(6) 1_555 2_546 ? O(13) O(14) 2.957(5) 1_555 2_546 ? C(2) C(8) 3.338(5) 1_555 1_655 ? C(4) C(5) 3.325(5) 1_555 3_666 ? C(4) C(6) 3.443(5) 1_555 3_666 ? C(5) C(5) 3.361(7) 1_555 3_666 ? C(10) C(17) 3.432(6) 1_555 3_667 ? C(10) C(16) 3.560(6) 1_555 3_667 ? C(11) C(18) 3.402(7) 1_555 1_655 ? C(11) C(14) 3.519(7) 1_555 1_655 ? C(12) C(18) 3.524(7) 1_555 1_655 ? C(15) C(17) 3.559(6) 1_555 3_667 ? Ag(1) O(7) 2.572(4) 1_555 1_555 ? Ag(1) O(12) 2.590(5) 1_555 1_555 ? Ag(1) O(11) 2.784(3) 1_555 1_655 ? Ag(2) O(1) 2.550(4) 1_555 1_555 ? Ag(2) O(6) 2.678(4) 1_555 1_555 ? Ag(2) O(4) 2.821(4) 1_555 1_555 ? Ag(3) O(6) 2.647(4) 1_555 1_555 ? Ag(3) O(10) 2.774(4) 1_555 2_456 ? Ag(3) O(5) 2.782(4) 1_555 1_655 ? Ag(3) O(11) 2.783(4) 1_555 2_456 ? Ag(3) O(10) 2.803(3) 1_555 2_556 ? Ag(3) O(8) 2.939(5) 1_555 1_555 ? O(7) O(12) 2.789(6) 1_555 1_555 ? O(13) O(14) 2.957(5) 1_555 2_546 ? #------------------------------------------------------------------------------ _publ_contact_author_name ' ENTER NAME' _publ_contact_author_address ; ENTER ADDRESS ; _publ_contact_author_email ' ENTER EMAIL ADDRESS ' _publ_contact_author_fax ' ENTER FAX NUMBER ' _publ_contact_author_phone ' ENTER PHONE NUMBER ' _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_journal ' ENTER JOURNAL NAME HERE' _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_requested_coeditor_name ? _publ_section_title ; ENTER SECTION TITLE ; _publ_section_title_footnote ; ENTER FOOTNOTE TO TITLE OF PAPER ; _publ_section_synopsis ; ENTER SYNOPSIS ; _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_comment ; ENTER TEXT ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_experimental ; ENTER EXPERIMENTAL SECTION ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation, Rigaku Corporation. (1998). teXsan. Single Crystal Structure Analysis Software. Version 1.9. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Rigaku, 3-9-12 Akishima, Tokyo, Japan. ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; _publ_section_exptl_prep ; ENTER COMPOUND PREPARATION DETAILS ; _publ_section_exptl_refinement ; ENTER SPECIAL DETAILS OF THE REFINEMENT ; #===END data_[Ag2(L2)(ClO4)2](2) #------------------------------------------------------------------------------ _audit_creation_date 'Fri May 21 02:24:20 1999' _audit_creation_method 'from TEXRAY.INF file' _audit_update_record ? #------------------------------------------------------------------------------ _computing_data_collection 'Rigaku/AFC Diffractometer Control' _computing_cell_refinement 'Rigaku/AFC Diffractometer Control' _computing_data_reduction 'teXsan' _computing_structure_solution SIR88 _computing_structure_refinement 'teXsan' _computing_publication_material 'teXsan' _computing_molecular_graphics ? #------------------------------------------------------------------------------ _chemical_compound_source ? _chemical_name_common ? _chemical_formula_weight 346.49 _chemical_formula_analytical ? _chemical_formula_sum 'C11 H7 Ag Cl O4 ' _chemical_formula_moiety 'C11 H7 Ag Cl O4 ' _chemical_formula_structural ? _chemical_melting_point ? #------------------------------------------------------------------------------ _cell_length_a 8.304(5) _cell_length_b 16.033(7) _cell_length_c 15.624(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2080(2) _cell_formula_units_Z 8 _cell_measurement_temperature 296.2 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 12.1 _cell_measurement_theta_max 14.1 #------------------------------------------------------------------------------ _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P n m a ' _symmetry_Int_Tables_number 62 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2+x,1/2-y,1/2-z -x,1/2+y,-z 1/2-x,-y,1/2+z -x,-y,-z 1/2-x,1/2+y,1/2+z x,1/2-y,z 1/2+x,y,1/2-z #------------------------------------------------------------------------------ _exptl_crystal_description 'plate' _exptl_crystal_colour 'yellow' _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.200 _exptl_crystal_size_min 0.100 _exptl_crystal_density_diffrn 2.213 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1352.00 _exptl_absorpt_coefficient_mu 2.186 _exptl_absorpt_correction_type psi-scan _exptl_absorpt_process_details '(North, Phillips & Mathews, 1968)' _exptl_absorpt_correction_T_min 0.686 _exptl_absorpt_correction_T_max 0.999 _exptl_special_details ; ? ; #------------------------------------------------------------------------------ _diffrn_special_details ; ? ; _diffrn_ambient_temperature 296.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'Rigaku rotating anode' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device_type 'Rigaku AFC7R' _diffrn_measurement_method \w-2\q _diffrn_standards_number 3 _diffrn_standards_interval_count 150 _diffrn_standards_decay_% 0.76 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l -4 2 -1 -4 2 0 -2 1 1 _diffrn_reflns_number 2474 _reflns_number_total 2474 _reflns_number_gt 1667 _reflns_observed_expression >2.0sigma(I) _diffrn_reflns_av_R_equivalents 0.000 _diffrn_reflns_av_sigmaI/netI 0.097 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 0 _diffrn_reflns_theta_min 2.45 _diffrn_reflns_theta_max 27.50 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 0.05657 _diffrn_orient_matrix_UB_12 0.00764 _diffrn_orient_matrix_UB_13 0.05597 _diffrn_orient_matrix_UB_21 0.10561 _diffrn_orient_matrix_UB_22 0.00297 _diffrn_orient_matrix_UB_23 -0.03057 _diffrn_orient_matrix_UB_31 -0.01210 _diffrn_orient_matrix_UB_32 0.06183 _diffrn_orient_matrix_UB_33 -0.00546 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_imag _atom_type_scat_source 'Ag' 'Ag' -0.897 1.101 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'Cl' 'Cl' 0.148 0.159 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'O' 'O' 0.011 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'C' 'C' 0.003 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'H' 'H' 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; #------------------------------------------------------------------------------ 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_calc_flags _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag(1) Ag 0.9994(1) 0.2500 0.35851(6) 0.0589(3) Uani 1.00 d S . . Ag(2) Ag 1.3449(1) 0.2500 0.56772(5) 0.0515(2) Uani 1.00 d S . . Cl(1) Cl 1.4319(3) 0.2500 0.3519(2) 0.0521(7) Uani 1.00 d S . . Cl(2) Cl 1.7001(3) 0.2500 0.6745(2) 0.0519(7) Uani 1.00 d S . . O(1) O 1.289(2) 0.2500 0.393(2) 0.186(8) Uani 1.00 d S . . O(2) O 1.483(2) 0.311(1) 0.309(1) 0.34(1) Uani 1.00 d . . . O(3) O 1.508(3) 0.2500 0.417(1) 0.47(3) Uani 1.00 d S . . O(4) O 1.628(1) 0.2500 0.5913(6) 0.087(3) Uani 1.00 d S . . O(5) O 1.846(2) 0.2500 0.660(2) 0.41(2) Uani 1.00 d S . . O(6) O 1.665(2) 0.1845(7) 0.7178(7) 0.237(8) Uani 1.00 d . . . C(1) C 0.9413(8) 0.1305(4) 0.4666(5) 0.050(2) Uani 1.00 d . . . C(2) C 0.8835(9) 0.1082(5) 0.3865(6) 0.057(2) Uani 1.00 d . . . C(3) C 0.9767(9) 0.0588(5) 0.3330(6) 0.058(2) Uani 1.00 d . . . C(4) C 1.1260(9) 0.0302(5) 0.3590(5) 0.051(2) Uani 1.00 d . . . C(5) C 1.1884(7) 0.0537(4) 0.4413(4) 0.039(2) Uani 1.00 d . . . C(6) C 1.3462(7) 0.0263(4) 0.4693(4) 0.038(2) Uani 1.00 d . . . C(7) C 1.4052(8) 0.0509(4) 0.5511(4) 0.039(2) Uani 1.00 d . . . C(8) C 1.3015(8) 0.1031(4) 0.6046(5) 0.046(2) Uani 1.00 d . . . C(9) C 1.1543(8) 0.1267(4) 0.5772(5) 0.046(2) Uani 1.00 d . . . C(10) C 1.0935(8) 0.1045(4) 0.4935(5) 0.043(2) Uani 1.00 d . . . C(11) C 1.4447(8) -0.0261(4) 0.4196(4) 0.043(2) Uani 1.00 d . . . H(1) H 0.8790 0.1743 0.5054 0.0950 Uiso 1.00 calc . . . H(2) H 0.7556 0.1257 0.3731 0.0950 Uiso 1.00 calc . . . H(3) H 0.9417 0.0316 0.2703 0.0950 Uiso 1.00 calc . . . H(4) H 1.1787 -0.0207 0.3142 0.0950 Uiso 1.00 calc . . . H(5) H 1.3385 0.1206 0.6613 0.0950 Uiso 1.00 calc . . . H(6) H 1.0628 0.1467 0.6125 0.0950 Uiso 1.00 calc . . . H(7) H 1.4184 -0.0547 0.3687 0.0950 Uiso 1.00 calc . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag(1) 0.0812(7) 0.0435(4) 0.0520(5) 0.0000 -0.0089(4) 0.0000 Ag(2) 0.0558(5) 0.0441(4) 0.0548(5) 0.0000 -0.0077(4) 0.0000 Cl(1) 0.059(2) 0.057(1) 0.039(1) 0.0000 0.009(1) 0.0000 Cl(2) 0.040(1) 0.073(2) 0.043(1) 0.0000 -0.003(1) 0.0000 O(1) 0.079(8) 0.15(1) 0.33(3) 0.0000 0.05(1) 0.0000 O(2) 0.41(3) 0.31(2) 0.30(2) -0.21(2) 0.00(2) 0.19(2) O(3) 0.23(3) 1.1(1) 0.09(1) 0.0000 0.00(2) 0.0000 O(4) 0.077(6) 0.122(8) 0.061(5) 0.0000 -0.026(5) 0.0000 O(5) 0.057(9) 0.98(8) 0.18(2) 0.0000 -0.01(1) 0.0000 O(6) 0.45(3) 0.144(9) 0.117(9) -0.07(1) -0.08(1) 0.053(7) C(1) 0.039(4) 0.041(4) 0.069(5) 0.002(3) 0.006(3) 0.015(4) C(2) 0.043(4) 0.047(4) 0.079(6) -0.005(3) -0.006(4) 0.013(4) C(3) 0.055(4) 0.050(4) 0.070(5) -0.009(4) -0.011(4) 0.005(4) C(4) 0.051(4) 0.044(4) 0.059(5) -0.006(3) -0.010(3) 0.000(3) C(5) 0.038(3) 0.032(3) 0.047(4) -0.009(2) -0.003(3) 0.009(3) C(6) 0.043(3) 0.032(3) 0.039(3) -0.003(3) 0.000(3) 0.005(3) C(7) 0.040(3) 0.033(3) 0.043(3) -0.003(3) 0.006(3) 0.005(3) C(8) 0.052(4) 0.041(3) 0.044(4) 0.001(3) 0.004(3) 0.005(3) C(9) 0.041(3) 0.044(3) 0.054(4) -0.001(3) 0.012(3) 0.009(3) C(10) 0.041(3) 0.037(3) 0.052(4) -0.011(3) 0.008(3) 0.009(3) C(11) 0.049(4) 0.037(3) 0.043(3) -0.002(3) 0.002(3) 0.002(3) #------------------------------------------------------------------------------ _refine_special_details ; Refinement based on 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 calculated 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. thus the refinement was done using all reflections. R-factors based on F^2^ are statistically about twice as large as those based on F, and R-factor 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 'w = 1/[\s^2^(Fo^2^) + 0.00360(Fo^2^)^2^]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 2474 _refine_ls_number_parameters 166 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0996 _refine_ls_R_factor_gt 0.0595 _refine_ls_wR_factor_all ? _refine_ls_wR_factor_ref 0.1704 _refine_ls_wR_factor_gt 0.1581 _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_ref 1.434 _refine_ls_shift/su_max 0.0020 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_min -1.22 _refine_diff_density_max 1.52 #------------------------------------------------------------------------------ _geom_special_details ; ? ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag(1) O(1) 2.46(2) 1_555 1_555 yes Ag(1) O(2) 2.80(2) 1_555 2_455 yes Ag(1) O(2) 2.80(2) 1_555 8_455 yes Ag(1) C(1) 2.599(7) 1_555 1_555 yes Ag(1) C(1) 2.599(7) 1_555 7_555 yes Ag(1) C(2) 2.507(7) 1_555 1_555 yes Ag(1) C(2) 2.507(7) 1_555 7_555 yes Ag(2) O(1) 2.77(3) 1_555 1_555 yes Ag(2) O(3) 2.72(2) 1_555 1_555 yes Ag(2) O(4) 2.383(9) 1_555 1_555 yes Ag(2) C(8) 2.452(7) 1_555 1_555 yes Ag(2) C(8) 2.452(7) 1_555 7_555 yes Ag(2) C(9) 2.536(7) 1_555 1_555 yes Ag(2) C(9) 2.536(7) 1_555 7_555 yes Cl(1) O(1) 1.35(1) 1_555 1_555 yes Cl(1) O(2) 1.27(1) 1_555 1_555 yes Cl(1) O(2) 1.27(1) 1_555 7_555 yes Cl(1) O(3) 1.20(2) 1_555 1_555 yes Cl(2) O(4) 1.429(9) 1_555 1_555 yes Cl(2) O(5) 1.24(1) 1_555 1_555 yes Cl(2) O(6) 1.28(1) 1_555 1_555 yes Cl(2) O(6) 1.28(1) 1_555 7_555 yes C(1) C(2) 1.39(1) 1_555 1_555 yes C(1) C(10) 1.396(10) 1_555 1_555 yes C(2) C(3) 1.39(1) 1_555 1_555 yes C(3) C(4) 1.38(1) 1_555 1_555 yes C(4) C(5) 1.436(9) 1_555 1_555 yes C(5) C(6) 1.450(8) 1_555 1_555 yes C(5) C(10) 1.396(10) 1_555 1_555 yes C(6) C(7) 1.423(9) 1_555 1_555 yes C(6) C(11) 1.406(9) 1_555 1_555 yes C(7) C(8) 1.463(9) 1_555 1_555 yes C(7) C(11) 1.386(9) 1_555 5_856 yes C(8) C(9) 1.350(9) 1_555 1_555 yes C(9) C(10) 1.45(1) 1_555 1_555 yes #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O(1) Ag(1) O(2) 104.6(6) 1_555 1_555 2_455 yes O(1) Ag(1) O(2) 104.6(6) 1_555 1_555 8_455 yes O(1) Ag(1) C(1) 92.2(4) 1_555 1_555 1_555 yes O(1) Ag(1) C(1) 92.2(4) 1_555 1_555 7_555 yes O(1) Ag(1) C(2) 109.6(2) 1_555 1_555 1_555 yes O(1) Ag(1) C(2) 109.6(2) 1_555 1_555 7_555 yes O(2) Ag(1) O(2) 41.1(6) 2_455 1_555 8_455 yes O(2) Ag(1) C(1) 109.9(4) 2_455 1_555 1_555 yes O(2) Ag(1) C(1) 149.1(3) 2_455 1_555 7_555 yes O(2) Ag(1) C(2) 80.0(4) 2_455 1_555 1_555 yes O(2) Ag(1) C(2) 117.6(3) 2_455 1_555 7_555 yes O(2) Ag(1) C(1) 149.1(3) 8_455 1_555 1_555 yes O(2) Ag(1) C(1) 109.9(4) 8_455 1_555 7_555 yes O(2) Ag(1) C(2) 117.6(3) 8_455 1_555 1_555 yes O(2) Ag(1) C(2) 80.0(4) 8_455 1_555 7_555 yes C(1) Ag(1) C(1) 95.0(4) 1_555 1_555 7_555 yes C(1) Ag(1) C(2) 31.5(3) 1_555 1_555 1_555 yes C(1) Ag(1) C(2) 118.9(3) 1_555 1_555 7_555 yes C(1) Ag(1) C(2) 118.9(3) 7_555 1_555 1_555 yes C(1) Ag(1) C(2) 31.5(3) 7_555 1_555 7_555 yes C(2) Ag(1) C(2) 130.1(4) 1_555 1_555 7_555 yes O(1) Ag(2) O(3) 39.6(6) 1_555 1_555 1_555 yes O(1) Ag(2) O(4) 108.6(4) 1_555 1_555 1_555 yes O(1) Ag(2) C(8) 102.0(2) 1_555 1_555 1_555 yes O(1) Ag(2) C(8) 102.0(2) 1_555 1_555 7_555 yes O(1) Ag(2) C(9) 87.3(2) 1_555 1_555 1_555 yes O(1) Ag(2) C(9) 87.3(2) 1_555 1_555 7_555 yes O(3) Ag(2) O(4) 69.0(6) 1_555 1_555 1_555 yes O(3) Ag(2) C(8) 106.1(2) 1_555 1_555 1_555 yes O(3) Ag(2) C(8) 106.1(2) 1_555 1_555 7_555 yes O(3) Ag(2) C(9) 111.2(4) 1_555 1_555 1_555 yes O(3) Ag(2) C(9) 111.2(4) 1_555 1_555 7_555 yes O(4) Ag(2) C(8) 96.2(2) 1_555 1_555 1_555 yes O(4) Ag(2) C(8) 96.2(2) 1_555 1_555 7_555 yes O(4) Ag(2) C(9) 127.4(2) 1_555 1_555 1_555 yes O(4) Ag(2) C(9) 127.4(2) 1_555 1_555 7_555 yes C(8) Ag(2) C(8) 147.8(3) 1_555 1_555 7_555 yes C(8) Ag(2) C(9) 31.3(2) 1_555 1_555 1_555 yes C(8) Ag(2) C(9) 130.0(2) 1_555 1_555 7_555 yes C(8) Ag(2) C(9) 130.0(2) 7_555 1_555 1_555 yes C(8) Ag(2) C(9) 31.3(2) 7_555 1_555 7_555 yes C(9) Ag(2) C(9) 102.4(3) 1_555 1_555 7_555 yes O(1) Cl(1) O(2) 123(1) 1_555 1_555 1_555 yes O(1) Cl(1) O(2) 123(1) 1_555 1_555 7_555 yes O(1) Cl(1) O(3) 93(1) 1_555 1_555 1_555 yes O(2) Cl(1) O(2) 101(2) 1_555 1_555 7_555 yes O(2) Cl(1) O(3) 105(1) 1_555 1_555 1_555 yes O(2) Cl(1) O(3) 105(1) 7_555 1_555 1_555 yes O(4) Cl(2) O(5) 103(1) 1_555 1_555 1_555 yes O(4) Cl(2) O(6) 112.6(6) 1_555 1_555 1_555 yes O(4) Cl(2) O(6) 112.6(6) 1_555 1_555 7_555 yes O(5) Cl(2) O(6) 108(1) 1_555 1_555 1_555 yes O(5) Cl(2) O(6) 108(1) 1_555 1_555 7_555 yes O(6) Cl(2) O(6) 109(1) 1_555 1_555 7_555 yes Ag(1) O(1) Ag(2) 112.4(7) 1_555 1_555 1_555 yes Ag(1) O(1) Cl(1) 138(1) 1_555 1_555 1_555 yes Ag(2) O(1) Cl(1) 108(1) 1_555 1_555 1_555 yes Ag(1) O(2) Cl(1) 103(1) 2_555 1_555 1_555 yes Ag(2) O(3) Cl(1) 118(1) 1_555 1_555 1_555 yes Ag(2) O(4) Cl(2) 123.5(6) 1_555 1_555 1_555 yes Ag(1) C(1) C(2) 70.6(4) 1_555 1_555 1_555 yes Ag(1) C(1) C(10) 104.4(4) 1_555 1_555 1_555 yes Ag(1) C(1) H(1) 88.5(4) 1_555 1_555 1_555 no C(2) C(1) C(10) 120.5(7) 1_555 1_555 1_555 yes C(2) C(1) H(1) 121.1(7) 1_555 1_555 1_555 no C(10) C(1) H(1) 117.8(7) 1_555 1_555 1_555 no Ag(1) C(2) C(1) 77.9(4) 1_555 1_555 1_555 yes Ag(1) C(2) C(3) 101.4(5) 1_555 1_555 1_555 yes Ag(1) C(2) H(2) 95.9(4) 1_555 1_555 1_555 no C(1) C(2) C(3) 119.9(7) 1_555 1_555 1_555 yes C(1) C(2) H(2) 115.7(8) 1_555 1_555 1_555 no C(3) C(2) H(2) 124.0(8) 1_555 1_555 1_555 no C(2) C(3) C(4) 120.8(8) 1_555 1_555 1_555 yes C(2) C(3) H(3) 127.6(7) 1_555 1_555 1_555 no C(4) C(3) H(3) 111.3(8) 1_555 1_555 1_555 no C(3) C(4) C(5) 120.0(7) 1_555 1_555 1_555 yes C(3) C(4) H(4) 113.2(7) 1_555 1_555 1_555 no C(5) C(4) H(4) 126.0(7) 1_555 1_555 1_555 no C(4) C(5) C(6) 121.1(6) 1_555 1_555 1_555 yes C(4) C(5) C(10) 118.2(6) 1_555 1_555 1_555 yes C(6) C(5) C(10) 120.7(6) 1_555 1_555 1_555 yes C(5) C(6) C(7) 119.8(6) 1_555 1_555 1_555 yes C(5) C(6) C(11) 122.7(6) 1_555 1_555 1_555 yes C(7) C(6) C(11) 117.5(6) 1_555 1_555 1_555 yes C(6) C(7) C(8) 118.0(6) 1_555 1_555 1_555 yes C(6) C(7) C(11) 121.7(6) 1_555 1_555 5_856 yes C(8) C(7) C(11) 120.3(6) 1_555 1_555 5_856 yes Ag(2) C(8) C(7) 109.2(4) 1_555 1_555 1_555 yes Ag(2) C(8) C(9) 77.8(4) 1_555 1_555 1_555 yes Ag(2) C(8) H(5) 83.7(4) 1_555 1_555 1_555 no C(7) C(8) C(9) 120.8(7) 1_555 1_555 1_555 yes C(7) C(8) H(5) 119.8(7) 1_555 1_555 1_555 no C(9) C(8) H(5) 119.4(7) 1_555 1_555 1_555 no Ag(2) C(9) C(8) 70.9(4) 1_555 1_555 1_555 yes Ag(2) C(9) C(10) 110.9(4) 1_555 1_555 1_555 yes Ag(2) C(9) H(6) 105.0(5) 1_555 1_555 1_555 no C(8) C(9) C(10) 122.3(7) 1_555 1_555 1_555 yes C(8) C(9) H(6) 127.4(7) 1_555 1_555 1_555 no C(10) C(9) H(6) 108.3(6) 1_555 1_555 1_555 no C(1) C(10) C(5) 120.6(7) 1_555 1_555 1_555 yes C(1) C(10) C(9) 121.0(7) 1_555 1_555 1_555 yes C(5) C(10) C(9) 118.3(6) 1_555 1_555 1_555 yes C(6) C(11) C(7) 120.8(6) 1_555 1_555 5_856 yes C(6) C(11) H(7) 128.4(7) 1_555 1_555 1_555 no C(7) C(11) H(7) 110.3(6) 5_856 1_555 1_555 no #------------------------------------------------------------------------------ loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag Ag(1) O(2) 2.80(2) 1_555 2_455 ? Ag(1) O(2) 2.80(2) 1_555 8_455 ? Ag(1) C(1) 2.599(7) 1_555 1_555 ? Ag(1) C(1) 2.599(7) 1_555 7_555 ? Ag(1) C(2) 2.507(7) 1_555 1_555 ? Ag(1) C(2) 2.507(7) 1_555 7_555 ? Ag(2) O(1) 2.77(3) 1_555 1_555 ? Ag(2) O(3) 2.72(2) 1_555 1_555 ? Ag(2) C(9) 2.536(7) 1_555 1_555 ? Ag(2) C(9) 2.536(7) 1_555 7_555 ? O(2) C(3) 3.04(2) 1_555 2_555 ? O(2) C(2) 3.42(2) 1_555 2_555 ? O(5) O(6) 3.43(3) 1_555 2_556 ? O(5) O(6) 3.43(3) 1_555 8_556 ? O(5) C(9) 3.48(2) 1_555 1_655 ? O(5) C(9) 3.48(2) 1_555 7_655 ? O(6) C(8) 3.27(1) 1_555 8_556 ? O(6) C(9) 3.34(1) 1_555 8_556 ? C(1) C(5) 3.457(9) 1_555 5_756 ? C(3) C(9) 3.46(1) 1_555 5_756 ? C(4) C(9) 3.570(10) 1_555 5_756 ? C(5) C(10) 3.598(8) 1_555 5_756 ? Ag(1) C(2) 2.507(7) 1_555 1_555 ? Ag(1) C(2) 2.507(7) 1_555 7_555 ? Ag(1) C(1) 2.599(7) 1_555 1_555 ? Ag(1) C(1) 2.599(7) 1_555 7_555 ? Ag(1) O(2) 2.80(2) 1_555 2_455 ? Ag(1) O(2) 2.80(2) 1_555 8_455 ? Ag(2) C(9) 2.536(7) 1_555 1_555 ? Ag(2) C(9) 2.536(7) 1_555 7_555 ? Ag(2) O(3) 2.72(2) 1_555 1_555 ? Ag(2) O(1) 2.77(3) 1_555 1_555 ? #------------------------------------------------------------------------------ _publ_contact_author_name ' ENTER NAME' _publ_contact_author_address ; ENTER ADDRESS ; _publ_contact_author_email ' ENTER EMAIL ADDRESS ' _publ_contact_author_fax ' ENTER FAX NUMBER ' _publ_contact_author_phone ' ENTER PHONE NUMBER ' _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_journal ' ENTER JOURNAL NAME HERE' _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_requested_coeditor_name ? _publ_section_title ; ENTER SECTION TITLE ; _publ_section_title_footnote ; ENTER FOOTNOTE TO TITLE OF PAPER ; loop_ _publ_section_synopsis ; ENTER SYNOPSIS ; _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_comment ; ENTER TEXT ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_experimental ; ENTER EXPERIMENTAL SECTION ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation, Rigaku Corporation. (1998). teXsan. Single Crystal Structure Analysis Software. Version 1.9. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Rigaku, 3-9-12 Akishima, Tokyo, Japan. North, A.C.T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359. ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; _publ_section_exptl_prep ; ENTER COMPOUND PREPARATION DETAILS ; _publ_section_exptl_refinement ; ENTER SPECIAL DETAILS OF THE REFINEMENT ; #===END data_[Ag2(L3)(ClO4)2(H2O)](3) #------------------------------------------------------------------------------ _audit_creation_date 'Tue Apr 6 19:57:33 1999' _audit_creation_method 'from TEXRAY.INF file' _audit_update_record ? #------------------------------------------------------------------------------ _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan' _computing_structure_solution SIR88 _computing_structure_refinement 'teXsan' _computing_publication_material 'teXsan' _computing_molecular_graphics ? #------------------------------------------------------------------------------ _chemical_compound_source ? _chemical_name_common ? _chemical_formula_weight 660.95 _chemical_formula_analytical ? _chemical_formula_sum 'C18 H14 Ag2 Cl2 O9 ' _chemical_formula_moiety '?' _chemical_formula_structural ? _chemical_melting_point ? #------------------------------------------------------------------------------ _cell_length_a 5.2504(7) _cell_length_b 12.452(2) _cell_length_c 15.330(3) _cell_angle_alpha 99.512(5) _cell_angle_beta 93.871(2) _cell_angle_gamma 91.025(3) _cell_volume 985.8(2) _cell_formula_units_Z 2 _cell_measurement_temperature 273.2 _cell_measurement_reflns_used 0 _cell_measurement_theta_min 0.0 _cell_measurement_theta_max 0.0 #------------------------------------------------------------------------------ _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1 ' _symmetry_Int_Tables_number 2 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z #------------------------------------------------------------------------------ _exptl_crystal_description 'unknown' _exptl_crystal_colour 'unknown' _exptl_crystal_size_max 0.000 _exptl_crystal_size_mid 0.000 _exptl_crystal_size_min 0.000 _exptl_crystal_density_diffrn 2.227 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 644.00 _exptl_absorpt_coefficient_mu 2.304 _exptl_absorpt_correction_type none _exptl_special_details ; ? ; #------------------------------------------------------------------------------ _diffrn_special_details ; ? ; _diffrn_ambient_temperature 273.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'Rigaku sealed tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device_type 'Rigaku unknown' _diffrn_measurement_method ? _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_decay_% 0.00 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_reflns_number 4112 _reflns_number_total 4112 _reflns_number_gt 2933 _reflns_observed_expression >2.0sigma(I) _diffrn_reflns_av_R_equivalents 0.000 _diffrn_reflns_av_sigmaI/netI 0.023 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 6 _diffrn_reflns_limit_k_min -16 _diffrn_reflns_limit_k_max 16 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 0.00 _diffrn_reflns_theta_max 27.5 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 0.00000 _diffrn_orient_matrix_UB_12 0.00000 _diffrn_orient_matrix_UB_13 0.00000 _diffrn_orient_matrix_UB_21 0.00000 _diffrn_orient_matrix_UB_22 0.00000 _diffrn_orient_matrix_UB_23 0.00000 _diffrn_orient_matrix_UB_31 0.00000 _diffrn_orient_matrix_UB_32 0.00000 _diffrn_orient_matrix_UB_33 0.00000 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_imag _atom_type_scat_source 'AgAg' -0.897 1.101 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'ClCl' 0.148 0.159 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'O' 'O' 0.011 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'C' 'C' 0.003 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'H' 'H' 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; #------------------------------------------------------------------------------ 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_calc_flags _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag(1) Ag -0.8345(2) -0.78397(5) 0.63635(5) 0.0894(3) Uani 1.00 d . . . Ag(2) Ag -0.0398(1) -0.02542(6) 0.76245(6) 0.0951(3) Uani 1.00 d . . . Cl(1) Cl -0.4801(3) 0.1674(1) 0.81089(10) 0.0502(4) Uani 1.00 d . . . Cl(2) Cl 0.5130(3) 0.1649(1) 0.4455(1) 0.0622(5) Uani 1.00 d . . . O(1) O -0.3617(9) 0.0730(4) 0.8380(4) 0.071(2) Uani 1.00 d . . . O(2) O -0.7490(8) 0.1585(5) 0.8190(4) 0.076(2) Uani 1.00 d . . . O(3) O -0.374(1) 0.2624(4) 0.8644(4) 0.081(2) Uani 1.00 d . . . O(4) O -0.437(1) 0.1692(4) 0.7197(3) 0.072(2) Uani 1.00 d . . . O(5) O 0.315(3) 0.138(1) 0.4885(9) 0.239(6) Uani 1.00 d . . . O(6) O 0.557(3) 0.2694(7) 0.4415(6) 0.180(5) Uani 1.00 d . . . O(7) O 0.695(4) 0.1365(10) 0.499(1) 0.323(9) Uani 1.00 d . . . O(8) O 0.493(1) 0.0961(6) 0.3630(5) 0.109(2) Uani 1.00 d . . . O(9) O 0.004(1) 0.0383(4) 0.6280(4) 0.080(2) Uani 1.00 d . . . C(1) C -0.666(1) -0.5027(6) 0.6358(5) 0.067(2) Uani 1.00 d . . . C(2) C -0.849(2) -0.5695(6) 0.5851(6) 0.078(2) Uani 1.00 d . . . C(3) C -1.033(2) -0.6202(6) 0.6240(8) 0.089(3) Uani 1.00 d . . . C(4) C -1.026(1) -0.6075(6) 0.7164(7) 0.078(3) Uani 1.00 d . . . C(5) C -0.842(1) -0.5401(5) 0.7680(5) 0.059(2) Uani 1.00 d . . . C(6) C -0.846(1) -0.5250(6) 0.8635(6) 0.074(2) Uani 1.00 d . . . C(7) C -0.687(1) -0.4503(6) 0.9151(5) 0.066(2) Uani 1.00 d . . . C(8) C -0.498(1) -0.3903(5) 0.8788(4) 0.050(2) Uani 1.00 d . . . C(9) C -0.339(1) -0.3139(6) 0.9331(4) 0.055(2) Uani 1.00 d . . . C(10) C -0.152(1) -0.2534(5) 0.8995(4) 0.047(2) Uani 1.00 d . . . C(11) C 0.015(1) -0.1739(6) 0.9535(5) 0.063(2) Uani 1.00 d . . . C(12) C 0.195(1) -0.1203(6) 0.9204(6) 0.077(2) Uani 1.00 d . . . C(13) C 0.233(1) -0.1434(6) 0.8270(6) 0.071(2) Uani 1.00 d . . . C(14) C 0.071(1) -0.2182(5) 0.7727(4) 0.054(2) Uani 1.00 d . . . C(15) C -0.129(1) -0.2741(5) 0.8071(4) 0.047(1) Uani 1.00 d . . . C(16) C -0.291(1) -0.3493(5) 0.7525(4) 0.051(2) Uani 1.00 d . . . C(17) C -0.478(1) -0.4074(5) 0.7856(4) 0.047(2) Uani 1.00 d . . . C(18) C -0.662(1) -0.4850(5) 0.7297(4) 0.052(2) Uani 1.00 d . . . H(1) H -0.5403 -0.4675 0.6077 0.0803 Uiso 1.00 calc . . . H(2) H -0.8474 -0.5808 0.5222 0.0927 Uiso 1.00 calc . . . H(3) H -1.1647 -0.6634 0.5886 0.1065 Uiso 1.00 calc . . . H(4) H -1.1477 -0.6456 0.7439 0.0926 Uiso 1.00 calc . . . H(5) H -0.9612 -0.5676 0.8901 0.0879 Uiso 1.00 calc . . . H(6) H -0.7013 -0.4373 0.9774 0.0788 Uiso 1.00 calc . . . H(7) H -0.3565 -0.3021 0.9953 0.0660 Uiso 1.00 calc . . . H(8) H -0.0028 -0.1589 1.0156 0.0756 Uiso 1.00 calc . . . H(9) H 0.2990 -0.0664 0.9583 0.0916 Uiso 1.00 calc . . . H(10) H 0.3675 -0.1078 0.8033 0.0851 Uiso 1.00 calc . . . H(11) H 0.0926 -0.2328 0.7108 0.0645 Uiso 1.00 calc . . . H(12) H -0.2722 -0.3613 0.6904 0.0609 Uiso 1.00 calc . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag(1) 0.1342(7) 0.0451(4) 0.0887(5) 0.0117(3) 0.0010(4) 0.0130(3) Ag(2) 0.1035(6) 0.0724(5) 0.1270(7) 0.0259(4) 0.0409(4) 0.0529(4) Cl(1) 0.0467(7) 0.0453(8) 0.0554(8) 0.0003(6) 0.0039(6) -0.0006(6) Cl(2) 0.072(1) 0.0587(10) 0.0536(9) -0.0092(8) 0.0026(7) 0.0059(7) O(1) 0.066(3) 0.057(3) 0.093(4) 0.011(2) 0.009(2) 0.020(3) O(2) 0.045(2) 0.083(4) 0.097(4) 0.003(2) 0.010(2) 0.007(3) O(3) 0.093(4) 0.062(3) 0.079(3) -0.020(3) 0.009(3) -0.018(3) O(4) 0.083(3) 0.075(3) 0.058(3) 0.007(3) 0.018(2) 0.002(2) O(5) 0.25(1) 0.22(1) 0.21(1) -0.11(1) 0.16(1) -0.12(1) O(6) 0.33(2) 0.073(5) 0.130(7) -0.040(7) -0.056(8) 0.036(5) O(7) 0.51(3) 0.118(8) 0.30(2) -0.04(1) -0.32(2) 0.044(9) O(8) 0.100(4) 0.117(6) 0.093(5) -0.017(4) 0.014(3) -0.034(4) O(9) 0.101(4) 0.060(3) 0.076(3) -0.021(3) 0.004(3) 0.005(3) C(1) 0.068(4) 0.052(4) 0.081(5) -0.003(3) 0.002(4) 0.011(3) C(2) 0.087(5) 0.051(4) 0.087(5) 0.006(4) -0.020(4) -0.001(4) C(3) 0.071(5) 0.044(4) 0.138(8) 0.006(4) -0.038(5) -0.005(5) C(4) 0.055(4) 0.043(4) 0.133(8) -0.002(3) 0.002(4) 0.010(4) C(5) 0.056(4) 0.036(3) 0.086(5) 0.010(3) 0.003(3) 0.009(3) C(6) 0.072(4) 0.060(4) 0.095(6) 0.005(4) 0.030(4) 0.021(4) C(7) 0.064(4) 0.067(4) 0.072(4) 0.012(3) 0.019(3) 0.021(4) C(8) 0.049(3) 0.046(3) 0.057(4) 0.012(3) 0.013(3) 0.016(3) C(9) 0.062(4) 0.058(4) 0.044(3) 0.010(3) 0.003(3) 0.003(3) C(10) 0.055(3) 0.041(3) 0.047(3) 0.010(2) 0.008(2) 0.008(2) C(11) 0.065(4) 0.058(4) 0.061(4) 0.004(3) -0.007(3) -0.004(3) C(12) 0.064(4) 0.060(4) 0.097(6) -0.005(4) -0.019(4) -0.002(4) C(13) 0.050(3) 0.052(4) 0.117(7) 0.003(3) 0.008(4) 0.030(4) C(14) 0.054(3) 0.047(3) 0.064(4) 0.010(3) 0.014(3) 0.014(3) C(15) 0.048(3) 0.035(3) 0.054(3) 0.007(2) -0.007(2) 0.005(2) C(16) 0.056(3) 0.045(3) 0.054(3) 0.010(3) 0.005(3) 0.010(3) C(17) 0.050(3) 0.046(3) 0.046(3) 0.011(2) 0.005(2) 0.009(2) C(18) 0.051(3) 0.037(3) 0.065(4) 0.008(2) -0.002(3) 0.005(3) #------------------------------------------------------------------------------ _refine_special_details ; Refinement based on 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 calculated 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. thus the refinement was done using all reflections. R-factors based on F^2^ are statistically about twice as large as those based on F, and R-factor 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 'w = 1/[\s^2^(Fo^2^) + 0.00360(Fo^2^)^2^]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method 'Zachariasen(1967) type 2 Gaussian isotropic' _refine_ls_extinction_coef 0.010(5) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 4094 _refine_ls_number_parameters 281 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0982 _refine_ls_R_factor_gt 0.0688 _refine_ls_wR_factor_all ? _refine_ls_wR_factor_ref 0.1967 _refine_ls_wR_factor_gt 0.1795 _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_ref 2.131 _refine_ls_shift/su_max 0.0000 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_min -1.67 _refine_diff_density_max 1.66 #------------------------------------------------------------------------------ _geom_special_details ; ? ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag(1) O(4) 2.503(5) 1_555 1_545 yes Ag(1) O(5) 2.495(9) 1_555 1_445 yes Ag(1) O(9) 2.336(5) 1_555 1_445 yes Ag(1) C(3) 2.337(7) 1_555 1_555 yes Ag(1) C(4) 2.587(8) 1_555 1_555 yes Ag(2) O(1) 2.360(5) 1_555 1_555 yes Ag(2) O(2) 2.714(6) 1_555 1_655 yes Ag(2) O(9) 2.351(6) 1_555 1_555 yes Ag(2) C(13) 2.357(7) 1_555 1_555 yes Ag(2) C(14) 2.507(6) 1_555 1_555 yes Cl(1) O(1) 1.447(5) 1_555 1_555 yes Cl(1) O(2) 1.429(5) 1_555 1_555 yes Cl(1) O(3) 1.405(5) 1_555 1_555 yes Cl(1) O(4) 1.436(5) 1_555 1_555 yes Cl(2) O(5) 1.334(10) 1_555 1_555 yes Cl(2) O(6) 1.330(8) 1_555 1_555 yes Cl(2) O(7) 1.31(1) 1_555 1_555 yes Cl(2) O(8) 1.403(6) 1_555 1_555 yes O(1) O(2) 2.335(7) 1_555 1_555 yes O(1) O(3) 2.328(7) 1_555 1_555 yes O(1) O(4) 2.349(7) 1_555 1_555 yes O(2) O(3) 2.335(7) 1_555 1_555 yes O(2) O(4) 2.328(7) 1_555 1_555 yes O(3) O(4) 2.326(7) 1_555 1_555 yes O(5) O(6) 2.29(2) 1_555 1_555 yes O(5) O(7) 1.99(3) 1_555 1_555 yes O(5) O(8) 2.19(1) 1_555 1_555 yes O(6) O(7) 2.12(1) 1_555 1_555 yes O(6) O(8) 2.30(1) 1_555 1_555 yes O(7) O(8) 2.25(1) 1_555 1_555 yes C(1) C(2) 1.37(1) 1_555 1_555 yes C(1) C(3) 2.38(1) 1_555 1_555 yes C(1) C(4) 2.75(1) 1_555 1_555 yes C(1) C(5) 2.39(1) 1_555 1_555 yes C(1) C(17) 2.531(10) 1_555 1_555 yes C(1) C(18) 1.42(1) 1_555 1_555 yes C(2) C(3) 1.37(1) 1_555 1_555 yes C(2) C(4) 2.38(1) 1_555 1_555 yes C(2) C(5) 2.76(1) 1_555 1_555 yes C(2) C(18) 2.426(10) 1_555 1_555 yes C(3) C(4) 1.40(1) 1_555 1_555 yes C(3) C(5) 2.41(1) 1_555 1_555 yes C(3) C(18) 2.796(10) 1_555 1_555 yes C(4) C(5) 1.38(1) 1_555 1_555 yes C(4) C(6) 2.44(1) 1_555 1_555 yes C(4) C(18) 2.400(10) 1_555 1_555 yes C(5) C(6) 1.45(1) 1_555 1_555 yes C(5) C(7) 2.43(1) 1_555 1_555 yes C(5) C(17) 2.474(9) 1_555 1_555 yes C(5) C(18) 1.377(10) 1_555 1_555 yes C(6) C(7) 1.35(1) 1_555 1_555 yes C(6) C(8) 2.43(1) 1_555 1_555 yes C(6) C(18) 2.45(1) 1_555 1_555 yes C(7) C(8) 1.426(10) 1_555 1_555 yes C(7) C(9) 2.44(1) 1_555 1_555 yes C(7) C(17) 2.459(9) 1_555 1_555 yes C(8) C(9) 1.384(9) 1_555 1_555 yes C(8) C(10) 2.437(9) 1_555 1_555 yes C(8) C(15) 2.790(9) 1_555 1_555 yes C(8) C(16) 2.407(9) 1_555 1_555 yes C(8) C(17) 1.420(8) 1_555 1_555 yes C(8) C(18) 2.481(9) 1_555 1_555 yes C(9) C(10) 1.400(10) 1_555 1_555 yes C(9) C(11) 2.49(1) 1_555 1_555 yes C(9) C(15) 2.404(9) 1_555 1_555 yes C(9) C(16) 2.761(9) 1_555 1_555 yes C(9) C(17) 2.425(8) 1_555 1_555 yes C(10) C(11) 1.429(9) 1_555 1_555 yes C(10) C(12) 2.41(1) 1_555 1_555 yes C(10) C(14) 2.433(9) 1_555 1_555 yes C(10) C(15) 1.412(8) 1_555 1_555 yes C(10) C(16) 2.427(8) 1_555 1_555 yes C(11) C(12) 1.32(1) 1_555 1_555 yes C(11) C(13) 2.40(1) 1_555 1_555 yes C(11) C(14) 2.771(10) 1_555 1_555 yes C(11) C(15) 2.445(9) 1_555 1_555 yes C(12) C(13) 1.44(1) 1_555 1_555 yes C(12) C(14) 2.43(1) 1_555 1_555 yes C(13) C(14) 1.38(1) 1_555 1_555 yes C(13) C(15) 2.450(9) 1_555 1_555 yes C(14) C(15) 1.425(9) 1_555 1_555 yes C(14) C(16) 2.450(9) 1_555 1_555 yes C(15) C(16) 1.385(8) 1_555 1_555 yes C(15) C(17) 2.422(9) 1_555 1_555 yes C(16) C(17) 1.386(9) 1_555 1_555 yes C(16) C(18) 2.524(9) 1_555 1_555 yes C(17) C(18) 1.475(8) 1_555 1_555 yes #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O(4) Ag(1) O(5) 93.8(4) 1_545 1_555 1_445 yes O(4) Ag(1) O(9) 90.2(2) 1_545 1_555 1_445 yes O(4) Ag(1) C(3) 133.5(2) 1_545 1_555 1_555 yes O(4) Ag(1) C(4) 111.1(2) 1_545 1_555 1_555 yes O(4) Ag(1) H(3) 156.1(1) 1_545 1_555 1_555 no O(5) Ag(1) O(9) 82.0(3) 1_445 1_555 1_445 yes O(5) Ag(1) C(3) 108.2(5) 1_445 1_555 1_555 yes O(5) Ag(1) C(4) 139.9(5) 1_445 1_555 1_555 yes O(5) Ag(1) H(3) 99.1(4) 1_445 1_555 1_555 no O(9) Ag(1) C(3) 132.2(3) 1_445 1_555 1_555 yes O(9) Ag(1) C(4) 126.8(2) 1_445 1_555 1_555 yes O(9) Ag(1) H(3) 111.4(2) 1_445 1_555 1_555 no C(3) Ag(1) C(4) 32.4(3) 1_555 1_555 1_555 yes C(3) Ag(1) H(3) 22.6(2) 1_555 1_555 1_555 no C(4) Ag(1) H(3) 47.7(2) 1_555 1_555 1_555 no O(1) Ag(2) O(2) 84.3(2) 1_555 1_555 1_655 yes O(1) Ag(2) O(9) 108.7(2) 1_555 1_555 1_555 yes O(1) Ag(2) C(13) 123.5(2) 1_555 1_555 1_555 yes O(1) Ag(2) C(14) 125.4(2) 1_555 1_555 1_555 yes O(1) Ag(2) H(10) 136.7(1) 1_555 1_555 1_555 no O(1) Ag(2) H(11) 139.7(1) 1_555 1_555 1_555 no O(2) Ag(2) O(9) 79.0(2) 1_655 1_555 1_555 yes O(2) Ag(2) C(13) 96.1(2) 1_655 1_555 1_555 yes O(2) Ag(2) C(14) 128.1(2) 1_655 1_555 1_555 yes O(2) Ag(2) H(10) 80.4(1) 1_655 1_555 1_555 no O(2) Ag(2) H(11) 130.9(1) 1_655 1_555 1_555 no O(9) Ag(2) C(13) 126.9(3) 1_555 1_555 1_555 yes O(9) Ag(2) C(14) 118.9(2) 1_555 1_555 1_555 yes O(9) Ag(2) H(10) 107.8(2) 1_555 1_555 1_555 no O(9) Ag(2) H(11) 98.4(1) 1_555 1_555 1_555 no C(13) Ag(2) C(14) 32.8(2) 1_555 1_555 1_555 yes C(13) Ag(2) H(10) 22.5(2) 1_555 1_555 1_555 no C(13) Ag(2) H(11) 46.7(2) 1_555 1_555 1_555 no C(14) Ag(2) H(10) 48.2(1) 1_555 1_555 1_555 no C(14) Ag(2) H(11) 20.7(2) 1_555 1_555 1_555 no H(10) Ag(2) H(11) 53.41(1) 1_555 1_555 1_555 no O(1) Cl(1) O(2) 108.5(3) 1_555 1_555 1_555 yes O(1) Cl(1) O(3) 109.4(3) 1_555 1_555 1_555 yes O(1) Cl(1) O(4) 109.2(3) 1_555 1_555 1_555 yes O(2) Cl(1) O(3) 110.9(3) 1_555 1_555 1_555 yes O(2) Cl(1) O(4) 108.7(3) 1_555 1_555 1_555 yes O(3) Cl(1) O(4) 110.0(4) 1_555 1_555 1_555 yes O(5) Cl(2) O(6) 118.3(9) 1_555 1_555 1_555 yes O(5) Cl(2) O(7) 98(1) 1_555 1_555 1_555 yes O(5) Cl(2) O(8) 106.1(6) 1_555 1_555 1_555 yes O(6) Cl(2) O(7) 106.7(8) 1_555 1_555 1_555 yes O(6) Cl(2) O(8) 114.5(6) 1_555 1_555 1_555 yes O(7) Cl(2) O(8) 112.0(9) 1_555 1_555 1_555 yes Ag(2) O(1) Cl(1) 124.2(3) 1_555 1_555 1_555 yes Ag(2) O(1) O(2) 144.0(3) 1_555 1_555 1_555 yes Ag(2) O(1) O(3) 123.9(3) 1_555 1_555 1_555 yes Ag(2) O(1) O(4) 90.4(2) 1_555 1_555 1_555 yes Ag(2) O(1) H(10) 86.1(2) 1_555 1_555 1_455 no Cl(1) O(1) O(2) 35.5(2) 1_555 1_555 1_555 yes Cl(1) O(1) O(3) 34.7(2) 1_555 1_555 1_555 yes Cl(1) O(1) O(4) 35.3(2) 1_555 1_555 1_555 yes Cl(1) O(1) H(10) 116.0(3) 1_555 1_555 1_455 no O(2) O(1) O(3) 60.1(2) 1_555 1_555 1_555 yes O(2) O(1) O(4) 59.6(2) 1_555 1_555 1_555 yes O(2) O(1) H(10) 85.5(2) 1_555 1_555 1_455 no O(3) O(1) O(4) 59.7(2) 1_555 1_555 1_555 yes O(3) O(1) H(10) 145.3(2) 1_555 1_555 1_455 no O(4) O(1) H(10) 108.3(2) 1_555 1_555 1_455 no Ag(2) O(2) Cl(1) 124.6(3) 1_455 1_555 1_555 yes Ag(2) O(2) O(1) 96.9(2) 1_455 1_555 1_555 yes Ag(2) O(2) O(3) 156.6(3) 1_455 1_555 1_555 yes Ag(2) O(2) O(4) 108.8(2) 1_455 1_555 1_555 yes Cl(1) O(2) O(1) 36.0(2) 1_555 1_555 1_555 yes Cl(1) O(2) O(3) 34.2(2) 1_555 1_555 1_555 yes Cl(1) O(2) O(4) 35.7(2) 1_555 1_555 1_555 yes O(1) O(2) O(3) 59.8(2) 1_555 1_555 1_555 yes O(1) O(2) O(4) 60.5(2) 1_555 1_555 1_555 yes O(3) O(2) O(4) 59.9(2) 1_555 1_555 1_555 yes Cl(1) O(3) O(1) 35.9(2) 1_555 1_555 1_555 yes Cl(1) O(3) O(2) 34.9(2) 1_555 1_555 1_555 yes Cl(1) O(3) O(4) 35.4(2) 1_555 1_555 1_555 yes Cl(1) O(3) H(4) 100.3(3) 1_555 1_555 1_665 no Cl(1) O(3) H(7) 107.3(3) 1_555 1_555 2_457 no O(1) O(3) O(2) 60.1(2) 1_555 1_555 1_555 yes O(1) O(3) O(4) 60.6(2) 1_555 1_555 1_555 yes O(1) O(3) H(4) 113.1(2) 1_555 1_555 1_665 no O(1) O(3) H(7) 102.9(3) 1_555 1_555 2_457 no O(2) O(3) O(4) 59.9(2) 1_555 1_555 1_555 yes O(2) O(3) H(4) 118.0(3) 1_555 1_555 1_665 no O(2) O(3) H(7) 77.2(2) 1_555 1_555 2_457 no O(4) O(3) H(4) 65.0(2) 1_555 1_555 1_665 no O(4) O(3) H(7) 137.0(3) 1_555 1_555 2_457 no H(4) O(3) H(7) 143.9(2) 1_665 1_555 2_457 no Ag(1) O(4) Cl(1) 110.9(3) 1_565 1_555 1_555 yes Ag(1) O(4) O(1) 133.2(3) 1_565 1_555 1_555 yes Ag(1) O(4) O(2) 77.0(2) 1_565 1_555 1_555 yes Ag(1) O(4) O(3) 114.6(2) 1_565 1_555 1_555 yes Ag(1) O(4) H(4) 103.7(2) 1_565 1_555 1_665 no Cl(1) O(4) O(1) 35.6(2) 1_555 1_555 1_555 yes Cl(1) O(4) O(2) 35.5(2) 1_555 1_555 1_555 yes Cl(1) O(4) O(3) 34.6(2) 1_555 1_555 1_555 yes Cl(1) O(4) H(4) 98.0(2) 1_555 1_555 1_665 no O(1) O(4) O(2) 59.9(2) 1_555 1_555 1_555 yes O(1) O(4) O(3) 59.7(2) 1_555 1_555 1_555 yes O(1) O(4) H(4) 111.2(2) 1_555 1_555 1_665 no O(2) O(4) O(3) 60.2(2) 1_555 1_555 1_555 yes O(2) O(4) H(4) 117.0(2) 1_555 1_555 1_665 no O(3) O(4) H(4) 63.5(2) 1_555 1_555 1_665 no Ag(1) O(5) Cl(2) 131.8(7) 1_665 1_555 1_555 yes Ag(1) O(5) O(6) 108.2(5) 1_665 1_555 1_555 yes Ag(1) O(5) O(7) 108.5(8) 1_665 1_555 1_555 yes Ag(1) O(5) O(8) 169.6(5) 1_665 1_555 1_555 yes Cl(2) O(5) O(6) 30.8(5) 1_555 1_555 1_555 yes Cl(2) O(5) O(7) 40.5(6) 1_555 1_555 1_555 yes Cl(2) O(5) O(8) 38.0(3) 1_555 1_555 1_555 yes O(6) O(5) O(7) 58.8(6) 1_555 1_555 1_555 yes O(6) O(5) O(8) 61.8(4) 1_555 1_555 1_555 yes O(7) O(5) O(8) 64.8(6) 1_555 1_555 1_555 yes Cl(2) O(6) O(5) 30.9(5) 1_555 1_555 1_555 yes Cl(2) O(6) O(7) 36.3(4) 1_555 1_555 1_555 yes Cl(2) O(6) O(8) 33.7(3) 1_555 1_555 1_555 yes Cl(2) O(6) H(1) 162.9(6) 1_555 1_555 2_556 no Cl(2) O(6) H(3) 102.4(5) 1_555 1_555 1_765 no O(5) O(6) O(7) 53.7(8) 1_555 1_555 1_555 yes O(5) O(6) O(8) 57.0(3) 1_555 1_555 1_555 yes O(5) O(6) H(1) 143.5(8) 1_555 1_555 2_556 no O(5) O(6) H(3) 98.7(5) 1_555 1_555 1_765 no O(7) O(6) O(8) 61.1(4) 1_555 1_555 1_555 yes O(7) O(6) H(1) 160.1(7) 1_555 1_555 2_556 no O(7) O(6) H(3) 68.9(4) 1_555 1_555 1_765 no O(8) O(6) H(1) 132.4(4) 1_555 1_555 2_556 no O(8) O(6) H(3) 129.4(5) 1_555 1_555 1_765 no H(1) O(6) H(3) 94.5(3) 2_556 1_555 1_765 no Cl(2) O(7) O(5) 41.5(8) 1_555 1_555 1_555 yes Cl(2) O(7) O(6) 37.0(4) 1_555 1_555 1_555 yes Cl(2) O(7) O(8) 35.3(4) 1_555 1_555 1_555 yes Cl(2) O(7) H(3) 98.5(7) 1_555 1_555 1_765 no O(5) O(7) O(6) 67.6(8) 1_555 1_555 1_555 yes O(5) O(7) O(8) 61.7(5) 1_555 1_555 1_555 yes O(5) O(7) H(3) 103.8(9) 1_555 1_555 1_765 no O(6) O(7) O(8) 63.5(4) 1_555 1_555 1_555 yes O(6) O(7) H(3) 64.2(4) 1_555 1_555 1_765 no O(8) O(7) H(3) 127.2(6) 1_555 1_555 1_765 no Cl(2) O(8) O(5) 35.9(4) 1_555 1_555 1_555 yes Cl(2) O(8) O(6) 31.8(3) 1_555 1_555 1_555 yes Cl(2) O(8) O(7) 32.6(5) 1_555 1_555 1_555 yes Cl(2) O(8) H(10) 136.0(5) 1_555 1_555 2_656 no O(5) O(8) O(6) 61.3(5) 1_555 1_555 1_555 yes O(5) O(8) O(7) 53.4(8) 1_555 1_555 1_555 yes O(5) O(8) H(10) 159.9(6) 1_555 1_555 2_656 no O(6) O(8) O(7) 55.5(4) 1_555 1_555 1_555 yes O(6) O(8) H(10) 105.3(4) 1_555 1_555 2_656 no O(7) O(8) H(10) 133.6(7) 1_555 1_555 2_656 no Ag(1) O(9) Ag(2) 117.3(2) 1_665 1_555 1_555 yes C(2) C(1) C(3) 29.7(5) 1_555 1_555 1_555 yes C(2) C(1) C(4) 60.2(5) 1_555 1_555 1_555 yes C(2) C(1) C(5) 90.3(6) 1_555 1_555 1_555 yes C(2) C(1) C(17) 150.4(7) 1_555 1_555 1_555 yes C(2) C(1) C(18) 120.9(8) 1_555 1_555 1_555 yes C(2) C(1) H(1) 119.5(8) 1_555 1_555 1_555 no C(2) C(1) H(2) 24.2(5) 1_555 1_555 1_555 no C(2) C(1) H(12) 163.9(7) 1_555 1_555 1_555 no C(3) C(1) C(4) 30.5(3) 1_555 1_555 1_555 yes C(3) C(1) C(5) 60.7(4) 1_555 1_555 1_555 yes C(3) C(1) C(17) 120.8(5) 1_555 1_555 1_555 yes C(3) C(1) C(18) 91.3(5) 1_555 1_555 1_555 yes C(3) C(1) H(1) 149.2(7) 1_555 1_555 1_555 no C(3) C(1) H(2) 53.9(3) 1_555 1_555 1_555 no C(3) C(1) H(12) 166.3(5) 1_555 1_555 1_555 no C(4) C(1) C(5) 30.2(3) 1_555 1_555 1_555 yes C(4) C(1) C(17) 90.4(3) 1_555 1_555 1_555 yes C(4) C(1) C(18) 60.8(4) 1_555 1_555 1_555 yes C(4) C(1) H(1) 179.0(6) 1_555 1_555 1_555 no C(4) C(1) H(2) 84.4(3) 1_555 1_555 1_555 no C(4) C(1) H(12) 135.9(4) 1_555 1_555 1_555 no C(5) C(1) C(17) 60.2(3) 1_555 1_555 1_555 yes C(5) C(1) C(18) 30.6(3) 1_555 1_555 1_555 yes C(5) C(1) H(1) 150.1(6) 1_555 1_555 1_555 no C(5) C(1) H(2) 114.5(4) 1_555 1_555 1_555 no C(5) C(1) H(12) 105.8(3) 1_555 1_555 1_555 no C(17) C(1) C(18) 29.6(3) 1_555 1_555 1_555 yes C(17) C(1) H(1) 89.9(5) 1_555 1_555 1_555 no C(17) C(1) H(2) 174.3(4) 1_555 1_555 1_555 no C(17) C(1) H(12) 45.6(2) 1_555 1_555 1_555 no C(18) C(1) H(1) 119.5(7) 1_555 1_555 1_555 no C(18) C(1) H(2) 145.1(6) 1_555 1_555 1_555 no C(18) C(1) H(12) 75.1(4) 1_555 1_555 1_555 no H(1) C(1) H(2) 95.4(5) 1_555 1_555 1_555 no H(1) C(1) H(12) 44.4(4) 1_555 1_555 1_555 no H(2) C(1) H(12) 139.7(4) 1_555 1_555 1_555 no C(1) C(2) C(3) 120.7(8) 1_555 1_555 1_555 yes C(1) C(2) C(4) 90.0(6) 1_555 1_555 1_555 yes C(1) C(2) C(5) 60.0(5) 1_555 1_555 1_555 yes C(1) C(2) C(18) 30.1(4) 1_555 1_555 1_555 yes C(1) C(2) H(1) 24.2(4) 1_555 1_555 1_555 no C(1) C(2) H(2) 119.7(10) 1_555 1_555 1_555 no C(1) C(2) H(3) 144.5(7) 1_555 1_555 1_555 no C(3) C(2) C(4) 30.7(5) 1_555 1_555 1_555 yes C(3) C(2) C(5) 60.7(5) 1_555 1_555 1_555 yes C(3) C(2) C(18) 90.5(6) 1_555 1_555 1_555 yes C(3) C(2) H(1) 144.9(7) 1_555 1_555 1_555 no C(3) C(2) H(2) 119.7(9) 1_555 1_555 1_555 no C(3) C(2) H(3) 23.9(4) 1_555 1_555 1_555 no C(4) C(2) C(5) 30.0(3) 1_555 1_555 1_555 yes C(4) C(2) C(18) 59.8(3) 1_555 1_555 1_555 yes C(4) C(2) H(1) 114.2(4) 1_555 1_555 1_555 no C(4) C(2) H(2) 150.3(8) 1_555 1_555 1_555 no C(4) C(2) H(3) 54.6(3) 1_555 1_555 1_555 no C(5) C(2) C(18) 29.9(2) 1_555 1_555 1_555 yes C(5) C(2) H(1) 84.2(3) 1_555 1_555 1_555 no C(5) C(2) H(2) 178.5(6) 1_555 1_555 1_555 no C(5) C(2) H(3) 84.6(4) 1_555 1_555 1_555 no C(18) C(2) H(1) 54.3(2) 1_555 1_555 1_555 no C(18) C(2) H(2) 149.8(8) 1_555 1_555 1_555 no C(18) C(2) H(3) 114.4(5) 1_555 1_555 1_555 no H(1) C(2) H(2) 95.4(7) 1_555 1_555 1_555 no H(1) C(2) H(3) 168.6(5) 1_555 1_555 1_555 no H(2) C(2) H(3) 95.8(6) 1_555 1_555 1_555 no Ag(1) C(3) C(1) 99.5(3) 1_555 1_555 1_555 yes Ag(1) C(3) C(2) 100.0(5) 1_555 1_555 1_555 yes Ag(1) C(3) C(4) 83.7(5) 1_555 1_555 1_555 yes Ag(1) C(3) C(5) 90.0(3) 1_555 1_555 1_555 yes Ag(1) C(3) C(18) 96.1(3) 1_555 1_555 1_555 yes Ag(1) C(3) H(2) 98.5(4) 1_555 1_555 1_555 no Ag(1) C(3) H(3) 86.3(5) 1_555 1_555 1_555 no Ag(1) C(3) H(4) 79.6(3) 1_555 1_555 1_555 no C(1) C(3) C(2) 29.7(4) 1_555 1_555 1_555 yes C(1) C(3) C(4) 89.6(5) 1_555 1_555 1_555 yes C(1) C(3) C(5) 60.0(3) 1_555 1_555 1_555 yes C(1) C(3) C(18) 30.5(3) 1_555 1_555 1_555 yes C(1) C(3) H(2) 53.9(3) 1_555 1_555 1_555 no C(1) C(3) H(3) 149(1) 1_555 1_555 1_555 no C(1) C(3) H(4) 113.4(4) 1_555 1_555 1_555 no C(2) C(3) C(4) 119.2(7) 1_555 1_555 1_555 yes C(2) C(3) C(5) 89.6(5) 1_555 1_555 1_555 yes C(2) C(3) C(18) 60.2(4) 1_555 1_555 1_555 yes C(2) C(3) H(2) 24.2(4) 1_555 1_555 1_555 no C(2) C(3) H(3) 120(1) 1_555 1_555 1_555 no C(2) C(3) H(4) 143.0(6) 1_555 1_555 1_555 no C(4) C(3) C(5) 29.6(4) 1_555 1_555 1_555 yes C(4) C(3) C(18) 59.1(4) 1_555 1_555 1_555 yes C(4) C(3) H(2) 143.3(6) 1_555 1_555 1_555 no C(4) C(3) H(3) 120(1) 1_555 1_555 1_555 no C(4) C(3) H(4) 23.8(4) 1_555 1_555 1_555 no C(5) C(3) C(18) 29.5(2) 1_555 1_555 1_555 yes C(5) C(3) H(2) 113.8(4) 1_555 1_555 1_555 no C(5) C(3) H(3) 149(1) 1_555 1_555 1_555 no C(5) C(3) H(4) 53.4(3) 1_555 1_555 1_555 no C(18) C(3) H(2) 84.4(3) 1_555 1_555 1_555 no C(18) C(3) H(3) 177.4(6) 1_555 1_555 1_555 no C(18) C(3) H(4) 82.9(3) 1_555 1_555 1_555 no H(2) C(3) H(3) 96.2(9) 1_555 1_555 1_555 no H(2) C(3) H(4) 166.9(4) 1_555 1_555 1_555 no H(3) C(3) H(4) 96.6(9) 1_555 1_555 1_555 no Ag(1) C(4) C(1) 84.8(3) 1_555 1_555 1_555 yes Ag(1) C(4) C(2) 71.4(3) 1_555 1_555 1_555 yes Ag(1) C(4) C(3) 63.9(4) 1_555 1_555 1_555 yes Ag(1) C(4) C(5) 112.0(4) 1_555 1_555 1_555 yes Ag(1) C(4) C(6) 119.5(3) 1_555 1_555 1_555 yes Ag(1) C(4) C(18) 100.3(3) 1_555 1_555 1_555 yes Ag(1) C(4) H(3) 63.0(2) 1_555 1_555 1_555 no Ag(1) C(4) H(4) 93.8(5) 1_555 1_555 1_555 no Ag(1) C(4) H(5) 117.1(3) 1_555 1_555 1_555 no C(1) C(4) C(2) 29.9(3) 1_555 1_555 1_555 yes C(1) C(4) C(3) 59.9(5) 1_555 1_555 1_555 yes C(1) C(4) C(5) 60.5(5) 1_555 1_555 1_555 yes C(1) C(4) C(6) 91.8(3) 1_555 1_555 1_555 yes C(1) C(4) C(18) 31.1(2) 1_555 1_555 1_555 yes C(1) C(4) H(3) 83.4(4) 1_555 1_555 1_555 no C(1) C(4) H(4) 178.5(6) 1_555 1_555 1_555 no C(1) C(4) H(5) 112.9(3) 1_555 1_555 1_555 no C(2) C(4) C(3) 30.1(4) 1_555 1_555 1_555 yes C(2) C(4) C(5) 90.4(6) 1_555 1_555 1_555 yes C(2) C(4) C(6) 121.6(4) 1_555 1_555 1_555 yes C(2) C(4) C(18) 60.9(3) 1_555 1_555 1_555 yes C(2) C(4) H(3) 53.6(3) 1_555 1_555 1_555 no C(2) C(4) H(4) 149.8(8) 1_555 1_555 1_555 no C(2) C(4) H(5) 142.8(4) 1_555 1_555 1_555 no C(3) C(4) C(5) 120.4(8) 1_555 1_555 1_555 yes C(3) C(4) C(6) 151.6(6) 1_555 1_555 1_555 yes C(3) C(4) C(18) 90.9(6) 1_555 1_555 1_555 yes C(3) C(4) H(3) 23.6(4) 1_555 1_555 1_555 no C(3) C(4) H(4) 119.8(9) 1_555 1_555 1_555 no C(3) C(4) H(5) 172.8(6) 1_555 1_555 1_555 no C(5) C(4) C(6) 31.3(5) 1_555 1_555 1_555 yes C(5) C(4) C(18) 29.5(4) 1_555 1_555 1_555 yes C(5) C(4) H(3) 143.9(7) 1_555 1_555 1_555 no C(5) C(4) H(4) 119(1) 1_555 1_555 1_555 no C(5) C(4) H(5) 52.4(5) 1_555 1_555 1_555 no C(6) C(4) C(18) 60.7(3) 1_555 1_555 1_555 yes C(6) C(4) H(3) 174.4(4) 1_555 1_555 1_555 no C(6) C(4) H(4) 88.6(7) 1_555 1_555 1_555 no C(6) C(4) H(5) 21.2(2) 1_555 1_555 1_555 no C(18) C(4) H(3) 114.4(5) 1_555 1_555 1_555 no C(18) C(4) H(4) 149.3(8) 1_555 1_555 1_555 no C(18) C(4) H(5) 81.9(3) 1_555 1_555 1_555 no H(3) C(4) H(4) 96.3(6) 1_555 1_555 1_555 no H(3) C(4) H(5) 163.6(4) 1_555 1_555 1_555 no H(4) C(4) H(5) 67.4(6) 1_555 1_555 1_555 no C(1) C(5) C(2) 29.7(3) 1_555 1_555 1_555 yes C(1) C(5) C(3) 59.3(4) 1_555 1_555 1_555 yes C(1) C(5) C(4) 89.3(6) 1_555 1_555 1_555 yes C(1) C(5) C(6) 151.6(5) 1_555 1_555 1_555 yes C(1) C(5) C(7) 122.8(4) 1_555 1_555 1_555 yes C(1) C(5) C(17) 62.6(3) 1_555 1_555 1_555 yes C(1) C(5) C(18) 31.7(4) 1_555 1_555 1_555 yes C(1) C(5) H(4) 113.3(4) 1_555 1_555 1_555 no C(1) C(5) H(5) 174.3(4) 1_555 1_555 1_555 no C(2) C(5) C(3) 29.7(3) 1_555 1_555 1_555 yes C(2) C(5) C(4) 59.6(5) 1_555 1_555 1_555 yes C(2) C(5) C(6) 178.4(5) 1_555 1_555 1_555 yes C(2) C(5) C(7) 152.3(4) 1_555 1_555 1_555 yes C(2) C(5) C(17) 92.3(3) 1_555 1_555 1_555 yes C(2) C(5) C(18) 61.3(4) 1_555 1_555 1_555 yes C(2) C(5) H(4) 83.6(3) 1_555 1_555 1_555 no C(2) C(5) H(5) 155.6(4) 1_555 1_555 1_555 no C(3) C(5) C(4) 30.0(5) 1_555 1_555 1_555 yes C(3) C(5) C(6) 149.0(6) 1_555 1_555 1_555 yes C(3) C(5) C(7) 174.5(4) 1_555 1_555 1_555 yes C(3) C(5) C(17) 121.8(4) 1_555 1_555 1_555 yes C(3) C(5) C(18) 91.0(5) 1_555 1_555 1_555 yes C(3) C(5) H(4) 54.0(3) 1_555 1_555 1_555 no C(3) C(5) H(5) 126.0(4) 1_555 1_555 1_555 no C(4) C(5) C(6) 119.1(8) 1_555 1_555 1_555 yes C(4) C(5) C(7) 147.5(7) 1_555 1_555 1_555 yes C(4) C(5) C(17) 151.8(7) 1_555 1_555 1_555 yes C(4) C(5) C(18) 120.9(7) 1_555 1_555 1_555 yes C(4) C(5) H(4) 24.0(5) 1_555 1_555 1_555 no C(4) C(5) H(5) 96.0(6) 1_555 1_555 1_555 no C(6) C(5) C(7) 28.8(4) 1_555 1_555 1_555 yes C(6) C(5) C(17) 89.0(5) 1_555 1_555 1_555 yes C(6) C(5) C(18) 120.0(6) 1_555 1_555 1_555 yes C(6) C(5) H(4) 95.1(5) 1_555 1_555 1_555 no C(6) C(5) H(5) 23.2(4) 1_555 1_555 1_555 no C(7) C(5) C(17) 60.2(3) 1_555 1_555 1_555 yes C(7) C(5) C(18) 91.2(4) 1_555 1_555 1_555 yes C(7) C(5) H(4) 123.7(4) 1_555 1_555 1_555 no C(7) C(5) H(5) 52.0(2) 1_555 1_555 1_555 no C(17) C(5) C(18) 31.0(3) 1_555 1_555 1_555 yes C(17) C(5) H(4) 175.4(4) 1_555 1_555 1_555 no C(17) C(5) H(5) 112.1(3) 1_555 1_555 1_555 no C(18) C(5) H(4) 144.9(6) 1_555 1_555 1_555 no C(18) C(5) H(5) 143.0(5) 1_555 1_555 1_555 no H(4) C(5) H(5) 72.0(2) 1_555 1_555 1_555 no C(4) C(6) C(5) 29.7(4) 1_555 1_555 1_555 yes C(4) C(6) C(7) 149.4(6) 1_555 1_555 1_555 yes C(4) C(6) C(8) 119.9(4) 1_555 1_555 1_555 yes C(4) C(6) C(18) 58.9(3) 1_555 1_555 1_555 yes C(4) C(6) H(4) 21.5(2) 1_555 1_555 1_555 no C(4) C(6) H(5) 90.5(6) 1_555 1_555 1_555 no C(4) C(6) H(6) 171.9(4) 1_555 1_555 1_555 no C(5) C(6) C(7) 120.1(7) 1_555 1_555 1_555 yes C(5) C(6) C(8) 90.3(5) 1_555 1_555 1_555 yes C(5) C(6) C(18) 29.2(3) 1_555 1_555 1_555 yes C(5) C(6) H(4) 51.2(4) 1_555 1_555 1_555 no C(5) C(6) H(5) 120.0(8) 1_555 1_555 1_555 no C(5) C(6) H(6) 144.6(6) 1_555 1_555 1_555 no C(7) C(6) C(8) 29.9(4) 1_555 1_555 1_555 yes C(7) C(6) C(18) 91.0(5) 1_555 1_555 1_555 yes C(7) C(6) H(4) 169.9(6) 1_555 1_555 1_555 no C(7) C(6) H(5) 119.9(9) 1_555 1_555 1_555 no C(7) C(6) H(6) 24.6(4) 1_555 1_555 1_555 no C(8) C(6) C(18) 61.2(3) 1_555 1_555 1_555 yes C(8) C(6) H(4) 141.3(4) 1_555 1_555 1_555 no C(8) C(6) H(5) 149.6(8) 1_555 1_555 1_555 no C(8) C(6) H(6) 54.5(3) 1_555 1_555 1_555 no C(18) C(6) H(4) 80.3(3) 1_555 1_555 1_555 no C(18) C(6) H(5) 148.9(8) 1_555 1_555 1_555 no C(18) C(6) H(6) 115.6(4) 1_555 1_555 1_555 no H(4) C(6) H(5) 69.1(5) 1_555 1_555 1_555 no H(4) C(6) H(6) 163.0(4) 1_555 1_555 1_555 no H(5) C(6) H(6) 95.4(6) 1_555 1_555 1_555 no C(5) C(7) C(6) 31.1(4) 1_555 1_555 1_555 yes C(5) C(7) C(8) 91.0(5) 1_555 1_555 1_555 yes C(5) C(7) C(9) 120.1(4) 1_555 1_555 1_555 yes C(5) C(7) C(17) 60.8(3) 1_555 1_555 1_555 yes C(5) C(7) H(5) 55.3(3) 1_555 1_555 1_555 no C(5) C(7) H(6) 149.9(7) 1_555 1_555 1_555 no C(5) C(7) H(7) 141.5(4) 1_555 1_555 1_555 no C(6) C(7) C(8) 122.0(7) 1_555 1_555 1_555 yes C(6) C(7) C(9) 151.1(6) 1_555 1_555 1_555 yes C(6) C(7) C(17) 91.8(5) 1_555 1_555 1_555 yes C(6) C(7) H(5) 24.3(4) 1_555 1_555 1_555 no C(6) C(7) H(6) 119.1(8) 1_555 1_555 1_555 no C(6) C(7) H(7) 172.5(6) 1_555 1_555 1_555 no C(8) C(7) C(9) 29.1(3) 1_555 1_555 1_555 yes C(8) C(7) C(17) 30.2(3) 1_555 1_555 1_555 yes C(8) C(7) H(5) 146.1(6) 1_555 1_555 1_555 no C(8) C(7) H(6) 119.0(8) 1_555 1_555 1_555 no C(8) C(7) H(7) 50.6(4) 1_555 1_555 1_555 no C(9) C(7) C(17) 59.3(3) 1_555 1_555 1_555 yes C(9) C(7) H(5) 175.0(4) 1_555 1_555 1_555 no C(9) C(7) H(6) 89.8(5) 1_555 1_555 1_555 no C(9) C(7) H(7) 21.4(2) 1_555 1_555 1_555 no C(17) C(7) H(5) 116.0(4) 1_555 1_555 1_555 no C(17) C(7) H(6) 149.1(7) 1_555 1_555 1_555 no C(17) C(7) H(7) 80.7(3) 1_555 1_555 1_555 no H(5) C(7) H(6) 94.9(5) 1_555 1_555 1_555 no H(5) C(7) H(7) 163.2(4) 1_555 1_555 1_555 no H(6) C(7) H(7) 68.4(5) 1_555 1_555 1_555 no C(6) C(8) C(7) 28.2(4) 1_555 1_555 1_555 yes C(6) C(8) C(9) 148.9(5) 1_555 1_555 1_555 yes C(6) C(8) C(10) 178.0(4) 1_555 1_555 1_555 yes C(6) C(8) C(15) 151.6(4) 1_555 1_555 1_555 yes C(6) C(8) C(16) 121.8(4) 1_555 1_555 1_555 yes C(6) C(8) C(17) 91.4(4) 1_555 1_555 1_555 yes C(6) C(8) C(18) 59.7(3) 1_555 1_555 1_555 yes C(6) C(8) H(6) 52.0(3) 1_555 1_555 1_555 no C(6) C(8) H(7) 124.6(3) 1_555 1_555 1_555 no C(7) C(8) C(9) 120.8(6) 1_555 1_555 1_555 yes C(7) C(8) C(10) 149.9(5) 1_555 1_555 1_555 yes C(7) C(8) C(15) 179.7(5) 1_555 1_555 1_555 yes C(7) C(8) C(16) 150.0(5) 1_555 1_555 1_555 yes C(7) C(8) C(17) 119.5(6) 1_555 1_555 1_555 yes C(7) C(8) C(18) 87.9(5) 1_555 1_555 1_555 yes C(7) C(8) H(6) 23.8(3) 1_555 1_555 1_555 no C(7) C(8) H(7) 96.4(5) 1_555 1_555 1_555 no C(9) C(8) C(10) 29.1(3) 1_555 1_555 1_555 yes C(9) C(8) C(15) 59.5(4) 1_555 1_555 1_555 yes C(9) C(8) C(16) 89.2(4) 1_555 1_555 1_555 yes C(9) C(8) C(17) 119.7(6) 1_555 1_555 1_555 yes C(9) C(8) C(18) 151.3(5) 1_555 1_555 1_555 yes C(9) C(8) H(6) 97.0(4) 1_555 1_555 1_555 no C(9) C(8) H(7) 24.3(3) 1_555 1_555 1_555 no C(10) C(8) C(15) 30.4(2) 1_555 1_555 1_555 yes C(10) C(8) C(16) 60.1(2) 1_555 1_555 1_555 yes C(10) C(8) C(17) 90.6(4) 1_555 1_555 1_555 yes C(10) C(8) C(18) 122.2(3) 1_555 1_555 1_555 yes C(10) C(8) H(6) 126.1(3) 1_555 1_555 1_555 no C(10) C(8) H(7) 53.4(2) 1_555 1_555 1_555 no C(15) C(8) C(16) 29.8(2) 1_555 1_555 1_555 yes C(15) C(8) C(17) 60.2(4) 1_555 1_555 1_555 yes C(15) C(8) C(18) 91.9(3) 1_555 1_555 1_555 yes C(15) C(8) H(6) 156.5(3) 1_555 1_555 1_555 no C(15) C(8) H(7) 83.8(2) 1_555 1_555 1_555 no C(16) C(8) C(17) 30.5(3) 1_555 1_555 1_555 yes C(16) C(8) C(18) 62.2(3) 1_555 1_555 1_555 yes C(16) C(8) H(6) 173.8(4) 1_555 1_555 1_555 no C(16) C(8) H(7) 113.5(3) 1_555 1_555 1_555 no C(17) C(8) C(18) 31.7(3) 1_555 1_555 1_555 yes C(17) C(8) H(6) 143.3(5) 1_555 1_555 1_555 no C(17) C(8) H(7) 144.0(5) 1_555 1_555 1_555 no C(18) C(8) H(6) 111.6(3) 1_555 1_555 1_555 no C(18) C(8) H(7) 175.0(3) 1_555 1_555 1_555 no H(6) C(8) H(7) 72.7(2) 1_555 1_555 1_555 no C(7) C(9) C(8) 30.1(4) 1_555 1_555 1_555 yes C(7) C(9) C(10) 152.3(5) 1_555 1_555 1_555 yes C(7) C(9) C(11) 179.3(4) 1_555 1_555 1_555 yes C(7) C(9) C(15) 120.9(3) 1_555 1_555 1_555 yes C(7) C(9) C(16) 90.8(3) 1_555 1_555 1_555 yes C(7) C(9) C(17) 60.7(3) 1_555 1_555 1_555 yes C(7) C(9) H(6) 21.3(2) 1_555 1_555 1_555 no C(7) C(9) H(7) 88.8(5) 1_555 1_555 1_555 no C(7) C(9) H(8) 158.5(3) 1_555 1_555 1_555 no C(8) C(9) C(10) 122.1(6) 1_555 1_555 1_555 yes C(8) C(9) C(11) 150.6(5) 1_555 1_555 1_555 yes C(8) C(9) C(15) 90.8(4) 1_555 1_555 1_555 yes C(8) C(9) C(16) 60.7(4) 1_555 1_555 1_555 yes C(8) C(9) C(17) 30.6(3) 1_555 1_555 1_555 yes C(8) C(9) H(6) 51.4(3) 1_555 1_555 1_555 no C(8) C(9) H(7) 118.9(7) 1_555 1_555 1_555 no C(8) C(9) H(8) 171.3(5) 1_555 1_555 1_555 no C(10) C(9) C(11) 28.5(3) 1_555 1_555 1_555 yes C(10) C(9) C(15) 31.4(3) 1_555 1_555 1_555 yes C(10) C(9) C(16) 61.5(4) 1_555 1_555 1_555 yes C(10) C(9) C(17) 91.6(4) 1_555 1_555 1_555 yes C(10) C(9) H(6) 173.5(4) 1_555 1_555 1_555 no C(10) C(9) H(7) 119.0(6) 1_555 1_555 1_555 no C(10) C(9) H(8) 49.2(3) 1_555 1_555 1_555 no C(11) C(9) C(15) 59.8(3) 1_555 1_555 1_555 yes C(11) C(9) C(16) 89.9(3) 1_555 1_555 1_555 yes C(11) C(9) C(17) 120.0(4) 1_555 1_555 1_555 yes C(11) C(9) H(6) 158.0(3) 1_555 1_555 1_555 no C(11) C(9) H(7) 90.5(5) 1_555 1_555 1_555 no C(11) C(9) H(8) 20.7(2) 1_555 1_555 1_555 no C(15) C(9) C(16) 30.1(2) 1_555 1_555 1_555 yes C(15) C(9) C(17) 60.2(2) 1_555 1_555 1_555 yes C(15) C(9) H(6) 142.2(3) 1_555 1_555 1_555 no C(15) C(9) H(7) 150.3(6) 1_555 1_555 1_555 no C(15) C(9) H(8) 80.6(2) 1_555 1_555 1_555 no C(16) C(9) C(17) 30.1(2) 1_555 1_555 1_555 yes C(16) C(9) H(6) 112.1(3) 1_555 1_555 1_555 no C(16) C(9) H(7) 179.6(6) 1_555 1_555 1_555 no C(16) C(9) H(8) 110.7(3) 1_555 1_555 1_555 no C(17) C(9) H(6) 82.0(2) 1_555 1_555 1_555 no C(17) C(9) H(7) 149.5(6) 1_555 1_555 1_555 no C(17) C(9) H(8) 140.7(3) 1_555 1_555 1_555 no H(6) C(9) H(7) 67.5(4) 1_555 1_555 1_555 no H(6) C(9) H(8) 137.3(2) 1_555 1_555 1_555 no H(7) C(9) H(8) 69.8(4) 1_555 1_555 1_555 no C(8) C(10) C(9) 28.7(3) 1_555 1_555 1_555 yes C(8) C(10) C(11) 152.5(5) 1_555 1_555 1_555 yes C(8) C(10) C(12) 179.0(3) 1_555 1_555 1_555 yes C(8) C(10) C(14) 119.8(3) 1_555 1_555 1_555 yes C(8) C(10) C(15) 88.8(4) 1_555 1_555 1_555 yes C(8) C(10) C(16) 59.3(2) 1_555 1_555 1_555 yes C(8) C(10) H(7) 52.8(2) 1_555 1_555 1_555 no C(8) C(10) H(8) 128.6(3) 1_555 1_555 1_555 no C(9) C(10) C(11) 123.7(6) 1_555 1_555 1_555 yes C(9) C(10) C(12) 151.2(5) 1_555 1_555 1_555 yes C(9) C(10) C(14) 148.5(5) 1_555 1_555 1_555 yes C(9) C(10) C(15) 117.5(5) 1_555 1_555 1_555 yes C(9) C(10) C(16) 88.1(4) 1_555 1_555 1_555 yes C(9) C(10) H(7) 24.1(3) 1_555 1_555 1_555 no C(9) C(10) H(8) 99.9(4) 1_555 1_555 1_555 no C(11) C(10) C(12) 27.5(4) 1_555 1_555 1_555 yes C(11) C(10) C(14) 87.7(5) 1_555 1_555 1_555 yes C(11) C(10) C(15) 118.8(6) 1_555 1_555 1_555 yes C(11) C(10) C(16) 148.2(5) 1_555 1_555 1_555 yes C(11) C(10) H(7) 99.6(4) 1_555 1_555 1_555 no C(11) C(10) H(8) 23.8(3) 1_555 1_555 1_555 no C(12) C(10) C(14) 60.2(3) 1_555 1_555 1_555 yes C(12) C(10) C(15) 91.3(5) 1_555 1_555 1_555 yes C(12) C(10) C(16) 120.7(4) 1_555 1_555 1_555 yes C(12) C(10) H(7) 127.1(4) 1_555 1_555 1_555 no C(12) C(10) H(8) 51.4(3) 1_555 1_555 1_555 no C(14) C(10) C(15) 31.1(3) 1_555 1_555 1_555 yes C(14) C(10) C(16) 60.6(3) 1_555 1_555 1_555 yes C(14) C(10) H(7) 172.3(3) 1_555 1_555 1_555 no C(14) C(10) H(8) 111.5(3) 1_555 1_555 1_555 no C(15) C(10) C(16) 29.5(3) 1_555 1_555 1_555 yes C(15) C(10) H(7) 141.6(5) 1_555 1_555 1_555 no C(15) C(10) H(8) 142.6(5) 1_555 1_555 1_555 no C(16) C(10) H(7) 112.2(3) 1_555 1_555 1_555 no C(16) C(10) H(8) 172.0(3) 1_555 1_555 1_555 no H(7) C(10) H(8) 75.8(2) 1_555 1_555 1_555 no C(9) C(11) C(10) 27.8(3) 1_555 1_555 1_555 yes C(9) C(11) C(12) 150.3(6) 1_555 1_555 1_555 yes C(9) C(11) C(13) 119.0(4) 1_555 1_555 1_555 yes C(9) C(11) C(14) 89.1(3) 1_555 1_555 1_555 yes C(9) C(11) C(15) 58.2(3) 1_555 1_555 1_555 yes C(9) C(11) H(7) 20.8(2) 1_555 1_555 1_555 no C(9) C(11) H(8) 91.0(5) 1_555 1_555 1_555 no C(9) C(11) H(9) 175.0(4) 1_555 1_555 1_555 no C(10) C(11) C(12) 122.5(7) 1_555 1_555 1_555 yes C(10) C(11) C(13) 91.2(5) 1_555 1_555 1_555 yes C(10) C(11) C(14) 61.3(4) 1_555 1_555 1_555 yes C(10) C(11) C(15) 30.4(3) 1_555 1_555 1_555 yes C(10) C(11) H(7) 48.6(3) 1_555 1_555 1_555 no C(10) C(11) H(8) 118.8(7) 1_555 1_555 1_555 no C(10) C(11) H(9) 147.1(6) 1_555 1_555 1_555 no C(12) C(11) C(13) 31.3(4) 1_555 1_555 1_555 yes C(12) C(11) C(14) 61.2(5) 1_555 1_555 1_555 yes C(12) C(11) C(15) 92.1(5) 1_555 1_555 1_555 yes C(12) C(11) H(7) 171.0(5) 1_555 1_555 1_555 no C(12) C(11) H(8) 118.7(7) 1_555 1_555 1_555 no C(12) C(11) H(9) 24.7(4) 1_555 1_555 1_555 no C(13) C(11) C(14) 29.9(2) 1_555 1_555 1_555 yes C(13) C(11) C(15) 60.8(3) 1_555 1_555 1_555 yes C(13) C(11) H(7) 139.7(3) 1_555 1_555 1_555 no C(13) C(11) H(8) 150.0(6) 1_555 1_555 1_555 no C(13) C(11) H(9) 56.0(3) 1_555 1_555 1_555 no C(14) C(11) C(15) 30.9(2) 1_555 1_555 1_555 yes C(14) C(11) H(7) 109.9(3) 1_555 1_555 1_555 no C(14) C(11) H(8) 179.7(5) 1_555 1_555 1_555 no C(14) C(11) H(9) 85.9(3) 1_555 1_555 1_555 no C(15) C(11) H(7) 79.1(3) 1_555 1_555 1_555 no C(15) C(11) H(8) 149.2(7) 1_555 1_555 1_555 no C(15) C(11) H(9) 116.7(4) 1_555 1_555 1_555 no H(7) C(11) H(8) 70.2(5) 1_555 1_555 1_555 no H(7) C(11) H(9) 164.2(3) 1_555 1_555 1_555 no H(8) C(11) H(9) 94.1(5) 1_555 1_555 1_555 no C(10) C(12) C(11) 30.0(4) 1_555 1_555 1_555 yes C(10) C(12) C(13) 90.3(4) 1_555 1_555 1_555 yes C(10) C(12) C(14) 60.4(3) 1_555 1_555 1_555 yes C(10) C(12) H(8) 55.1(3) 1_555 1_555 1_555 no C(10) C(12) H(9) 149.8(9) 1_555 1_555 1_555 no C(10) C(12) H(10) 113.2(4) 1_555 1_555 1_555 no C(11) C(12) C(13) 120.2(6) 1_555 1_555 1_555 yes C(11) C(12) C(14) 90.3(5) 1_555 1_555 1_555 yes C(11) C(12) H(8) 25.1(4) 1_555 1_555 1_555 no C(11) C(12) H(9) 119.8(10) 1_555 1_555 1_555 no C(11) C(12) H(10) 143.2(6) 1_555 1_555 1_555 no C(13) C(12) C(14) 29.9(4) 1_555 1_555 1_555 yes C(13) C(12) H(8) 145.3(5) 1_555 1_555 1_555 no C(13) C(12) H(9) 119.9(9) 1_555 1_555 1_555 no C(13) C(12) H(10) 23.0(3) 1_555 1_555 1_555 no C(14) C(12) H(8) 115.5(4) 1_555 1_555 1_555 no C(14) C(12) H(9) 149.8(9) 1_555 1_555 1_555 no C(14) C(12) H(10) 52.9(3) 1_555 1_555 1_555 no H(8) C(12) H(9) 94.7(7) 1_555 1_555 1_555 no H(8) C(12) H(10) 168.1(4) 1_555 1_555 1_555 no H(9) C(12) H(10) 97.0(7) 1_555 1_555 1_555 no Ag(2) C(13) C(11) 102.7(3) 1_555 1_555 1_555 yes Ag(2) C(13) C(12) 104.8(5) 1_555 1_555 1_555 yes Ag(2) C(13) C(14) 79.6(4) 1_555 1_555 1_555 yes Ag(2) C(13) C(15) 87.1(3) 1_555 1_555 1_555 yes Ag(2) C(13) H(9) 103.9(3) 1_555 1_555 1_555 no Ag(2) C(13) H(10) 85.8(5) 1_555 1_555 1_555 no Ag(2) C(13) H(11) 75.4(3) 1_555 1_555 1_555 no C(11) C(13) C(12) 28.4(4) 1_555 1_555 1_555 yes C(11) C(13) C(14) 90.3(5) 1_555 1_555 1_555 yes C(11) C(13) C(15) 60.6(3) 1_555 1_555 1_555 yes C(11) C(13) H(9) 51.7(3) 1_555 1_555 1_555 no C(11) C(13) H(10) 149.0(8) 1_555 1_555 1_555 no C(11) C(13) H(11) 114.5(4) 1_555 1_555 1_555 no C(12) C(13) C(14) 118.7(7) 1_555 1_555 1_555 yes C(12) C(13) C(15) 89.0(5) 1_555 1_555 1_555 yes C(12) C(13) H(9) 23.3(3) 1_555 1_555 1_555 no C(12) C(13) H(10) 120.7(8) 1_555 1_555 1_555 no C(12) C(13) H(11) 142.9(5) 1_555 1_555 1_555 no C(14) C(13) C(15) 29.7(4) 1_555 1_555 1_555 yes C(14) C(13) H(9) 141.9(6) 1_555 1_555 1_555 no C(14) C(13) H(10) 120.7(9) 1_555 1_555 1_555 no C(14) C(13) H(11) 24.2(3) 1_555 1_555 1_555 no C(15) C(13) H(9) 112.2(4) 1_555 1_555 1_555 no C(15) C(13) H(10) 150.3(8) 1_555 1_555 1_555 no C(15) C(13) H(11) 53.9(2) 1_555 1_555 1_555 no H(9) C(13) H(10) 97.4(6) 1_555 1_555 1_555 no H(9) C(13) H(11) 166.0(4) 1_555 1_555 1_555 no H(10) C(13) H(11) 96.5(7) 1_555 1_555 1_555 no Ag(2) C(14) C(10) 102.8(3) 1_555 1_555 1_555 yes Ag(2) C(14) C(11) 89.2(2) 1_555 1_555 1_555 yes Ag(2) C(14) C(12) 76.6(3) 1_555 1_555 1_555 yes Ag(2) C(14) C(13) 67.6(4) 1_555 1_555 1_555 yes Ag(2) C(14) C(15) 111.8(4) 1_555 1_555 1_555 yes Ag(2) C(14) C(16) 115.6(3) 1_555 1_555 1_555 yes Ag(2) C(14) H(10) 65.1(2) 1_555 1_555 1_555 no Ag(2) C(14) H(11) 90.6(4) 1_555 1_555 1_555 no Ag(2) C(14) H(12) 113.2(2) 1_555 1_555 1_555 no C(10) C(14) C(11) 31.0(2) 1_555 1_555 1_555 yes C(10) C(14) C(12) 59.5(3) 1_555 1_555 1_555 yes C(10) C(14) C(13) 90.8(5) 1_555 1_555 1_555 yes C(10) C(14) C(15) 30.8(3) 1_555 1_555 1_555 yes C(10) C(14) C(16) 59.6(3) 1_555 1_555 1_555 yes C(10) C(14) H(10) 114.5(3) 1_555 1_555 1_555 no C(10) C(14) H(11) 149.9(6) 1_555 1_555 1_555 no C(10) C(14) H(12) 80.9(2) 1_555 1_555 1_555 no C(11) C(14) C(12) 28.5(3) 1_555 1_555 1_555 yes C(11) C(14) C(13) 59.8(4) 1_555 1_555 1_555 yes C(11) C(14) C(15) 61.8(4) 1_555 1_555 1_555 yes C(11) C(14) C(16) 90.6(3) 1_555 1_555 1_555 yes C(11) C(14) H(10) 83.5(3) 1_555 1_555 1_555 no C(11) C(14) H(11) 179.0(5) 1_555 1_555 1_555 no C(11) C(14) H(12) 111.9(3) 1_555 1_555 1_555 no C(12) C(14) C(13) 31.4(4) 1_555 1_555 1_555 yes C(12) C(14) C(15) 90.2(4) 1_555 1_555 1_555 yes C(12) C(14) C(16) 119.1(4) 1_555 1_555 1_555 yes C(12) C(14) H(10) 55.0(3) 1_555 1_555 1_555 no C(12) C(14) H(11) 150.6(6) 1_555 1_555 1_555 no C(12) C(14) H(12) 140.3(4) 1_555 1_555 1_555 no C(13) C(14) C(15) 121.6(6) 1_555 1_555 1_555 yes C(13) C(14) C(16) 150.5(6) 1_555 1_555 1_555 yes C(13) C(14) H(10) 23.6(4) 1_555 1_555 1_555 no C(13) C(14) H(11) 119.2(7) 1_555 1_555 1_555 no C(13) C(14) H(12) 171.7(5) 1_555 1_555 1_555 no C(15) C(14) C(16) 28.8(3) 1_555 1_555 1_555 yes C(15) C(14) H(10) 145.2(5) 1_555 1_555 1_555 no C(15) C(14) H(11) 119.1(6) 1_555 1_555 1_555 no C(15) C(14) H(12) 50.1(3) 1_555 1_555 1_555 no C(16) C(14) H(10) 174.1(4) 1_555 1_555 1_555 no C(16) C(14) H(11) 90.3(5) 1_555 1_555 1_555 no C(16) C(14) H(12) 21.3(2) 1_555 1_555 1_555 no H(10) C(14) H(11) 95.6(5) 1_555 1_555 1_555 no H(10) C(14) H(12) 164.6(3) 1_555 1_555 1_555 no H(11) C(14) H(12) 69.0(4) 1_555 1_555 1_555 no C(8) C(15) C(9) 29.7(2) 1_555 1_555 1_555 yes C(8) C(15) C(10) 60.8(4) 1_555 1_555 1_555 yes C(8) C(15) C(11) 91.7(3) 1_555 1_555 1_555 yes C(8) C(15) C(13) 150.2(4) 1_555 1_555 1_555 yes C(8) C(15) C(14) 176.8(4) 1_555 1_555 1_555 yes C(8) C(15) C(16) 59.6(4) 1_555 1_555 1_555 yes C(8) C(15) C(17) 30.6(2) 1_555 1_555 1_555 yes C(8) C(15) H(11) 157.1(3) 1_555 1_555 1_555 no C(8) C(15) H(12) 83.9(2) 1_555 1_555 1_555 no C(9) C(15) C(10) 31.1(3) 1_555 1_555 1_555 yes C(9) C(15) C(11) 61.9(3) 1_555 1_555 1_555 yes C(9) C(15) C(13) 120.5(3) 1_555 1_555 1_555 yes C(9) C(15) C(14) 149.1(5) 1_555 1_555 1_555 yes C(9) C(15) C(16) 89.4(4) 1_555 1_555 1_555 yes C(9) C(15) C(17) 60.3(3) 1_555 1_555 1_555 yes C(9) C(15) H(11) 172.4(3) 1_555 1_555 1_555 no C(9) C(15) H(12) 113.6(3) 1_555 1_555 1_555 no C(10) C(15) C(11) 30.8(3) 1_555 1_555 1_555 yes C(10) C(15) C(13) 89.4(4) 1_555 1_555 1_555 yes C(10) C(15) C(14) 118.1(5) 1_555 1_555 1_555 yes C(10) C(15) C(16) 120.5(6) 1_555 1_555 1_555 yes C(10) C(15) C(17) 91.4(4) 1_555 1_555 1_555 yes C(10) C(15) H(11) 141.8(4) 1_555 1_555 1_555 no C(10) C(15) H(12) 144.7(5) 1_555 1_555 1_555 no C(11) C(15) C(13) 58.6(3) 1_555 1_555 1_555 yes C(11) C(15) C(14) 87.3(4) 1_555 1_555 1_555 yes C(11) C(15) C(16) 151.3(5) 1_555 1_555 1_555 yes C(11) C(15) C(17) 122.2(4) 1_555 1_555 1_555 yes C(11) C(15) H(11) 111.1(3) 1_555 1_555 1_555 no C(11) C(15) H(12) 175.4(4) 1_555 1_555 1_555 no C(13) C(15) C(14) 28.7(4) 1_555 1_555 1_555 yes C(13) C(15) C(16) 150.1(5) 1_555 1_555 1_555 yes C(13) C(15) C(17) 178.3(4) 1_555 1_555 1_555 yes C(13) C(15) H(11) 52.4(3) 1_555 1_555 1_555 no C(13) C(15) H(12) 125.9(4) 1_555 1_555 1_555 no C(14) C(15) C(16) 121.4(6) 1_555 1_555 1_555 yes C(14) C(15) C(17) 150.4(5) 1_555 1_555 1_555 yes C(14) C(15) H(11) 23.7(3) 1_555 1_555 1_555 no C(14) C(15) H(12) 97.2(4) 1_555 1_555 1_555 no C(16) C(15) C(17) 29.0(3) 1_555 1_555 1_555 yes C(16) C(15) H(11) 97.7(4) 1_555 1_555 1_555 no C(16) C(15) H(12) 24.3(3) 1_555 1_555 1_555 no C(17) C(15) H(11) 126.7(3) 1_555 1_555 1_555 no C(17) C(15) H(12) 53.3(2) 1_555 1_555 1_555 no H(11) C(15) H(12) 73.4(2) 1_555 1_555 1_555 no C(8) C(16) C(9) 30.1(2) 1_555 1_555 1_555 yes C(8) C(16) C(10) 60.5(3) 1_555 1_555 1_555 yes C(8) C(16) C(14) 120.3(3) 1_555 1_555 1_555 yes C(8) C(16) C(15) 90.6(4) 1_555 1_555 1_555 yes C(8) C(16) C(17) 31.3(3) 1_555 1_555 1_555 yes C(8) C(16) C(18) 60.4(3) 1_555 1_555 1_555 yes C(8) C(16) H(1) 106.7(3) 1_555 1_555 1_555 no C(8) C(16) H(11) 141.4(3) 1_555 1_555 1_555 no C(8) C(16) H(12) 150.4(5) 1_555 1_555 1_555 no C(9) C(16) C(10) 30.5(2) 1_555 1_555 1_555 yes C(9) C(16) C(14) 90.3(3) 1_555 1_555 1_555 yes C(9) C(16) C(15) 60.5(4) 1_555 1_555 1_555 yes C(9) C(16) C(17) 61.4(4) 1_555 1_555 1_555 yes C(9) C(16) C(18) 90.4(3) 1_555 1_555 1_555 yes C(9) C(16) H(1) 136.7(3) 1_555 1_555 1_555 no C(9) C(16) H(11) 111.4(3) 1_555 1_555 1_555 no C(9) C(16) H(12) 179.5(5) 1_555 1_555 1_555 no C(10) C(16) C(14) 59.8(3) 1_555 1_555 1_555 yes C(10) C(16) C(15) 30.1(3) 1_555 1_555 1_555 yes C(10) C(16) C(17) 91.9(4) 1_555 1_555 1_555 yes C(10) C(16) C(18) 120.8(3) 1_555 1_555 1_555 yes C(10) C(16) H(1) 166.7(3) 1_555 1_555 1_555 no C(10) C(16) H(11) 81.0(2) 1_555 1_555 1_555 no C(10) C(16) H(12) 149.1(5) 1_555 1_555 1_555 no C(14) C(16) C(15) 29.8(3) 1_555 1_555 1_555 yes C(14) C(16) C(17) 151.6(5) 1_555 1_555 1_555 yes C(14) C(16) C(18) 179.3(4) 1_555 1_555 1_555 yes C(14) C(16) H(1) 133.0(3) 1_555 1_555 1_555 no C(14) C(16) H(11) 21.2(2) 1_555 1_555 1_555 no C(14) C(16) H(12) 89.3(4) 1_555 1_555 1_555 no C(15) C(16) C(17) 122.0(6) 1_555 1_555 1_555 yes C(15) C(16) C(18) 150.9(5) 1_555 1_555 1_555 yes C(15) C(16) H(1) 162.4(5) 1_555 1_555 1_555 no C(15) C(16) H(11) 50.9(3) 1_555 1_555 1_555 no C(15) C(16) H(12) 119.0(6) 1_555 1_555 1_555 no C(17) C(16) C(18) 29.0(3) 1_555 1_555 1_555 yes C(17) C(16) H(1) 75.4(3) 1_555 1_555 1_555 no C(17) C(16) H(11) 172.6(4) 1_555 1_555 1_555 no C(17) C(16) H(12) 119.0(6) 1_555 1_555 1_555 no C(18) C(16) H(1) 46.3(2) 1_555 1_555 1_555 no C(18) C(16) H(11) 158.2(3) 1_555 1_555 1_555 no C(18) C(16) H(12) 90.0(4) 1_555 1_555 1_555 no H(1) C(16) H(11) 111.9(2) 1_555 1_555 1_555 no H(1) C(16) H(12) 43.8(3) 1_555 1_555 1_555 no H(11) C(16) H(12) 68.1(4) 1_555 1_555 1_555 no C(1) C(17) C(5) 57.1(3) 1_555 1_555 1_555 yes C(1) C(17) C(7) 116.0(4) 1_555 1_555 1_555 yes C(1) C(17) C(8) 146.3(5) 1_555 1_555 1_555 yes C(1) C(17) C(9) 174.7(3) 1_555 1_555 1_555 yes C(1) C(17) C(15) 124.4(3) 1_555 1_555 1_555 yes C(1) C(17) C(16) 95.5(4) 1_555 1_555 1_555 yes C(1) C(17) C(18) 28.4(3) 1_555 1_555 1_555 yes C(1) C(17) H(1) 20.6(2) 1_555 1_555 1_555 no C(1) C(17) H(12) 71.3(2) 1_555 1_555 1_555 no C(5) C(17) C(7) 58.9(3) 1_555 1_555 1_555 yes C(5) C(17) C(8) 89.2(4) 1_555 1_555 1_555 yes C(5) C(17) C(9) 118.9(3) 1_555 1_555 1_555 yes C(5) C(17) C(15) 178.1(3) 1_555 1_555 1_555 yes C(5) C(17) C(16) 152.6(5) 1_555 1_555 1_555 yes C(5) C(17) C(18) 28.7(3) 1_555 1_555 1_555 yes C(5) C(17) H(1) 77.7(2) 1_555 1_555 1_555 no C(5) C(17) H(12) 128.4(3) 1_555 1_555 1_555 no C(7) C(17) C(8) 30.3(4) 1_555 1_555 1_555 yes C(7) C(17) C(9) 60.0(3) 1_555 1_555 1_555 yes C(7) C(17) C(15) 119.5(3) 1_555 1_555 1_555 yes C(7) C(17) C(16) 148.5(5) 1_555 1_555 1_555 yes C(7) C(17) C(18) 87.7(4) 1_555 1_555 1_555 yes C(7) C(17) H(1) 136.6(3) 1_555 1_555 1_555 no C(7) C(17) H(12) 172.6(4) 1_555 1_555 1_555 no C(8) C(17) C(9) 29.7(3) 1_555 1_555 1_555 yes C(8) C(17) C(15) 89.2(4) 1_555 1_555 1_555 yes C(8) C(17) C(16) 118.2(5) 1_555 1_555 1_555 yes C(8) C(17) C(18) 118.0(6) 1_555 1_555 1_555 yes C(8) C(17) H(1) 166.8(5) 1_555 1_555 1_555 no C(8) C(17) H(12) 142.4(5) 1_555 1_555 1_555 no C(9) C(17) C(15) 59.5(3) 1_555 1_555 1_555 yes C(9) C(17) C(16) 88.5(4) 1_555 1_555 1_555 yes C(9) C(17) C(18) 147.6(5) 1_555 1_555 1_555 yes C(9) C(17) H(1) 163.1(3) 1_555 1_555 1_555 no C(9) C(17) H(12) 112.7(3) 1_555 1_555 1_555 no C(15) C(17) C(16) 29.0(3) 1_555 1_555 1_555 yes C(15) C(17) C(18) 152.8(5) 1_555 1_555 1_555 yes C(15) C(17) H(1) 103.9(3) 1_555 1_555 1_555 no C(15) C(17) H(12) 53.2(2) 1_555 1_555 1_555 no C(16) C(17) C(18) 123.9(5) 1_555 1_555 1_555 yes C(16) C(17) H(1) 74.9(3) 1_555 1_555 1_555 no C(16) C(17) H(12) 24.2(3) 1_555 1_555 1_555 no C(18) C(17) H(1) 49.0(3) 1_555 1_555 1_555 no C(18) C(17) H(12) 99.7(4) 1_555 1_555 1_555 no H(1) C(17) H(12) 50.7(1) 1_555 1_555 1_555 no C(1) C(18) C(2) 28.9(4) 1_555 1_555 1_555 yes C(1) C(18) C(3) 58.2(5) 1_555 1_555 1_555 yes C(1) C(18) C(4) 88.2(5) 1_555 1_555 1_555 yes C(1) C(18) C(5) 117.7(6) 1_555 1_555 1_555 yes C(1) C(18) C(6) 148.6(5) 1_555 1_555 1_555 yes C(1) C(18) C(8) 152.2(5) 1_555 1_555 1_555 yes C(1) C(18) C(16) 94.9(5) 1_555 1_555 1_555 yes C(1) C(18) C(17) 122.0(6) 1_555 1_555 1_555 yes C(1) C(18) H(1) 23.7(3) 1_555 1_555 1_555 no C(1) C(18) H(12) 74.3(4) 1_555 1_555 1_555 no C(2) C(18) C(3) 29.3(3) 1_555 1_555 1_555 yes C(2) C(18) C(4) 59.2(4) 1_555 1_555 1_555 yes C(2) C(18) C(5) 88.8(5) 1_555 1_555 1_555 yes C(2) C(18) C(6) 119.6(4) 1_555 1_555 1_555 yes C(2) C(18) C(8) 175.9(3) 1_555 1_555 1_555 yes C(2) C(18) C(16) 123.8(4) 1_555 1_555 1_555 yes C(2) C(18) C(17) 150.8(5) 1_555 1_555 1_555 yes C(2) C(18) H(1) 52.6(3) 1_555 1_555 1_555 no C(2) C(18) H(12) 103.2(3) 1_555 1_555 1_555 no C(3) C(18) C(4) 30.0(3) 1_555 1_555 1_555 yes C(3) C(18) C(5) 59.5(5) 1_555 1_555 1_555 yes C(3) C(18) C(6) 90.4(4) 1_555 1_555 1_555 yes C(3) C(18) C(8) 149.0(4) 1_555 1_555 1_555 yes C(3) C(18) C(16) 152.9(4) 1_555 1_555 1_555 yes C(3) C(18) C(17) 176.0(4) 1_555 1_555 1_555 yes C(3) C(18) H(1) 81.9(3) 1_555 1_555 1_555 no C(3) C(18) H(12) 132.5(4) 1_555 1_555 1_555 no C(4) C(18) C(5) 29.6(4) 1_555 1_555 1_555 yes C(4) C(18) C(6) 60.4(4) 1_555 1_555 1_555 yes C(4) C(18) C(8) 119.4(4) 1_555 1_555 1_555 yes C(4) C(18) C(16) 176.3(4) 1_555 1_555 1_555 yes C(4) C(18) C(17) 149.7(5) 1_555 1_555 1_555 yes C(4) C(18) H(1) 111.8(4) 1_555 1_555 1_555 no C(4) C(18) H(12) 162.5(4) 1_555 1_555 1_555 no C(5) C(18) C(6) 30.8(4) 1_555 1_555 1_555 yes C(5) C(18) C(8) 89.9(5) 1_555 1_555 1_555 yes C(5) C(18) C(16) 147.4(5) 1_555 1_555 1_555 yes C(5) C(18) C(17) 120.3(6) 1_555 1_555 1_555 yes C(5) C(18) H(1) 141.4(5) 1_555 1_555 1_555 no C(5) C(18) H(12) 168.0(5) 1_555 1_555 1_555 no C(6) C(18) C(8) 59.1(3) 1_555 1_555 1_555 yes C(6) C(18) C(16) 116.6(3) 1_555 1_555 1_555 yes C(6) C(18) C(17) 89.5(4) 1_555 1_555 1_555 yes C(6) C(18) H(1) 172.2(4) 1_555 1_555 1_555 no C(6) C(18) H(12) 137.1(3) 1_555 1_555 1_555 no C(8) C(18) C(16) 57.5(2) 1_555 1_555 1_555 yes C(8) C(18) C(17) 30.4(3) 1_555 1_555 1_555 yes C(8) C(18) H(1) 128.7(3) 1_555 1_555 1_555 no C(8) C(18) H(12) 78.1(2) 1_555 1_555 1_555 no C(16) C(18) C(17) 27.1(3) 1_555 1_555 1_555 yes C(16) C(18) H(1) 71.2(2) 1_555 1_555 1_555 no C(16) C(18) H(12) 20.6(2) 1_555 1_555 1_555 no C(17) C(18) H(1) 98.3(4) 1_555 1_555 1_555 no C(17) C(18) H(12) 47.7(3) 1_555 1_555 1_555 no H(1) C(18) H(12) 50.6(1) 1_555 1_555 1_555 no #------------------------------------------------------------------------------ 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 Ag(1) C(3) C(1) C(2) 93.6(8) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(1) C(4) -83.5(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(1) C(5) -84.5(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(1) C(17) -88.6(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(1) C(18) -85.9(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(2) C(1) -91.6(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(2) C(4) -88.3(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(2) C(5) -90.0(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(2) C(18) -91.3(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(4) C(1) 99.6(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(4) C(2) 98.0(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(4) C(5) 101.3(6) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(4) C(6) 104(1) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(4) C(18) 101.0(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(5) C(1) 101.0(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(5) C(2) 100.0(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(5) C(4) -77.0(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(5) C(6) -81.7(10) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(5) C(7) -143(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(5) C(17) 105.2(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(5) C(18) 102.4(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(18) C(1) 98.3(6) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(18) C(2) 98.1(6) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(18) C(4) -78.8(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(18) C(5) -79.2(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(18) C(6) -80.4(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(18) C(8) -89.5(6) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(18) C(16) 105.9(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(3) C(18) C(17) -167(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(1) C(2) 61.1(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(1) C(3) 62.8(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(1) C(5) -119.0(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(1) C(17) -121.6(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(1) C(18) -120.0(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(2) C(1) -113.1(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(2) C(3) 69.8(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(2) C(5) -113.2(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(2) C(18) -113.8(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(3) C(1) -99.6(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(3) C(2) -98.0(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(3) C(5) -101.3(6) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(3) C(18) -101.0(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(5) C(1) 70.0(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(5) C(2) 70.1(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(5) C(3) 71.8(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(5) C(6) -111.0(6) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(5) C(7) -117.6(8) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(5) C(17) 75(1) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(5) C(18) 71.1(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(6) C(5) 84.1(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(6) C(7) 96(1) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(6) C(8) 89.9(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(6) C(18) 85.3(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(18) C(1) 61.2(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(18) C(2) 61.9(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(18) C(3) 63.6(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(18) C(5) -116.9(7) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(18) C(6) -118.2(4) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(18) C(8) -122.7(3) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(18) C(16) -152(5) 1_555 1_555 1_555 1_555 yes Ag(1) C(4) C(18) C(17) -124.3(8) 1_555 1_555 1_555 1_555 yes Ag(2) O(1) Cl(1) O(2) 137.1(3) 1_555 1_555 1_555 1_555 yes Ag(2) O(1) Cl(1) O(3) -101.7(4) 1_555 1_555 1_555 1_555 yes Ag(2) O(1) Cl(1) O(4) 18.7(4) 1_555 1_555 1_555 1_555 yes Ag(2) O(1) O(2) Cl(1) -73.5(5) 1_555 1_555 1_555 1_555 yes Ag(2) O(1) O(2) O(3) -107.6(5) 1_555 1_555 1_555 1_555 yes Ag(2) O(1) O(2) O(4) -37.4(5) 1_555 1_555 1_555 1_555 yes Ag(2) O(1) O(3) Cl(1) 102.7(4) 1_555 1_555 1_555 1_555 yes Ag(2) O(1) O(3) O(2) 137.6(4) 1_555 1_555 1_555 1_555 yes Ag(2) O(1) O(3) O(4) 67.5(3) 1_555 1_555 1_555 1_555 yes Ag(2) O(1) O(4) Cl(1) -164.6(4) 1_555 1_555 1_555 1_555 yes Ag(2) O(1) O(4) O(2) 159.1(3) 1_555 1_555 1_555 1_555 yes Ag(2) O(1) O(4) O(3) -129.9(3) 1_555 1_555 1_555 1_555 yes Ag(2) O(2) Cl(1) O(1) -45.4(4) 1_555 1_655 1_655 1_655 yes Ag(2) O(2) Cl(1) O(3) -165.7(4) 1_555 1_655 1_655 1_655 yes Ag(2) O(2) Cl(1) O(4) 73.3(4) 1_555 1_655 1_655 1_655 yes Ag(2) C(13) C(11) C(9) 82.2(4) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(11) C(10) 80.5(4) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(11) C(12) -97.7(8) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(11) C(14) 79.4(4) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(11) C(15) 79.2(3) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(12) C(10) 88.3(4) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(12) C(11) 89.4(7) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(12) C(14) 86.1(6) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(14) C(10) -103.5(2) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(14) C(11) -102.8(3) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(14) C(12) -101.3(6) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(14) C(15) -102.6(5) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(14) C(16) -102.7(9) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(15) C(8) -112.2(6) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(15) C(9) -109.4(4) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(15) C(10) -107.6(4) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(15) C(11) -106.3(3) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(15) C(14) 74.0(6) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(15) C(16) 74.3(9) 1_555 1_555 1_555 1_555 yes Ag(2) C(13) C(15) C(17) 131(12) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(10) C(8) 115.3(3) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(10) C(9) 118.0(8) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(10) C(11) -66.1(4) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(10) C(12) -65.9(3) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(10) C(15) 111.3(6) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(10) C(16) 112.4(3) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(11) C(9) 118.1(3) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(11) C(10) 116.9(4) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(11) C(12) -62.7(5) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(11) C(13) -64.4(4) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(11) C(15) 115.4(4) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(12) C(10) 113.8(3) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(12) C(11) 114.1(5) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(12) C(13) -68.8(6) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(13) C(11) 102.8(3) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(13) C(12) 101.3(6) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(13) C(15) 102.6(5) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(15) C(8) -148(7) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(15) C(9) -82.1(8) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(15) C(10) -78.2(6) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(15) C(11) -76.6(4) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(15) C(13) -76.4(6) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(15) C(16) 103.8(5) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(15) C(17) 106.5(8) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(16) C(8) -93.1(4) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(16) C(9) -91.7(3) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(16) C(10) -90.2(3) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(16) C(15) -89.0(6) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(16) C(17) -93.9(9) 1_555 1_555 1_555 1_555 yes Ag(2) C(14) C(16) C(18) 97(26) 1_555 1_555 1_555 1_555 yes Cl(1) O(1) Ag(2) O(2) 67.7(4) 1_555 1_555 1_555 1_655 yes Cl(1) O(1) Ag(2) O(9) -8.6(4) 1_555 1_555 1_555 1_555 yes Cl(1) O(1) Ag(2) C(13) 161.4(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(1) Ag(2) C(14) -158.7(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(1) O(2) O(3) -34.1(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(1) O(2) O(4) 36.1(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(1) O(3) O(2) 34.9(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(1) O(3) O(4) -35.2(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(1) O(4) O(2) -36.3(2) 1_555 1_555 1_555 1_555 yes Cl(1) O(1) O(4) O(3) 34.7(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(2) Ag(2) O(1) 171.1(4) 1_555 1_555 1_455 1_455 yes Cl(1) O(2) Ag(2) O(9) -78.6(4) 1_555 1_555 1_455 1_455 yes Cl(1) O(2) Ag(2) C(13) 47.9(4) 1_555 1_555 1_455 1_455 yes Cl(1) O(2) Ag(2) C(14) 39.7(5) 1_555 1_555 1_455 1_455 yes Cl(1) O(2) O(1) O(3) 34.1(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(2) O(1) O(4) -36.1(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(2) O(3) O(1) -35.9(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(2) O(3) O(4) 35.3(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(2) O(4) O(1) 36.3(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(2) O(4) O(3) -33.8(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(3) O(1) O(2) -34.9(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(3) O(1) O(4) 35.2(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(3) O(2) O(1) 35.9(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(3) O(2) O(4) -35.3(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(3) O(4) O(1) -35.6(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(3) O(4) O(2) 34.8(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(4) Ag(1) O(9) -78.0(3) 1_555 1_555 1_565 1_455 yes Cl(1) O(4) O(1) O(2) 36.3(2) 1_555 1_555 1_555 1_555 yes Cl(1) O(4) O(1) O(3) -34.7(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(4) O(2) O(1) -36.3(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(4) O(2) O(3) 33.8(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(4) O(3) O(1) 35.6(3) 1_555 1_555 1_555 1_555 yes Cl(1) O(4) O(3) O(2) -34.8(3) 1_555 1_555 1_555 1_555 yes Cl(2) O(5) Ag(1) O(9) -151(1) 1_555 1_555 1_665 1_555 yes Cl(2) O(5) O(6) O(7) -43.9(9) 1_555 1_555 1_555 1_555 yes Cl(2) O(5) O(6) O(8) 32.3(6) 1_555 1_555 1_555 1_555 yes Cl(2) O(5) O(7) O(6) 33.2(5) 1_555 1_555 1_555 1_555 yes Cl(2) O(5) O(7) O(8) -37.8(5) 1_555 1_555 1_555 1_555 yes Cl(2) O(5) O(8) O(6) -26.3(6) 1_555 1_555 1_555 1_555 yes Cl(2) O(5) O(8) O(7) 40.2(6) 1_555 1_555 1_555 1_555 yes Cl(2) O(6) O(5) O(7) 43.9(9) 1_555 1_555 1_555 1_555 yes Cl(2) O(6) O(5) O(8) -32.3(6) 1_555 1_555 1_555 1_555 yes Cl(2) O(6) O(7) O(5) -37.0(9) 1_555 1_555 1_555 1_555 yes Cl(2) O(6) O(7) O(8) 31.5(7) 1_555 1_555 1_555 1_555 yes Cl(2) O(6) O(8) O(5) 29.6(7) 1_555 1_555 1_555 1_555 yes Cl(2) O(6) O(8) O(7) -33.8(9) 1_555 1_555 1_555 1_555 yes Cl(2) O(7) O(5) O(6) -33.2(5) 1_555 1_555 1_555 1_555 yes Cl(2) O(7) O(5) O(8) 37.8(5) 1_555 1_555 1_555 1_555 yes Cl(2) O(7) O(6) O(5) 37.0(9) 1_555 1_555 1_555 1_555 yes Cl(2) O(7) O(6) O(8) -31.5(7) 1_555 1_555 1_555 1_555 yes Cl(2) O(7) O(8) O(5) -44.6(9) 1_555 1_555 1_555 1_555 yes Cl(2) O(7) O(8) O(6) 33.0(7) 1_555 1_555 1_555 1_555 yes Cl(2) O(8) O(5) O(6) 26.3(6) 1_555 1_555 1_555 1_555 yes Cl(2) O(8) O(5) O(7) -40.2(6) 1_555 1_555 1_555 1_555 yes Cl(2) O(8) O(6) O(5) -29.6(7) 1_555 1_555 1_555 1_555 yes Cl(2) O(8) O(6) O(7) 33.8(9) 1_555 1_555 1_555 1_555 yes Cl(2) O(8) O(7) O(5) 44.6(9) 1_555 1_555 1_555 1_555 yes Cl(2) O(8) O(7) O(6) -33.0(7) 1_555 1_555 1_555 1_555 yes O(1) Ag(2) C(13) C(11) 16.8(4) 1_555 1_555 1_555 1_555 yes O(1) Ag(2) C(13) C(12) -12.4(6) 1_555 1_555 1_555 1_555 yes O(1) Ag(2) C(13) C(14) 104.8(5) 1_555 1_555 1_555 1_555 yes O(1) Ag(2) C(13) C(15) 75.8(3) 1_555 1_555 1_555 1_555 yes O(1) Ag(2) C(14) C(10) -12.9(4) 1_555 1_555 1_555 1_555 yes O(1) Ag(2) C(14) C(11) -41.0(3) 1_555 1_555 1_555 1_555 yes O(1) Ag(2) C(14) C(12) -66.8(3) 1_555 1_555 1_555 1_555 yes O(1) Ag(2) C(14) C(13) -98.5(5) 1_555 1_555 1_555 1_555 yes O(1) Ag(2) C(14) C(15) 18.0(5) 1_555 1_555 1_555 1_555 yes O(1) Ag(2) C(14) C(16) 49.3(4) 1_555 1_555 1_555 1_555 yes O(1) Cl(1) O(2) O(3) 120.3(4) 1_555 1_555 1_555 1_555 yes O(1) Cl(1) O(2) O(4) -118.7(4) 1_555 1_555 1_555 1_555 yes O(1) Cl(1) O(3) O(2) -119.8(4) 1_555 1_555 1_555 1_555 yes O(1) Cl(1) O(3) O(4) 119.9(4) 1_555 1_555 1_555 1_555 yes O(1) Cl(1) O(4) O(2) 118.3(4) 1_555 1_555 1_555 1_555 yes O(1) Cl(1) O(4) O(3) -120.1(4) 1_555 1_555 1_555 1_555 yes O(1) O(2) Ag(2) O(9) -103.5(3) 1_555 1_555 1_455 1_455 yes O(1) O(2) Ag(2) C(13) 23.0(3) 1_555 1_555 1_455 1_455 yes O(1) O(2) Ag(2) C(14) 14.8(3) 1_555 1_555 1_455 1_455 yes O(1) O(2) Cl(1) O(3) -120.3(4) 1_555 1_555 1_555 1_555 yes O(1) O(2) Cl(1) O(4) 118.7(4) 1_555 1_555 1_555 1_555 yes O(1) O(2) O(3) O(4) 71.3(2) 1_555 1_555 1_555 1_555 yes O(1) O(2) O(4) O(3) -70.2(3) 1_555 1_555 1_555 1_555 yes O(1) O(3) Cl(1) O(2) 119.8(4) 1_555 1_555 1_555 1_555 yes O(1) O(3) Cl(1) O(4) -119.9(4) 1_555 1_555 1_555 1_555 yes O(1) O(3) O(2) O(4) -71.3(2) 1_555 1_555 1_555 1_555 yes O(1) O(3) O(4) O(2) 70.4(2) 1_555 1_555 1_555 1_555 yes O(1) O(4) Ag(1) O(9) -44.7(4) 1_555 1_555 1_565 1_455 yes O(1) O(4) Cl(1) O(2) -118.3(4) 1_555 1_555 1_555 1_555 yes O(1) O(4) Cl(1) O(3) 120.1(4) 1_555 1_555 1_555 1_555 yes O(1) O(4) O(2) O(3) 70.2(3) 1_555 1_555 1_555 1_555 yes O(1) O(4) O(3) O(2) -70.4(2) 1_555 1_555 1_555 1_555 yes O(2) Ag(2) C(13) C(12) 74.9(5) 1_555 1_455 1_455 1_455 yes O(2) Ag(2) C(13) C(14) -168.0(4) 1_555 1_455 1_455 1_455 yes O(2) Ag(2) C(14) C(13) 15.3(5) 1_555 1_455 1_455 1_455 yes O(2) Ag(2) C(14) C(15) 131.8(4) 1_555 1_455 1_455 1_455 yes O(2) Cl(1) O(1) O(3) -121.2(4) 1_555 1_555 1_555 1_555 yes O(2) Cl(1) O(1) O(4) 118.4(4) 1_555 1_555 1_555 1_555 yes O(2) Cl(1) O(3) O(4) -120.3(4) 1_555 1_555 1_555 1_555 yes O(2) Cl(1) O(4) O(3) 121.7(4) 1_555 1_555 1_555 1_555 yes O(2) O(1) Ag(2) O(9) 33.6(5) 1_555 1_555 1_555 1_555 yes O(2) O(1) Ag(2) C(13) -156.4(5) 1_555 1_555 1_555 1_555 yes O(2) O(1) Ag(2) C(14) -116.4(5) 1_555 1_555 1_555 1_555 yes O(2) O(1) Cl(1) O(3) 121.2(4) 1_555 1_555 1_555 1_555 yes O(2) O(1) Cl(1) O(4) -118.4(4) 1_555 1_555 1_555 1_555 yes O(2) O(1) O(3) O(4) -70.2(3) 1_555 1_555 1_555 1_555 yes O(2) O(1) O(4) O(3) 71.0(3) 1_555 1_555 1_555 1_555 yes O(2) O(3) Cl(1) O(4) 120.3(4) 1_555 1_555 1_555 1_555 yes O(2) O(3) O(1) O(4) 70.2(3) 1_555 1_555 1_555 1_555 yes O(2) O(4) Ag(1) O(9) -67.3(2) 1_555 1_555 1_565 1_455 yes O(2) O(4) Cl(1) O(3) -121.7(4) 1_555 1_555 1_555 1_555 yes O(2) O(4) O(1) O(3) -71.0(3) 1_555 1_555 1_555 1_555 yes O(3) Cl(1) O(1) O(4) -120.4(4) 1_555 1_555 1_555 1_555 yes O(3) Cl(1) O(2) O(4) 121.1(4) 1_555 1_555 1_555 1_555 yes O(3) O(1) Ag(2) O(9) -50.8(4) 1_555 1_555 1_555 1_555 yes O(3) O(1) Ag(2) C(13) 119.2(4) 1_555 1_555 1_555 1_555 yes O(3) O(1) Ag(2) C(14) 159.2(3) 1_555 1_555 1_555 1_555 yes O(3) O(1) Cl(1) O(4) 120.4(4) 1_555 1_555 1_555 1_555 yes O(3) O(1) O(2) O(4) 70.2(3) 1_555 1_555 1_555 1_555 yes O(3) O(2) Ag(2) O(9) -99.1(8) 1_555 1_555 1_455 1_455 yes O(3) O(2) Ag(2) C(13) 27.4(8) 1_555 1_555 1_455 1_455 yes O(3) O(2) Ag(2) C(14) 19.2(9) 1_555 1_555 1_455 1_455 yes O(3) O(2) Cl(1) O(4) -121.1(4) 1_555 1_555 1_555 1_555 yes O(3) O(2) O(1) O(4) -70.2(3) 1_555 1_555 1_555 1_555 yes O(3) O(4) Ag(1) O(9) -115.4(3) 1_555 1_555 1_565 1_455 yes O(4) O(1) Ag(2) O(9) 2.1(3) 1_555 1_555 1_555 1_555 yes O(4) O(1) Ag(2) C(13) 172.0(3) 1_555 1_555 1_555 1_555 yes O(4) O(1) Ag(2) C(14) -148.0(2) 1_555 1_555 1_555 1_555 yes O(4) O(2) Ag(2) O(9) -42.3(3) 1_555 1_555 1_455 1_455 yes O(4) O(2) Ag(2) C(13) 84.2(3) 1_555 1_555 1_455 1_455 yes O(4) O(2) Ag(2) C(14) 75.9(3) 1_555 1_555 1_455 1_455 yes O(5) Cl(2) O(6) O(7) 109(1) 1_555 1_555 1_555 1_555 yes O(5) Cl(2) O(6) O(8) -126.3(10) 1_555 1_555 1_555 1_555 yes O(5) Cl(2) O(7) O(6) -122.9(9) 1_555 1_555 1_555 1_555 yes O(5) Cl(2) O(7) O(8) 111.1(7) 1_555 1_555 1_555 1_555 yes O(5) Cl(2) O(8) O(6) 132(1) 1_555 1_555 1_555 1_555 yes O(5) Cl(2) O(8) O(7) -105(1) 1_555 1_555 1_555 1_555 yes O(5) O(6) Cl(2) O(7) -109(1) 1_555 1_555 1_555 1_555 yes O(5) O(6) Cl(2) O(8) 126.3(10) 1_555 1_555 1_555 1_555 yes O(5) O(6) O(7) O(8) 68.5(5) 1_555 1_555 1_555 1_555 yes O(5) O(6) O(8) O(7) -63.4(10) 1_555 1_555 1_555 1_555 yes O(5) O(7) Cl(2) O(6) 122.9(9) 1_555 1_555 1_555 1_555 yes O(5) O(7) Cl(2) O(8) -111.1(7) 1_555 1_555 1_555 1_555 yes O(5) O(7) O(6) O(8) -68.5(5) 1_555 1_555 1_555 1_555 yes O(5) O(7) O(8) O(6) 77.5(8) 1_555 1_555 1_555 1_555 yes O(5) O(8) Cl(2) O(6) -132(1) 1_555 1_555 1_555 1_555 yes O(5) O(8) Cl(2) O(7) 105(1) 1_555 1_555 1_555 1_555 yes O(5) O(8) O(6) O(7) 63.4(10) 1_555 1_555 1_555 1_555 yes O(5) O(8) O(7) O(6) -77.5(8) 1_555 1_555 1_555 1_555 yes O(6) Cl(2) O(5) O(7) -114.0(9) 1_555 1_555 1_555 1_555 yes O(6) Cl(2) O(5) O(8) 130.2(9) 1_555 1_555 1_555 1_555 yes O(6) Cl(2) O(7) O(8) -126(1) 1_555 1_555 1_555 1_555 yes O(6) Cl(2) O(8) O(7) 121(1) 1_555 1_555 1_555 1_555 yes O(6) O(5) Ag(1) O(9) -175.1(8) 1_555 1_555 1_665 1_555 yes O(6) O(5) Cl(2) O(7) 114.0(9) 1_555 1_555 1_555 1_555 yes O(6) O(5) Cl(2) O(8) -130.2(9) 1_555 1_555 1_555 1_555 yes O(6) O(5) O(7) O(8) -71.0(6) 1_555 1_555 1_555 1_555 yes O(6) O(5) O(8) O(7) 66.5(6) 1_555 1_555 1_555 1_555 yes O(6) O(7) Cl(2) O(8) 126(1) 1_555 1_555 1_555 1_555 yes O(6) O(7) O(5) O(8) 71.0(6) 1_555 1_555 1_555 1_555 yes O(6) O(8) Cl(2) O(7) -121(1) 1_555 1_555 1_555 1_555 yes O(6) O(8) O(5) O(7) -66.5(6) 1_555 1_555 1_555 1_555 yes O(7) Cl(2) O(5) O(8) -115.8(7) 1_555 1_555 1_555 1_555 yes O(7) Cl(2) O(6) O(8) 124(1) 1_555 1_555 1_555 1_555 yes O(7) O(5) Ag(1) O(9) -112.8(8) 1_555 1_555 1_665 1_555 yes O(7) O(5) Cl(2) O(8) 115.8(7) 1_555 1_555 1_555 1_555 yes O(7) O(5) O(6) O(8) 76.2(7) 1_555 1_555 1_555 1_555 yes O(7) O(6) Cl(2) O(8) -124(1) 1_555 1_555 1_555 1_555 yes O(7) O(6) O(5) O(8) -76.2(7) 1_555 1_555 1_555 1_555 yes O(8) O(5) Ag(1) O(9) -161(5) 1_555 1_555 1_665 1_555 yes O(9) Ag(2) C(13) C(11) -175.0(3) 1_555 1_555 1_555 1_555 yes O(9) Ag(2) C(13) C(12) 155.7(4) 1_555 1_555 1_555 1_555 yes O(9) Ag(2) C(13) C(14) -87.1(4) 1_555 1_555 1_555 1_555 yes O(9) Ag(2) C(13) C(15) -116.1(3) 1_555 1_555 1_555 1_555 yes O(9) Ag(2) C(14) C(10) -160.2(2) 1_555 1_555 1_555 1_555 yes O(9) Ag(2) C(14) C(11) 171.7(2) 1_555 1_555 1_555 1_555 yes O(9) Ag(2) C(14) C(12) 145.9(3) 1_555 1_555 1_555 1_555 yes O(9) Ag(2) C(14) C(13) 114.2(5) 1_555 1_555 1_555 1_555 yes O(9) Ag(2) C(14) C(15) -129.3(4) 1_555 1_555 1_555 1_555 yes O(9) Ag(2) C(14) C(16) -98.0(3) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(3) C(4) -3(1) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(3) C(5) -1.6(8) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(3) C(18) -0.3(6) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(4) C(3) 177.1(10) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(4) C(5) 0.1(6) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(4) C(6) 0.7(6) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(4) C(18) 0.7(4) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(5) C(3) 178.4(7) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(5) C(4) -179.9(7) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(5) C(6) 144(17) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(5) C(7) 9.0(9) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(5) C(17) 2.8(5) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(5) C(18) 1.1(5) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(18) C(3) 179.5(10) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(18) C(4) -178.7(8) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(18) C(5) -178.1(8) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(18) C(6) -178.8(8) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(18) C(8) 109(5) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(18) C(16) 3.8(8) 1_555 1_555 1_555 1_555 yes C(1) C(2) C(18) C(17) 7(1) 1_555 1_555 1_555 1_555 yes C(1) C(3) Ag(1) C(4) 88.5(5) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(2) C(4) 3(1) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(2) C(5) 1.6(8) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(2) C(18) 0.3(6) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(4) C(2) -1.6(6) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(4) C(5) 1.7(7) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(4) C(6) 4(1) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(4) C(18) 1.4(3) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(5) C(2) -0.9(4) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(5) C(4) -178.0(8) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(5) C(6) 177.3(10) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(5) C(7) 115(4) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(5) C(17) 4.3(4) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(5) C(18) 1.5(4) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(18) C(2) -0.3(5) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(18) C(4) -177.2(7) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(18) C(5) -177.5(6) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(18) C(6) -178.8(5) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(18) C(8) 172.2(8) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(18) C(16) 7.6(7) 1_555 1_555 1_555 1_555 yes C(1) C(3) C(18) C(17) 94(7) 1_555 1_555 1_555 1_555 yes C(1) C(4) Ag(1) C(3) -58.9(5) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(2) C(3) -177.1(10) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(2) C(5) -0.1(6) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(2) C(18) -0.7(4) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(3) C(2) 1.6(6) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(3) C(5) -1.7(7) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(3) C(18) -1.4(3) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(5) C(2) 0.0(3) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(5) C(3) 1.7(7) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(5) C(6) 179.0(7) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(5) C(7) 172.4(9) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(5) C(17) 5.8(9) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(5) C(18) 1.1(4) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(6) C(5) -0.9(6) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(6) C(7) 11(1) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(6) C(8) 4.9(4) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(6) C(18) 0.3(2) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(18) C(2) 0.6(4) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(18) C(3) 2.4(6) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(18) C(5) -178.2(8) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(18) C(6) -179.4(5) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(18) C(8) 176.1(5) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(18) C(16) 146(5) 1_555 1_555 1_555 1_555 yes C(1) C(4) C(18) C(17) 174(1) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(2) C(3) -178.4(7) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(2) C(4) 179.9(7) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(2) C(18) -1.1(5) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(3) C(2) 0.9(4) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(3) C(4) 178.0(8) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(3) C(18) -1.5(4) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(4) C(2) 0.0(3) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(4) C(3) -1.7(7) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(4) C(6) -179.0(7) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(4) C(18) -1.1(4) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(6) C(4) 177(1) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(6) C(7) 5(1) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(6) C(8) 2(1) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(6) C(18) -0.1(7) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(7) C(6) -177.1(8) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(7) C(8) -1.1(5) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(7) C(9) 0.5(6) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(7) C(17) -1.8(4) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(17) C(7) 178.3(3) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(17) C(8) 177.5(4) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(17) C(9) 175.9(4) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(17) C(15) 145(9) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(17) C(16) -2.0(9) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(17) C(18) -1.3(5) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(18) C(2) 1.0(5) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(18) C(3) 2.4(6) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(18) C(4) 2.1(8) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(18) C(6) 179.9(6) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(18) C(8) 177.1(6) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(18) C(16) 178(1) 1_555 1_555 1_555 1_555 yes C(1) C(5) C(18) C(17) 177.8(9) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(5) C(2) -1.6(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(5) C(3) -4.1(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(5) C(4) -6.5(10) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(5) C(6) 179.5(5) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(5) C(7) -178.3(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(5) C(18) 1.3(5) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(7) C(5) 1.6(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(7) C(6) 4.1(6) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(7) C(8) -176.9(6) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(7) C(9) -176.0(4) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(8) C(6) 5.6(8) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(8) C(7) 5(1) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(8) C(9) -173.4(6) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(8) C(10) -174.0(7) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(8) C(15) -175.2(8) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(8) C(16) -175(1) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(8) C(18) 3.1(5) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(9) C(7) 42(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(9) C(8) 43(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(9) C(10) -137(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(9) C(11) -136(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(9) C(15) -138(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(9) C(16) -138(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(15) C(8) 176.8(5) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(15) C(9) 175.7(4) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(15) C(10) 174.7(4) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(15) C(11) 174.3(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(15) C(13) -64(12) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(15) C(14) -9.4(10) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(15) C(16) -4.7(6) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(16) C(8) 177.8(6) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(16) C(9) 176.5(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(16) C(10) 175.8(3) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(16) C(14) 179.0(8) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(16) C(15) 176.1(5) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(16) C(18) -1.3(4) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(18) C(2) -4.4(6) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(18) C(3) -91(7) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(18) C(4) -173(1) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(18) C(5) -177.7(9) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(18) C(6) -178.8(6) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(18) C(8) -176.3(5) 1_555 1_555 1_555 1_555 yes C(1) C(17) C(18) C(16) 2.7(9) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(2) C(3) -179.5(10) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(2) C(4) 178.7(8) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(2) C(5) 178.1(8) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(3) C(2) 0.3(5) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(3) C(4) 177.2(7) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(3) C(5) 177.5(6) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(4) C(2) -0.6(4) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(4) C(3) -2.4(6) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(4) C(5) 178.2(8) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(4) C(6) 179.4(5) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(5) C(2) -1.0(5) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(5) C(3) -2.4(6) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(5) C(4) -2.1(8) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(5) C(6) -179.9(6) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(5) C(7) -177.4(5) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(5) C(17) -177.8(9) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(6) C(4) -1.1(9) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(6) C(5) 0(1) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(6) C(7) -175.4(9) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(6) C(8) -176.6(9) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(8) C(6) 176(1) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(8) C(7) 175.0(10) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(8) C(9) 0(1) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(8) C(10) -3(1) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(8) C(15) -5(1) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(8) C(16) -6.2(10) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(8) C(17) -6.7(10) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(16) C(8) 177.1(5) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(16) C(9) 175.7(4) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(16) C(10) 174.3(4) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(16) C(14) -13(26) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(16) C(15) 173.2(9) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(16) C(17) 177.7(7) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(17) C(5) 177.7(9) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(17) C(7) 177.3(5) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(17) C(8) 176.3(5) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(17) C(9) 173.1(6) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(17) C(15) 0(1) 1_555 1_555 1_555 1_555 yes C(1) C(18) C(17) C(16) -2.7(9) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(3) C(4) 177.1(10) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(3) C(5) 178.1(9) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(3) C(18) 179.5(10) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(4) C(3) -1.7(6) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(4) C(5) -179.9(7) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(4) C(6) -179.4(5) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(4) C(18) -178.9(7) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(5) C(3) -0.9(4) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(5) C(4) 0.1(6) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(5) C(6) -178.0(10) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(5) C(7) -175.1(5) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(5) C(17) -176.9(5) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(5) C(18) -178.2(8) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(17) C(5) 6(1) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(17) C(7) 4(1) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(17) C(8) 1(1) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(17) C(9) -36(4) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(17) C(15) -172(1) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(17) C(16) -174(1) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(17) C(18) 7(1) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(18) C(3) -0.3(5) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(18) C(4) 1.1(7) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(18) C(5) 2.2(10) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(18) C(6) 2(1) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(18) C(8) -171.6(7) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(18) C(16) -176.8(6) 1_555 1_555 1_555 1_555 yes C(2) C(1) C(18) C(17) -175.6(6) 1_555 1_555 1_555 1_555 yes C(2) C(3) Ag(1) C(4) 118.6(7) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(1) C(4) -177.1(10) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(1) C(5) -178.1(9) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(1) C(17) 177.8(9) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(1) C(18) -179.5(10) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(4) C(5) 3(1) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(4) C(6) 6(1) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(4) C(18) 3.1(7) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(5) C(4) -177.0(10) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(5) C(6) 178.2(9) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(5) C(7) 116(4) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(5) C(17) 5.2(6) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(5) C(18) 2.4(5) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(18) C(4) -176.9(8) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(18) C(5) -177.2(6) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(18) C(6) -178.5(5) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(18) C(8) 172.4(6) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(18) C(16) 7.8(8) 1_555 1_555 1_555 1_555 yes C(2) C(3) C(18) C(17) 94(7) 1_555 1_555 1_555 1_555 yes C(2) C(4) Ag(1) C(3) -31.6(5) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(1) C(3) 1.7(6) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(1) C(5) 179.9(7) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(1) C(17) 177.3(6) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(1) C(18) 178.9(7) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(3) C(5) -3(1) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(3) C(18) -3.1(7) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(5) C(3) 1.7(5) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(5) C(6) 178.9(5) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(5) C(7) 172.3(8) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(5) C(17) 5(1) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(5) C(18) 1.1(6) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(6) C(5) -1.3(6) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(6) C(7) 11(1) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(6) C(8) 4.5(6) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(6) C(18) -0.1(4) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(18) C(3) 1.8(4) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(18) C(5) -178.8(7) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(18) C(6) 179.9(4) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(18) C(8) 175.5(4) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(18) C(16) 145(5) 1_555 1_555 1_555 1_555 yes C(2) C(4) C(18) C(17) 173.8(9) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(1) C(3) 0.9(4) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(1) C(4) -0.1(6) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(1) C(17) 176.9(5) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(1) C(18) 178.2(8) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(3) C(4) 177.0(10) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(3) C(18) -2.4(5) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(4) C(3) -1.7(5) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(4) C(6) -178.9(5) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(4) C(18) -1.1(6) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(6) C(4) 35(17) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(6) C(7) -137(17) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(6) C(8) -139(17) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(6) C(18) -142(18) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(7) C(6) 177(1) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(7) C(8) -6.3(9) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(7) C(9) -4.7(9) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(7) C(17) -7.1(7) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(17) C(7) 176.7(3) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(17) C(8) 175.9(4) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(17) C(9) 174.3(3) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(17) C(15) 143(9) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(17) C(16) -3.6(10) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(17) C(18) -2.9(5) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(18) C(3) 1.4(3) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(18) C(4) 1.0(6) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(18) C(6) 178.9(5) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(18) C(8) 176.1(3) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(18) C(16) 177.1(8) 1_555 1_555 1_555 1_555 yes C(2) C(5) C(18) C(17) 176.7(6) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(1) C(3) 0.3(5) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(1) C(4) -1.1(7) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(1) C(5) -2.2(10) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(1) C(17) 175.6(6) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(3) C(4) 176.9(8) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(3) C(5) 177.2(6) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(4) C(3) -1.8(4) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(4) C(5) 178.8(7) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(4) C(6) -179.9(4) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(5) C(3) -1.4(3) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(5) C(4) -1.0(6) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(5) C(6) -178.9(5) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(5) C(7) -176.4(3) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(5) C(17) -176.7(6) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(6) C(4) 0.1(4) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(6) C(5) 1.3(6) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(6) C(7) -174.2(5) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(6) C(8) -175.4(4) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(8) C(6) 73(5) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(8) C(7) 72(5) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(8) C(9) -102(5) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(8) C(10) -105(5) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(8) C(15) -107(5) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(8) C(16) -108(5) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(8) C(17) -109(5) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(16) C(8) 175.3(4) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(16) C(9) 173.9(3) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(16) C(10) 172.5(3) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(16) C(14) -15(26) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(16) C(15) 171.4(8) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(16) C(17) 175.8(7) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(17) C(5) 173(1) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(17) C(7) 172.9(8) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(17) C(8) 172.0(7) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(17) C(9) 168.7(6) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(17) C(15) -4(1) 1_555 1_555 1_555 1_555 yes C(2) C(18) C(17) C(16) -7(1) 1_555 1_555 1_555 1_555 yes C(3) Ag(1) C(4) C(5) -114.2(9) 1_555 1_555 1_555 1_555 yes C(3) Ag(1) C(4) C(6) -148.0(7) 1_555 1_555 1_555 1_555 yes C(3) Ag(1) C(4) C(18) -85.9(6) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(2) C(4) -1.7(6) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(2) C(5) -1.7(8) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(2) C(18) 0(1) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(4) C(5) -178.3(7) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(4) C(6) -177.7(6) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(4) C(18) -177.2(7) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(5) C(4) 1.0(4) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(5) C(6) -177(1) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(5) C(7) -174.1(4) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(5) C(17) -175.9(3) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(5) C(18) -177.2(7) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(17) C(5) 4.1(3) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(17) C(7) 2.5(5) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(17) C(8) -0.4(9) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(17) C(9) -38(3) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(17) C(15) -174.5(4) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(17) C(16) -176.8(5) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(17) C(18) 5.5(6) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(18) C(4) 1.4(3) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(18) C(5) 2.4(6) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(18) C(6) 2.4(10) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(18) C(8) -171.3(8) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(18) C(16) -176.6(3) 1_555 1_555 1_555 1_555 yes C(3) C(1) C(18) C(17) -175.3(5) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(1) C(4) 1.7(6) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(1) C(5) 1.7(8) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(1) C(17) -3(1) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(1) C(18) 0(1) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(4) C(5) -177.1(9) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(4) C(6) -176.4(9) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(4) C(18) -176.5(9) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(5) C(4) 1.7(6) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(5) C(6) -34(17) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(5) C(7) -169.4(7) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(5) C(17) -175.6(5) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(5) C(18) -177.3(6) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(18) C(4) 1.8(4) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(18) C(5) 2.4(5) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(18) C(6) 1.7(6) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(18) C(8) -69(5) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(18) C(16) -175.7(5) 1_555 1_555 1_555 1_555 yes C(3) C(2) C(18) C(17) -171.8(8) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(1) C(5) 178.3(7) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(1) C(17) 175.6(5) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(1) C(18) 177.2(7) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(2) C(5) 177.1(9) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(2) C(18) 176.5(9) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(5) C(6) 177.2(7) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(5) C(7) 170.6(7) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(5) C(17) 4(1) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(5) C(18) -0.6(10) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(6) C(5) -5(1) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(6) C(7) 7(1) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(6) C(8) 0(1) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(6) C(18) -3(1) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(18) C(5) 179.4(8) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(18) C(6) 178.2(5) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(18) C(8) 173.7(4) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(18) C(16) 143(5) 1_555 1_555 1_555 1_555 yes C(3) C(4) C(18) C(17) 172.1(8) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(1) C(4) -1.0(4) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(1) C(17) 175.9(3) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(1) C(18) 177.2(7) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(2) C(4) -1.7(6) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(2) C(18) 177.3(6) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(4) C(6) -177.2(7) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(4) C(18) 0.6(10) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(6) C(4) 2.7(6) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(6) C(7) -170.0(7) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(6) C(8) -172.3(8) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(6) C(18) -175(1) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(7) C(6) 70(4) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(7) C(8) -113(4) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(7) C(9) -111(4) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(7) C(17) -113(4) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(17) C(7) 174.1(4) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(17) C(8) 173.4(4) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(17) C(9) 171.8(3) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(17) C(15) 140(9) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(17) C(16) -6(1) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(17) C(18) -5.4(5) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(18) C(4) -0.3(5) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(18) C(6) 177.5(7) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(18) C(8) 174.7(3) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(18) C(16) 175.7(7) 1_555 1_555 1_555 1_555 yes C(3) C(5) C(18) C(17) 175.4(5) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(1) C(4) -1.4(3) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(1) C(5) -2.4(6) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(1) C(17) 175.3(5) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(2) C(4) -1.8(4) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(2) C(5) -2.4(5) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(4) C(5) -179.4(8) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(4) C(6) -178.2(5) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(5) C(4) 0.3(5) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(5) C(6) -177.5(7) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(5) C(7) -175.0(4) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(5) C(17) -175.4(5) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(6) C(4) 0.9(3) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(6) C(5) 2.1(6) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(6) C(7) -173.3(5) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(6) C(8) -174.6(3) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(8) C(6) 10.6(6) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(8) C(7) 9.4(7) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(8) C(9) -166.0(8) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(8) C(10) -168.9(5) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(8) C(15) -170.8(5) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(8) C(16) -171.8(6) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(8) C(17) -172.3(8) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(16) C(8) 170.7(7) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(16) C(9) 169.3(6) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(16) C(10) 167.8(5) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(16) C(14) -19(27) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(16) C(15) 166.8(8) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(16) C(17) 171.2(9) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(17) C(5) 86(7) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(17) C(7) 85(7) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(17) C(8) 84(7) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(17) C(9) 81(7) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(17) C(15) -91(7) 1_555 1_555 1_555 1_555 yes C(3) C(18) C(17) C(16) -94(7) 1_555 1_555 1_555 1_555 yes C(4) Ag(1) C(3) C(5) 29.0(4) 1_555 1_555 1_555 1_555 yes C(4) Ag(1) C(3) C(18) 57.9(4) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(2) C(5) 0.0(3) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(2) C(18) 1.1(7) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(3) C(5) 1.0(4) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(3) C(18) 2.4(6) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(5) C(6) -178(1) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(5) C(7) -175.1(6) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(5) C(17) -176.9(5) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(5) C(18) -178.2(7) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(17) C(5) 1.5(2) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(17) C(7) -0.1(4) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(17) C(8) -3.0(8) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(17) C(9) -41(3) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(17) C(15) -177.1(3) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(17) C(16) -179.4(4) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(17) C(18) 2.9(5) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(18) C(5) 1.0(4) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(18) C(6) 1.0(8) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(18) C(8) -172(1) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(18) C(16) -178.0(3) 1_555 1_555 1_555 1_555 yes C(4) C(1) C(18) C(17) -176.7(6) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(1) C(5) 0.0(3) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(1) C(17) -5(1) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(1) C(18) -1.1(7) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(3) C(5) 1.7(5) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(3) C(18) 3.0(7) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(5) C(6) -35(17) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(5) C(7) -171.1(9) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(5) C(17) -177.3(5) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(5) C(18) -179.0(6) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(18) C(5) 0.6(3) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(18) C(6) -0.1(4) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(18) C(8) -71(5) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(18) C(16) -177.5(4) 1_555 1_555 1_555 1_555 yes C(4) C(2) C(18) C(17) -173.6(9) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(1) C(5) -1.0(4) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(1) C(17) -5.1(6) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(1) C(18) -2.4(6) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(2) C(5) -1.7(5) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(2) C(18) -3.0(7) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(5) C(6) -4(1) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(5) C(7) -66(4) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(5) C(17) -177.7(8) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(5) C(18) 179.5(8) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(18) C(5) -0.3(5) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(18) C(6) -1.6(5) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(18) C(8) -10.7(7) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(18) C(16) -175.3(7) 1_555 1_555 1_555 1_555 yes C(4) C(3) C(18) C(17) -88(7) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(1) C(17) 176.9(5) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(1) C(18) 178.2(7) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(2) C(18) 179.0(6) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(3) C(18) -179.5(8) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(6) C(7) -172.7(7) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(6) C(8) -175.0(5) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(6) C(18) -177.9(9) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(7) C(6) 12(1) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(7) C(8) -172.0(9) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(7) C(9) -170.4(8) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(7) C(17) -172.7(9) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(17) C(7) 171(1) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(17) C(8) 171.0(10) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(17) C(9) 169.4(9) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(17) C(15) 138(9) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(17) C(16) -8(1) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(17) C(18) -7(1) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(18) C(6) 177.8(10) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(18) C(8) 175.0(5) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(18) C(16) 176.0(6) 1_555 1_555 1_555 1_555 yes C(4) C(5) C(18) C(17) 175.7(6) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(5) C(7) 172.7(7) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(5) C(17) 176.8(6) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(5) C(18) 177.9(9) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(7) C(5) -7.1(6) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(7) C(8) -11(1) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(7) C(9) -11(2) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(7) C(17) -11(1) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(8) C(7) 173.1(9) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(8) C(9) 172.3(8) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(8) C(10) 163(9) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(8) C(15) -7.4(9) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(8) C(16) -6.9(6) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(8) C(17) -6.0(5) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(8) C(18) -4.5(3) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(18) C(5) -1.2(5) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(18) C(8) 175.5(3) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(18) C(16) 177.7(4) 1_555 1_555 1_555 1_555 yes C(4) C(6) C(18) C(17) 176.9(4) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(1) C(5) -1.0(4) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(1) C(17) 176.7(6) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(2) C(5) -0.6(3) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(3) C(5) 0.3(5) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(5) C(6) -177.8(10) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(5) C(7) -175.3(7) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(5) C(17) -175.7(6) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(6) C(5) 1.2(5) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(6) C(7) -174.3(5) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(6) C(8) -175.5(3) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(8) C(6) 4.5(3) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(8) C(7) 3.3(5) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(8) C(9) -172.0(8) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(8) C(10) -175.0(3) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(8) C(15) -176.9(3) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(8) C(16) -177.8(4) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(8) C(17) -178.3(6) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(16) C(8) 31(5) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(16) C(9) 29(5) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(16) C(10) 28(5) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(16) C(14) -159(24) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(16) C(15) 27(6) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(16) C(17) 31(5) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(17) C(5) 4.2(6) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(17) C(7) 3.8(9) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(17) C(8) 2(1) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(17) C(9) 0(1) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(17) C(15) -173.5(6) 1_555 1_555 1_555 1_555 yes C(4) C(18) C(17) C(16) -176.2(6) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(2) C(18) 1.1(5) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(3) C(18) 1.4(3) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(4) C(6) 0.5(3) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(4) C(18) 1.0(4) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(17) C(7) -1.7(3) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(17) C(8) -4.5(7) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(17) C(9) -42(3) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(17) C(15) -178.7(4) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(17) C(16) 179.1(4) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(17) C(18) 1.3(5) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(18) C(6) -0.1(6) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(18) C(8) -173(1) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(18) C(16) -179.0(6) 1_555 1_555 1_555 1_555 yes C(5) C(1) C(18) C(17) -177.7(9) 1_555 1_555 1_555 1_555 yes C(5) C(2) C(1) C(17) -5.5(9) 1_555 1_555 1_555 1_555 yes C(5) C(2) C(1) C(18) -1.1(5) 1_555 1_555 1_555 1_555 yes C(5) C(2) C(3) C(18) 1.4(3) 1_555 1_555 1_555 1_555 yes C(5) C(2) C(4) C(6) 0.7(3) 1_555 1_555 1_555 1_555 yes C(5) C(2) C(4) C(18) 0.6(3) 1_555 1_555 1_555 1_555 yes C(5) C(2) C(18) C(6) -0.7(3) 1_555 1_555 1_555 1_555 yes C(5) C(2) C(18) C(8) -71(5) 1_555 1_555 1_555 1_555 yes C(5) C(2) C(18) C(16) -178.1(5) 1_555 1_555 1_555 1_555 yes C(5) C(2) C(18) C(17) -174(1) 1_555 1_555 1_555 1_555 yes C(5) C(3) C(1) C(17) -4.1(3) 1_555 1_555 1_555 1_555 yes C(5) C(3) C(1) C(18) -1.4(3) 1_555 1_555 1_555 1_555 yes C(5) C(3) C(2) C(18) -1.4(3) 1_555 1_555 1_555 1_555 yes C(5) C(3) C(4) C(6) 3.0(7) 1_555 1_555 1_555 1_555 yes C(5) C(3) C(4) C(18) -0.3(5) 1_555 1_555 1_555 1_555 yes C(5) C(3) C(18) C(6) -1.3(3) 1_555 1_555 1_555 1_555 yes C(5) C(3) C(18) C(8) -10.3(5) 1_555 1_555 1_555 1_555 yes C(5) C(3) C(18) C(16) -174.9(8) 1_555 1_555 1_555 1_555 yes C(5) C(3) C(18) C(17) -88(7) 1_555 1_555 1_555 1_555 yes C(5) C(4) C(1) C(17) -2.7(4) 1_555 1_555 1_555 1_555 yes C(5) C(4) C(1) C(18) -1.0(4) 1_555 1_555 1_555 1_555 yes C(5) C(4) C(2) C(18) -0.6(3) 1_555 1_555 1_555 1_555 yes C(5) C(4) C(3) C(18) 0.3(5) 1_555 1_555 1_555 1_555 yes C(5) C(4) C(6) C(7) 12(1) 1_555 1_555 1_555 1_555 yes C(5) C(4) C(6) C(8) 5.8(6) 1_555 1_555 1_555 1_555 yes C(5) C(4) C(6) C(18) 1.2(5) 1_555 1_555 1_555 1_555 yes C(5) C(4) C(18) C(6) -1.3(6) 1_555 1_555 1_555 1_555 yes C(5) C(4) C(18) C(8) -5.7(6) 1_555 1_555 1_555 1_555 yes C(5) C(4) C(18) C(16) -35(5) 1_555 1_555 1_555 1_555 yes C(5) C(4) C(18) C(17) -7.4(10) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(4) C(18) -1.2(5) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(7) C(8) -4(1) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(7) C(9) -4(1) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(7) C(17) -4.1(7) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(8) C(7) 175.9(9) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(8) C(9) 175.2(8) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(8) C(10) 165(9) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(8) C(15) -4.5(8) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(8) C(16) -4.0(5) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(8) C(17) -3.1(5) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(8) C(18) -1.6(3) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(18) C(8) 176.7(7) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(18) C(16) 178.9(7) 1_555 1_555 1_555 1_555 yes C(5) C(6) C(18) C(17) 178.1(7) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(6) C(8) 4(1) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(6) C(18) 2.5(5) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(8) C(6) -2.4(5) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(8) C(9) 177.1(5) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(8) C(10) 176.9(7) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(8) C(15) -44(82) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(8) C(16) -2.4(9) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(8) C(17) -1.3(6) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(8) C(18) -0.3(3) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(9) C(8) -3.3(6) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(9) C(10) -2(1) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(9) C(11) 167(28) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(9) C(15) -3.6(6) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(9) C(16) -3.1(4) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(9) C(17) -2.4(3) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(17) C(8) 178.5(6) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(17) C(9) 177.6(3) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(17) C(15) 178.8(4) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(17) C(16) -179.7(8) 1_555 1_555 1_555 1_555 yes C(5) C(7) C(17) C(18) 0.2(3) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(1) C(18) -1.3(5) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(7) C(6) 2.4(4) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(7) C(8) -178.5(6) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(7) C(9) -177.6(3) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(8) C(6) 1.8(3) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(8) C(7) 1.3(5) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(8) C(9) -177.2(5) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(8) C(10) -177.8(3) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(8) C(15) -179.0(3) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(8) C(16) -179.8(6) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(8) C(18) -0.6(4) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(9) C(7) 2.3(3) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(9) C(8) 3.2(6) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(9) C(10) -177.9(4) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(9) C(11) -177.5(3) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(9) C(15) -178.9(4) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(9) C(16) -179.1(5) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(15) C(8) 32(9) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(15) C(9) 31(9) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(15) C(10) 30(9) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(15) C(11) 30(9) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(15) C(13) 150(11) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(15) C(14) -153(9) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(15) C(16) -148(9) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(16) C(8) 179(1) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(16) C(9) 178.2(10) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(16) C(10) 177.5(8) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(16) C(14) -179.3(6) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(16) C(15) 177.9(7) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(16) C(18) 0.4(6) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(18) C(6) -1.1(4) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(18) C(8) 1.3(8) 1_555 1_555 1_555 1_555 yes C(5) C(17) C(18) C(16) -179.6(5) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(1) C(17) 177.7(9) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(4) C(6) 1.3(6) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(6) C(7) -175.5(8) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(6) C(8) -176.7(7) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(8) C(6) 1.7(4) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(8) C(7) 0.5(5) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(8) C(9) -174.9(9) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(8) C(10) -177.8(4) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(8) C(15) -179.7(3) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(8) C(16) 179.3(4) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(8) C(17) 178.8(7) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(16) C(8) -1.2(7) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(16) C(9) -2.6(8) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(16) C(10) -4.0(9) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(16) C(14) 168(26) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(16) C(15) -5(1) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(16) C(17) -0.7(8) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(17) C(7) -0.4(5) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(17) C(8) -1.3(8) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(17) C(9) -4(1) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(17) C(15) -177.7(7) 1_555 1_555 1_555 1_555 yes C(5) C(18) C(17) C(16) 179.6(5) 1_555 1_555 1_555 1_555 yes C(6) C(4) C(1) C(17) -2.1(3) 1_555 1_555 1_555 1_555 yes C(6) C(4) C(1) C(18) -0.5(4) 1_555 1_555 1_555 1_555 yes C(6) C(4) C(2) C(18) 0.1(4) 1_555 1_555 1_555 1_555 yes C(6) C(4) C(3) C(18) 3.3(10) 1_555 1_555 1_555 1_555 yes C(6) C(4) C(5) C(7) -6.6(6) 1_555 1_555 1_555 1_555 yes C(6) C(4) C(5) C(17) -173(1) 1_555 1_555 1_555 1_555 yes C(6) C(4) C(5) C(18) -177.9(10) 1_555 1_555 1_555 1_555 yes C(6) C(4) C(18) C(8) -4.4(3) 1_555 1_555 1_555 1_555 yes C(6) C(4) C(18) C(16) -34(5) 1_555 1_555 1_555 1_555 yes C(6) C(4) C(18) C(17) -6.1(8) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(1) C(17) -1.1(10) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(1) C(18) 0(1) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(2) C(18) 143(17) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(3) C(18) 175(1) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(4) C(18) 177.9(10) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(7) C(8) 176.0(9) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(7) C(9) 177.6(9) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(7) C(17) 175.3(8) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(17) C(7) -2.3(4) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(17) C(8) -3.0(5) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(17) C(9) -4.6(5) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(17) C(15) -35(9) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(17) C(16) 177.4(9) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(17) C(18) 178.1(7) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(18) C(8) -2.8(6) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(18) C(16) -1(1) 1_555 1_555 1_555 1_555 yes C(6) C(5) C(18) C(17) -2.1(8) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(5) C(17) -175.3(8) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(5) C(18) -175.5(8) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(8) C(9) 179.6(7) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(8) C(10) 179.3(7) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(8) C(15) -42(82) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(8) C(16) 0(1) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(8) C(17) 1.1(9) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(8) C(18) 2.1(7) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(9) C(8) 0(1) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(9) C(10) 0(1) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(9) C(11) 170(28) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(9) C(15) -1(1) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(9) C(16) 0(1) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(9) C(17) 0(1) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(17) C(8) -179.1(8) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(17) C(9) -179.9(5) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(17) C(15) -178.8(5) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(17) C(16) -177.3(8) 1_555 1_555 1_555 1_555 yes C(6) C(7) C(17) C(18) 2.7(5) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(7) C(9) -179.6(7) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(7) C(17) -1.1(9) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(9) C(7) 0.4(6) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(9) C(10) -179.3(6) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(9) C(11) -179.4(6) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(9) C(15) -179.8(8) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(9) C(16) -179.3(9) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(9) C(17) -178(1) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(10) C(9) 9(9) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(10) C(11) 9(10) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(10) C(12) 97(23) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(10) C(14) -173(9) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(10) C(15) -171(9) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(10) C(16) -170(9) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(15) C(9) 179.8(8) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(15) C(10) 179.3(7) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(15) C(11) 179.6(6) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(15) C(13) -175.4(6) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(15) C(14) -108(7) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(15) C(16) 0.9(7) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(15) C(17) 1.7(6) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(16) C(9) 179.6(6) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(16) C(10) 179.6(4) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(16) C(14) -177.5(3) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(16) C(15) -179.5(4) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(16) C(17) 1.9(6) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(16) C(18) 2.4(3) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(17) C(7) 0.5(4) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(17) C(9) 179.0(6) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(17) C(15) -179.2(3) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(17) C(16) -178.4(5) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(17) C(18) 2.5(5) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(18) C(16) -177.7(3) 1_555 1_555 1_555 1_555 yes C(6) C(8) C(18) C(17) -177.2(6) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(1) C(17) 177(1) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(5) C(7) 2.5(5) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(5) C(17) 2.1(8) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(8) C(7) -1.2(4) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(8) C(9) -176.6(10) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(8) C(10) -179.5(4) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(8) C(15) 178.6(3) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(8) C(16) 177.7(3) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(8) C(17) 177.2(6) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(16) C(8) -2.2(3) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(16) C(9) -3.6(4) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(16) C(10) -5.1(5) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(16) C(14) 167(26) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(16) C(15) -6(1) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(16) C(17) -1.7(6) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(17) C(7) -1.5(3) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(17) C(8) -2.4(5) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(17) C(9) -5.7(8) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(17) C(15) -178.8(8) 1_555 1_555 1_555 1_555 yes C(6) C(18) C(17) C(16) 178.5(5) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(1) C(17) 1.8(4) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(1) C(18) 3.1(6) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(2) C(18) 7.9(7) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(3) C(18) 113(4) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(4) C(18) 171(1) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(6) C(8) -2.3(5) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(6) C(18) -5.2(10) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(17) C(8) -0.8(3) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(17) C(9) -2.4(3) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(17) C(15) -33(9) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(17) C(16) 179.7(10) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(17) C(18) -179.6(6) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(18) C(8) -0.3(3) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(18) C(16) 0.7(8) 1_555 1_555 1_555 1_555 yes C(7) C(5) C(18) C(17) 0.4(5) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(4) C(18) 11(1) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(5) C(17) 4.1(7) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(5) C(18) 5.2(10) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(8) C(9) 0(1) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(8) C(10) -10(9) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(8) C(15) 179.5(9) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(8) C(16) -180.0(8) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(8) C(17) -179.0(8) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(8) C(18) -177.5(8) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(18) C(8) 1.2(4) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(18) C(16) 3.4(6) 1_555 1_555 1_555 1_555 yes C(7) C(6) C(18) C(17) 2.7(5) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(6) C(18) 177.5(8) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(9) C(10) -179.7(6) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(9) C(11) -179.8(8) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(9) C(15) 179.7(5) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(9) C(16) -179.8(6) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(9) C(17) -178.4(9) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(10) C(9) 0.4(10) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(10) C(11) 0(1) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(10) C(12) 88(22) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(10) C(14) 177.5(8) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(10) C(15) 179.6(9) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(10) C(16) -179.6(9) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(15) C(9) -138(82) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(15) C(10) -138(81) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(15) C(11) -138(81) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(15) C(13) -133(81) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(15) C(14) -66(83) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(15) C(16) 42(81) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(15) C(17) 43(81) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(16) C(9) 179(1) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(16) C(10) 179.6(9) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(16) C(14) -177.5(8) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(16) C(15) -179.5(9) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(16) C(17) 1.8(9) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(16) C(18) 2.4(9) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(17) C(9) 178.5(9) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(17) C(15) -179.7(5) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(17) C(16) -178.9(5) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(17) C(18) 1.9(8) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(18) C(16) -178.8(4) 1_555 1_555 1_555 1_555 yes C(7) C(8) C(18) C(17) -178.3(7) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(8) C(10) 179.7(6) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(8) C(15) -179.7(5) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(8) C(16) 179.8(6) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(8) C(17) 178.4(9) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(8) C(18) 174(1) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(10) C(8) -0.3(6) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(10) C(11) 179.7(8) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(10) C(12) -178.2(7) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(10) C(14) -5(1) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(10) C(15) -1(1) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(10) C(16) -0.3(10) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(11) C(10) -170(29) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(11) C(12) -174(28) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(11) C(13) -174(28) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(11) C(14) -172(28) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(11) C(15) -171(29) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(15) C(8) 0.2(3) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(15) C(10) 179.3(7) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(15) C(11) 179.9(4) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(15) C(13) -177.1(3) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(15) C(14) -173.9(7) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(15) C(16) 1.0(5) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(15) C(17) 1.2(3) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(16) C(8) -0.1(3) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(16) C(10) 179.9(5) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(16) C(14) -177.6(3) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(16) C(15) -179.1(4) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(16) C(17) 1.2(4) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(16) C(18) 2.3(3) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(17) C(8) -0.9(5) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(17) C(15) -178.8(3) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(17) C(16) -178.6(4) 1_555 1_555 1_555 1_555 yes C(7) C(9) C(17) C(18) 4.8(7) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(1) C(18) -3.0(6) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(5) C(18) 179.6(6) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(8) C(9) -178.5(9) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(8) C(10) -179.1(6) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(8) C(15) 179.7(5) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(8) C(16) 178.9(5) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(8) C(18) -1.9(8) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(9) C(8) 0.9(5) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(9) C(10) 179.8(4) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(9) C(11) -179.9(4) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(9) C(15) 178.8(3) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(9) C(16) 178.6(4) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(15) C(8) -0.2(3) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(15) C(9) -1.2(3) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(15) C(10) -2.2(5) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(15) C(11) -2.6(5) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(15) C(13) 118(12) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(15) C(14) 173.7(8) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(15) C(16) 178.4(7) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(16) C(8) -1.0(5) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(16) C(9) -2.3(7) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(16) C(10) -3.0(8) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(16) C(14) 0(1) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(16) C(15) -2(1) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(16) C(18) 179(1) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(18) C(8) 1.0(4) 1_555 1_555 1_555 1_555 yes C(7) C(17) C(18) C(16) -180.0(6) 1_555 1_555 1_555 1_555 yes C(8) C(6) C(4) C(18) 4.6(3) 1_555 1_555 1_555 1_555 yes C(8) C(6) C(5) C(17) 1.8(3) 1_555 1_555 1_555 1_555 yes C(8) C(6) C(5) C(18) 2.9(6) 1_555 1_555 1_555 1_555 yes C(8) C(6) C(7) C(9) 0.5(7) 1_555 1_555 1_555 1_555 yes C(8) C(6) C(7) C(17) 0.6(5) 1_555 1_555 1_555 1_555 yes C(8) C(6) C(18) C(16) 2.2(3) 1_555 1_555 1_555 1_555 yes C(8) C(6) C(18) C(17) 1.4(3) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(5) C(17) 0.8(3) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(5) C(18) 0.5(5) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(6) C(18) -2.2(7) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(9) C(10) 0(1) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(9) C(11) 170(29) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(9) C(15) -0.3(6) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(9) C(16) 0.2(6) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(9) C(17) 0.9(5) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(17) C(9) -0.9(5) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(17) C(15) 0.3(6) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(17) C(16) 1.8(9) 1_555 1_555 1_555 1_555 yes C(8) C(7) C(17) C(18) -178.3(7) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(7) C(17) -0.9(5) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(10) C(11) -180.0(6) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(10) C(12) -178.0(7) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(10) C(14) -4(1) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(10) C(15) -1.0(8) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(10) C(16) 0.0(6) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(11) C(10) 0(1) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(11) C(12) -3(1) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(11) C(13) -3(1) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(11) C(14) -2(1) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(11) C(15) -0.6(9) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(15) C(10) 179.2(7) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(15) C(11) 179.7(5) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(15) C(13) -177.3(4) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(15) C(14) -174.0(8) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(15) C(16) 0.9(5) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(15) C(17) 1.1(3) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(16) C(10) 180.0(6) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(16) C(14) -177.5(4) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(16) C(15) -179.0(5) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(16) C(17) 1.3(4) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(16) C(18) 2.4(4) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(17) C(15) -177.9(6) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(17) C(16) -177.7(7) 1_555 1_555 1_555 1_555 yes C(8) C(9) C(17) C(18) 5.7(8) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(9) C(11) 180.0(6) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(9) C(15) 1.0(8) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(9) C(16) 0.0(6) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(9) C(17) -0.7(4) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(11) C(9) 0.0(6) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(11) C(12) 177.9(7) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(11) C(13) 176.8(8) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(11) C(14) 177.4(10) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(11) C(15) 178(1) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(12) C(11) -89(22) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(12) C(13) 88(22) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(12) C(14) 89(22) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(14) C(11) -178.6(5) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(14) C(12) -178.9(4) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(14) C(13) -177.5(4) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(14) C(15) 4.0(5) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(14) C(16) 2.9(3) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(15) C(9) -0.5(4) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(15) C(11) -179.5(6) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(15) C(13) -177.4(3) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(15) C(14) -176.5(5) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(15) C(16) 1.5(5) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(15) C(17) 1.2(2) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(16) C(9) 0.0(3) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(16) C(14) -177.1(3) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(16) C(15) -178.2(6) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(16) C(17) 1.2(3) 1_555 1_555 1_555 1_555 yes C(8) C(10) C(16) C(18) 2.8(3) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(9) C(10) -179.2(7) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(9) C(11) -179.7(5) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(9) C(16) -0.9(5) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(9) C(17) -1.1(3) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(10) C(9) 0.5(4) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(10) C(11) 179.5(6) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(10) C(12) 179.0(3) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(10) C(14) 176.5(5) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(10) C(16) -1.5(5) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(11) C(9) 0.1(2) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(11) C(10) -0.4(5) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(11) C(12) 178.7(5) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(11) C(13) 177.1(3) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(11) C(14) 176.9(4) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(13) C(11) -5.9(6) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(13) C(12) -7.3(8) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(13) C(14) 173.8(8) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(14) C(10) -70(7) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(14) C(11) -71(7) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(14) C(12) -72(8) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(14) C(13) -71(8) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(14) C(16) 107(8) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(16) C(9) 0.5(3) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(16) C(10) 1.5(5) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(16) C(14) -176.4(5) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(16) C(17) 0.8(4) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(16) C(18) 3.4(7) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(17) C(9) 1.0(3) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(17) C(16) -178.6(7) 1_555 1_555 1_555 1_555 yes C(8) C(15) C(17) C(18) 176(1) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(9) C(10) -180.0(6) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(9) C(11) 180.0(5) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(9) C(15) 179.0(5) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(9) C(17) -1.3(4) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(10) C(9) 0.0(3) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(10) C(11) 180.0(9) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(10) C(12) 178.9(4) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(10) C(14) 177.1(3) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(10) C(15) 178.2(6) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(14) C(10) -2.9(3) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(14) C(11) -3.7(4) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(14) C(12) -4.7(5) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(14) C(13) -3(1) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(14) C(15) -4.1(6) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(15) C(9) -0.5(3) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(15) C(10) -1.5(5) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(15) C(11) -2.6(9) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(15) C(13) 176.3(8) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(15) C(14) 176.4(5) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(15) C(17) -0.8(4) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(17) C(9) 1.3(4) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(17) C(15) 1.6(8) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(17) C(18) 179.1(9) 1_555 1_555 1_555 1_555 yes C(8) C(16) C(18) C(17) -0.6(5) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(1) C(18) -5.8(9) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(5) C(18) 178.8(7) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(7) C(9) 0.9(5) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(9) C(10) 178.9(7) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(9) C(11) 179.2(7) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(9) C(15) 177.9(6) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(9) C(16) 177.7(7) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(15) C(9) -1.0(3) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(15) C(10) -2.0(4) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(15) C(11) -2.4(5) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(15) C(13) 118(12) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(15) C(14) 173.9(8) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(15) C(16) 178.6(7) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(16) C(9) -1.3(4) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(16) C(10) -2.0(5) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(16) C(14) 1(1) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(16) C(15) -1.6(8) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(16) C(18) -179.1(9) 1_555 1_555 1_555 1_555 yes C(8) C(17) C(18) C(16) 179.1(9) 1_555 1_555 1_555 1_555 yes C(8) C(18) C(1) C(17) 4.0(6) 1_555 1_555 1_555 1_555 yes C(8) C(18) C(5) C(17) -0.7(4) 1_555 1_555 1_555 1_555 yes C(8) C(18) C(16) C(9) -1.4(2) 1_555 1_555 1_555 1_555 yes C(8) C(18) C(16) C(10) -2.8(3) 1_555 1_555 1_555 1_555 yes C(8) C(18) C(16) C(14) 169(26) 1_555 1_555 1_555 1_555 yes C(8) C(18) C(16) C(15) -3.9(8) 1_555 1_555 1_555 1_555 yes C(8) C(18) C(16) C(17) 0.6(5) 1_555 1_555 1_555 1_555 yes C(8) C(18) C(17) C(9) -3.2(5) 1_555 1_555 1_555 1_555 yes C(8) C(18) C(17) C(15) -176(1) 1_555 1_555 1_555 1_555 yes C(8) C(18) C(17) C(16) -179.1(9) 1_555 1_555 1_555 1_555 yes C(9) C(7) C(5) C(17) 2.4(3) 1_555 1_555 1_555 1_555 yes C(9) C(7) C(5) C(18) 2.2(5) 1_555 1_555 1_555 1_555 yes C(9) C(7) C(6) C(18) -1(1) 1_555 1_555 1_555 1_555 yes C(9) C(7) C(8) C(10) -0.2(5) 1_555 1_555 1_555 1_555 yes C(9) C(7) C(8) C(15) 138(82) 1_555 1_555 1_555 1_555 yes C(9) C(7) C(8) C(16) -179(1) 1_555 1_555 1_555 1_555 yes C(9) C(7) C(8) C(17) -178.4(9) 1_555 1_555 1_555 1_555 yes C(9) C(7) C(8) C(18) -177.4(6) 1_555 1_555 1_555 1_555 yes C(9) C(7) C(17) C(15) 1.2(3) 1_555 1_555 1_555 1_555 yes C(9) C(7) C(17) C(16) 2.7(8) 1_555 1_555 1_555 1_555 yes C(9) C(7) C(17) C(18) -177.4(4) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(6) C(18) 176.8(9) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(7) C(17) 178.4(9) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(10) C(11) 0(1) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(10) C(12) 87(22) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(10) C(14) 177.1(7) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(10) C(15) 179.1(7) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(10) C(16) 180.0(7) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(15) C(10) -0.5(4) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(15) C(11) -0.2(4) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(15) C(13) 4.8(7) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(15) C(14) 71(7) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(15) C(16) -179.0(5) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(15) C(17) -178.2(6) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(16) C(10) 0.0(3) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(16) C(14) 2.9(5) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(16) C(15) 0.9(5) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(16) C(17) -177.7(7) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(16) C(18) -177.2(4) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(17) C(15) 1.8(6) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(17) C(16) 2.6(8) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(17) C(18) -176.5(5) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(18) C(16) 5.8(9) 1_555 1_555 1_555 1_555 yes C(9) C(8) C(18) C(17) 6.3(9) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(8) C(15) -179.1(7) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(8) C(16) -180.0(7) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(8) C(17) 178.9(8) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(8) C(18) 177.1(7) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(11) C(12) 177.9(7) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(11) C(13) 176.8(5) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(11) C(14) 177.4(6) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(11) C(15) 179.0(9) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(12) C(11) -3(1) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(12) C(13) 174.6(9) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(12) C(14) 175.8(9) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(14) C(11) -175.9(10) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(14) C(12) -176.2(9) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(14) C(13) -174.8(8) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(14) C(15) 6.7(9) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(14) C(16) 5.6(8) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(15) C(11) -179.0(8) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(15) C(13) -176.9(5) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(15) C(14) -176.1(5) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(15) C(16) 2.0(8) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(15) C(17) 1.7(5) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(16) C(14) -177.1(4) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(16) C(15) -178.2(7) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(16) C(17) 1.2(4) 1_555 1_555 1_555 1_555 yes C(9) C(10) C(16) C(18) 2.8(5) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(10) C(12) -177.9(7) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(10) C(14) -177.4(6) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(10) C(15) -179.0(9) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(10) C(16) -179(1) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(12) C(10) 2.0(6) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(12) C(13) 0(1) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(12) C(14) 1(1) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(13) C(12) 179.9(9) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(13) C(14) 2.8(6) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(13) C(15) 3.0(3) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(14) C(10) 1.2(3) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(14) C(12) -179.3(6) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(14) C(13) -177.5(5) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(14) C(15) 2.7(4) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(14) C(16) 2.5(3) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(15) C(10) 0.6(5) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(15) C(13) -176.9(4) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(15) C(14) -176.8(4) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(15) C(16) 2.4(9) 1_555 1_555 1_555 1_555 yes C(9) C(11) C(15) C(17) 1.4(3) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(8) C(10) 0.5(4) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(8) C(16) 179.0(5) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(8) C(17) 178.2(6) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(8) C(18) 177.3(5) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(10) C(11) 179.0(8) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(10) C(12) 178.5(6) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(10) C(14) 176.1(5) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(10) C(16) -2.0(8) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(11) C(10) -0.6(5) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(11) C(12) 178.5(5) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(11) C(13) 176.9(4) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(11) C(14) 176.8(4) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(13) C(11) -3.1(4) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(13) C(12) -4.6(5) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(13) C(14) 176.6(7) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(14) C(10) -4.0(5) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(14) C(11) -5.5(7) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(14) C(12) -6.4(9) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(14) C(13) -5(1) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(14) C(16) 174(1) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(16) C(10) 1.0(4) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(16) C(14) -176.9(6) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(16) C(17) 0.3(6) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(16) C(18) 2.9(9) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(17) C(16) -179.6(6) 1_555 1_555 1_555 1_555 yes C(9) C(15) C(17) C(18) 175.7(9) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(8) C(10) 0.0(3) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(8) C(15) -0.9(5) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(8) C(17) 177.7(7) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(8) C(18) 177.2(4) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(10) C(11) 180.0(10) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(10) C(12) 178.9(5) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(10) C(14) 177.1(4) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(10) C(15) 178.2(7) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(14) C(10) -1.5(2) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(14) C(11) -2.3(3) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(14) C(12) -3.2(4) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(14) C(13) -2.3(10) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(14) C(15) -2.7(5) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(15) C(10) -1.0(4) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(15) C(11) -2.1(8) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(15) C(13) 176.8(9) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(15) C(14) 176.9(6) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(15) C(17) -0.3(6) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(17) C(15) 0.3(6) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(17) C(18) 177.8(6) 1_555 1_555 1_555 1_555 yes C(9) C(16) C(18) C(17) -2.0(5) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(1) C(18) -44(3) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(5) C(18) 177.2(6) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(8) C(10) -0.6(4) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(8) C(15) -1.8(6) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(8) C(16) -2.6(8) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(8) C(18) 176.5(5) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(15) C(10) -1.0(3) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(15) C(11) -1.4(3) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(15) C(13) 119(12) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(15) C(14) 174.9(9) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(15) C(16) 179.6(6) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(16) C(10) -0.7(3) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(16) C(14) 2.5(9) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(16) C(15) -0.3(6) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(16) C(18) -177.8(6) 1_555 1_555 1_555 1_555 yes C(9) C(17) C(18) C(16) 175(1) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(6) C(18) 167(9) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(7) C(17) 178(1) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(9) C(11) 0.0(6) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(9) C(15) -0.5(4) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(9) C(16) 0.0(6) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(9) C(17) 1.3(9) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(15) C(11) 0.2(3) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(15) C(13) 5.3(5) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(15) C(14) 71(7) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(15) C(16) -178.5(5) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(15) C(17) -177.7(5) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(16) C(14) 2.9(3) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(16) C(15) 0.9(3) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(16) C(17) -177.7(6) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(16) C(18) -177.2(3) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(17) C(15) 1.2(2) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(17) C(16) 2.0(5) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(17) C(18) -177.2(4) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(18) C(16) 2.9(3) 1_555 1_555 1_555 1_555 yes C(10) C(8) C(18) C(17) 3.4(5) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(7) C(17) -0.5(10) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(8) C(15) 0.5(4) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(8) C(16) 0.0(6) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(8) C(17) -1.3(9) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(8) C(18) -5(1) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(11) C(12) -3(1) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(11) C(13) -3.7(6) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(11) C(14) -2.2(5) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(11) C(15) -0.6(5) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(15) C(11) 0.6(5) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(15) C(13) 3.6(6) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(15) C(14) 6.8(9) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(15) C(16) -178.3(7) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(15) C(17) -178.1(6) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(16) C(14) 2.5(4) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(16) C(15) 1.0(4) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(16) C(17) -178.7(5) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(16) C(18) -177.6(4) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(17) C(15) 1.0(3) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(17) C(16) 1.2(4) 1_555 1_555 1_555 1_555 yes C(10) C(9) C(17) C(18) -175.4(7) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(9) C(15) 0.6(5) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(9) C(16) 0.0(6) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(9) C(17) -0.7(6) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(12) C(13) -2(1) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(12) C(14) -0.5(7) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(13) C(12) 178.2(9) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(13) C(14) 1.1(5) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(13) C(15) 1.3(3) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(14) C(12) 179.5(7) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(14) C(13) -178.7(6) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(14) C(15) 1.5(4) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(14) C(16) 1.3(4) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(15) C(13) -177.5(6) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(15) C(14) -177.4(7) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(15) C(16) 1.9(10) 1_555 1_555 1_555 1_555 yes C(10) C(11) C(15) C(17) 0.8(6) 1_555 1_555 1_555 1_555 yes C(10) C(12) C(11) C(13) 2(1) 1_555 1_555 1_555 1_555 yes C(10) C(12) C(11) C(14) 0.5(7) 1_555 1_555 1_555 1_555 yes C(10) C(12) C(11) C(15) -0.5(5) 1_555 1_555 1_555 1_555 yes C(10) C(12) C(13) C(11) -1.1(5) 1_555 1_555 1_555 1_555 yes C(10) C(12) C(13) C(14) 2.2(6) 1_555 1_555 1_555 1_555 yes C(10) C(12) C(13) C(15) 1.6(3) 1_555 1_555 1_555 1_555 yes C(10) C(12) C(14) C(11) -0.3(4) 1_555 1_555 1_555 1_555 yes C(10) C(12) C(14) C(13) -177.4(7) 1_555 1_555 1_555 1_555 yes C(10) C(12) C(14) C(15) 1.5(3) 1_555 1_555 1_555 1_555 yes C(10) C(12) C(14) C(16) 1.7(3) 1_555 1_555 1_555 1_555 yes C(10) C(14) Ag(2) C(13) 85.6(5) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(11) C(12) -179.5(7) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(11) C(13) 178.7(6) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(11) C(15) -1.5(4) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(12) C(11) 0.3(4) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(12) C(13) 177.4(7) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(13) C(11) -0.7(3) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(13) C(12) -2.2(6) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(13) C(15) -0.9(4) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(15) C(11) 1.5(4) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(15) C(13) 1.8(8) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(15) C(16) -178.0(9) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(15) C(17) -175(1) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(16) C(15) 1.2(5) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(16) C(17) -3.7(9) 1_555 1_555 1_555 1_555 yes C(10) C(14) C(16) C(18) -172(26) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(8) C(16) 178.5(5) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(8) C(17) 177.7(5) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(8) C(18) 176.8(4) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(9) C(11) -0.6(5) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(9) C(16) 178.3(7) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(9) C(17) 178.1(6) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(11) C(12) 179.1(8) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(11) C(13) 177.5(6) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(11) C(14) 177.4(7) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(13) C(11) -1.3(3) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(13) C(12) -2.7(5) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(13) C(14) 178.4(7) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(14) C(11) -1.5(4) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(14) C(12) -2.5(5) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(14) C(13) -1.8(8) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(14) C(16) 178.0(9) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(16) C(14) -178.0(9) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(16) C(17) -0.7(8) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(16) C(18) 1(1) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(17) C(16) 179.4(7) 1_555 1_555 1_555 1_555 yes C(10) C(15) C(17) C(18) 174.7(9) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(8) C(15) -0.9(3) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(8) C(17) 177.7(6) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(8) C(18) 177.2(3) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(9) C(11) 0.0(3) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(9) C(15) -1.0(4) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(9) C(17) 178.7(5) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(14) C(11) -0.8(2) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(14) C(12) -1.7(3) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(14) C(13) -0.9(9) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(14) C(15) -1.2(5) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(15) C(11) -1.1(6) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(15) C(13) 177(1) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(15) C(14) 178.0(9) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(15) C(17) 0.7(8) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(17) C(15) -0.3(4) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(17) C(18) 177.1(5) 1_555 1_555 1_555 1_555 yes C(10) C(16) C(18) C(17) -3.4(6) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(7) C(17) 169(28) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(8) C(15) 0.5(8) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(8) C(16) 0.0(10) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(8) C(17) -1(1) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(8) C(18) -5(1) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(10) C(12) 2.0(6) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(10) C(14) 175(1) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(10) C(15) 179.0(9) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(10) C(16) 180.0(6) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(15) C(13) 3.0(3) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(15) C(14) 6.2(8) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(15) C(16) -178.8(4) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(15) C(17) -178.7(3) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(16) C(14) 2.5(3) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(16) C(15) 1.0(4) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(16) C(17) -178.7(4) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(16) C(18) -177.6(3) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(17) C(15) 1.3(3) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(17) C(16) 1.5(5) 1_555 1_555 1_555 1_555 yes C(11) C(9) C(17) C(18) -175.0(7) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(8) C(15) -179(1) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(8) C(16) -180.0(10) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(8) C(17) 178.9(9) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(8) C(18) 177.1(9) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(9) C(15) -179.0(9) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(9) C(16) -180.0(6) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(9) C(17) 179.4(5) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(12) C(13) 178.2(9) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(12) C(14) 179.5(8) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(14) C(12) -0.2(4) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(14) C(13) 1.1(5) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(14) C(15) -177.4(7) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(14) C(16) -178.5(4) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(15) C(13) 2.1(6) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(15) C(14) 3.0(8) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(15) C(16) -179.0(5) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(15) C(17) -179.3(5) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(16) C(14) 2.9(8) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(16) C(15) 1.7(9) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(16) C(17) -178.9(8) 1_555 1_555 1_555 1_555 yes C(11) C(10) C(16) C(18) -177.2(7) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(10) C(14) -179.5(8) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(10) C(15) 179.1(8) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(10) C(16) 178.7(8) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(13) C(14) 3(1) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(13) C(15) 2.7(7) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(14) C(13) -177.1(9) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(14) C(15) 1.7(5) 1_555 1_555 1_555 1_555 yes C(11) C(12) C(14) C(16) 2.0(6) 1_555 1_555 1_555 1_555 yes C(11) C(13) Ag(2) C(14) -87.9(5) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(12) C(14) -3(1) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(14) C(12) 1.6(5) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(14) C(15) 0.3(6) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(14) C(16) 0(1) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(15) C(14) -179.7(7) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(15) C(16) -179.4(9) 1_555 1_555 1_555 1_555 yes C(11) C(13) C(15) C(17) -121(12) 1_555 1_555 1_555 1_555 yes C(11) C(14) Ag(2) C(13) 57.5(4) 1_555 1_555 1_555 1_555 yes C(11) C(14) C(10) C(12) 0.2(4) 1_555 1_555 1_555 1_555 yes C(11) C(14) C(10) C(15) 177.4(7) 1_555 1_555 1_555 1_555 yes C(11) C(14) C(10) C(16) 178.5(4) 1_555 1_555 1_555 1_555 yes C(11) C(14) C(12) C(13) 177.1(9) 1_555 1_555 1_555 1_555 yes C(11) C(14) C(13) C(12) -1.6(5) 1_555 1_555 1_555 1_555 yes C(11) C(14) C(13) C(15) -0.3(6) 1_555 1_555 1_555 1_555 yes C(11) C(14) C(15) C(13) 0.3(6) 1_555 1_555 1_555 1_555 yes C(11) C(14) C(15) C(16) -179.6(6) 1_555 1_555 1_555 1_555 yes C(11) C(14) C(15) C(17) -176.9(9) 1_555 1_555 1_555 1_555 yes C(11) C(14) C(16) C(15) 0.4(5) 1_555 1_555 1_555 1_555 yes C(11) C(14) C(16) C(17) -4.5(9) 1_555 1_555 1_555 1_555 yes C(11) C(14) C(16) C(18) -173(26) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(8) C(16) 178.7(4) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(8) C(17) 177.9(4) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(8) C(18) 177.1(3) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(9) C(16) 178.8(4) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(9) C(17) 178.7(3) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(10) C(12) -0.5(4) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(10) C(14) -3.0(8) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(10) C(16) 179.0(5) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(13) C(12) -1.5(4) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(13) C(14) 179.7(7) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(14) C(12) -0.9(3) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(14) C(13) -0.3(6) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(14) C(16) 179.6(6) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(16) C(14) -179(1) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(16) C(17) -1(1) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(16) C(18) 0(1) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(17) C(16) 179.0(7) 1_555 1_555 1_555 1_555 yes C(11) C(15) C(17) C(18) 174.3(8) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(8) C(15) -91(22) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(8) C(16) -92(22) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(8) C(17) -93(22) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(8) C(18) -94(22) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(9) C(15) -176(1) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(9) C(16) -178.0(10) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(9) C(17) -178.6(8) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(11) C(13) -1.1(6) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(11) C(14) -0.5(7) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(11) C(15) 1.1(9) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(14) C(13) 1.3(4) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(14) C(15) -177.1(6) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(14) C(16) -178.2(3) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(15) C(13) 1.6(3) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(15) C(14) 2.5(5) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(15) C(16) -179.5(5) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(15) C(17) -179.8(3) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(16) C(14) 1.8(3) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(16) C(15) 0.6(6) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(16) C(17) -180.0(4) 1_555 1_555 1_555 1_555 yes C(12) C(10) C(16) C(18) -178.3(3) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(9) C(15) -2(1) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(9) C(16) -3(1) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(9) C(17) -4(1) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(10) C(14) 0.5(7) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(10) C(15) -1.1(9) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(10) C(16) -2(1) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(13) C(14) -177.1(9) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(13) C(15) -177.0(8) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(14) C(13) 1.7(5) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(14) C(15) -178.0(6) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(14) C(16) -178.2(5) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(15) C(13) 1.6(4) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(15) C(14) 1.7(5) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(15) C(16) -179.1(9) 1_555 1_555 1_555 1_555 yes C(12) C(11) C(15) C(17) 179.9(5) 1_555 1_555 1_555 1_555 yes C(12) C(13) Ag(2) C(14) -117.1(7) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(11) C(14) 177.1(9) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(11) C(15) 177.0(8) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(14) C(15) -1.3(9) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(14) C(16) -1(1) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(15) C(14) 178.9(8) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(15) C(16) 179.2(9) 1_555 1_555 1_555 1_555 yes C(12) C(13) C(15) C(17) -123(12) 1_555 1_555 1_555 1_555 yes C(12) C(14) Ag(2) C(13) 31.7(5) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(10) C(15) 177.1(6) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(10) C(16) 178.2(3) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(11) C(13) -1.7(5) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(11) C(15) 178.0(6) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(13) C(15) 1.3(9) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(15) C(13) -0.7(5) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(15) C(16) 179.5(5) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(15) C(17) -177.8(7) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(16) C(15) -0.6(6) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(16) C(17) -5(1) 1_555 1_555 1_555 1_555 yes C(12) C(14) C(16) C(18) -174(26) 1_555 1_555 1_555 1_555 yes C(13) Ag(2) C(14) C(15) 116.5(7) 1_555 1_555 1_555 1_555 yes C(13) Ag(2) C(14) C(16) 147.8(6) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(9) C(15) -3.0(3) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(9) C(16) -3.6(4) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(9) C(17) -4.4(5) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(10) C(14) -0.6(3) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(10) C(15) -2.2(6) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(10) C(16) -3.1(9) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(12) C(14) 1.6(5) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(14) C(15) -179.7(6) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(14) C(16) -180.0(5) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(15) C(14) 0.1(3) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(15) C(16) 179.4(9) 1_555 1_555 1_555 1_555 yes C(13) C(11) C(15) C(17) 178.3(4) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(10) C(14) -1.3(4) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(10) C(15) -2.8(5) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(10) C(16) -3.1(5) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(11) C(14) -1.6(5) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(11) C(15) -2.7(7) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(14) C(15) 178.9(8) 1_555 1_555 1_555 1_555 yes C(13) C(12) C(14) C(16) 179.2(8) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(10) C(15) 178.5(7) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(10) C(16) 179.6(5) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(11) C(15) 179.7(6) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(15) C(16) -179.8(6) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(15) C(17) -177.2(7) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(16) C(15) 0(1) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(16) C(17) -4(1) 1_555 1_555 1_555 1_555 yes C(13) C(14) C(16) C(18) -173(26) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(8) C(16) -176.3(8) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(8) C(17) -177.1(7) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(8) C(18) -177.9(6) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(9) C(16) -178.1(5) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(9) C(17) -178.3(4) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(10) C(14) -0.9(4) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(10) C(16) -178.9(6) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(11) C(14) -0.1(3) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(14) C(16) 179.8(6) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(16) C(14) -0.2(6) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(16) C(17) 177.1(7) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(16) C(18) 179.7(5) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(17) C(16) -60(12) 1_555 1_555 1_555 1_555 yes C(13) C(15) C(17) C(18) -64(12) 1_555 1_555 1_555 1_555 yes C(14) Ag(2) C(13) C(15) -28.9(3) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(8) C(15) -2.1(3) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(8) C(16) -2.9(3) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(8) C(17) -4.1(4) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(8) C(18) -5.8(5) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(9) C(15) -3.9(5) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(9) C(16) -4.9(7) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(9) C(17) -5.6(8) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(11) C(15) 1.5(4) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(15) C(16) 178.0(9) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(15) C(17) 177.7(6) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(16) C(15) -1.2(5) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(16) C(17) 178.3(4) 1_555 1_555 1_555 1_555 yes C(14) C(10) C(16) C(18) 179.9(4) 1_555 1_555 1_555 1_555 yes C(14) C(11) C(9) C(15) -1.6(2) 1_555 1_555 1_555 1_555 yes C(14) C(11) C(9) C(16) -2.2(2) 1_555 1_555 1_555 1_555 yes C(14) C(11) C(9) C(17) -3.0(4) 1_555 1_555 1_555 1_555 yes C(14) C(11) C(10) C(15) -1.5(4) 1_555 1_555 1_555 1_555 yes C(14) C(11) C(10) C(16) -2.5(7) 1_555 1_555 1_555 1_555 yes C(14) C(11) C(13) C(15) 0.2(3) 1_555 1_555 1_555 1_555 yes C(14) C(11) C(15) C(16) 179(1) 1_555 1_555 1_555 1_555 yes C(14) C(11) C(15) C(17) 178.2(5) 1_555 1_555 1_555 1_555 yes C(14) C(12) C(10) C(15) -1.5(3) 1_555 1_555 1_555 1_555 yes C(14) C(12) C(10) C(16) -1.8(3) 1_555 1_555 1_555 1_555 yes C(14) C(12) C(11) C(15) -1.0(3) 1_555 1_555 1_555 1_555 yes C(14) C(12) C(13) C(15) -0.6(5) 1_555 1_555 1_555 1_555 yes C(14) C(13) C(11) C(15) -0.2(3) 1_555 1_555 1_555 1_555 yes C(14) C(13) C(15) C(16) 0.3(10) 1_555 1_555 1_555 1_555 yes C(14) C(13) C(15) C(17) 57(12) 1_555 1_555 1_555 1_555 yes C(14) C(15) C(8) C(16) -109(8) 1_555 1_555 1_555 1_555 yes C(14) C(15) C(8) C(17) -110(8) 1_555 1_555 1_555 1_555 yes C(14) C(15) C(8) C(18) -111(7) 1_555 1_555 1_555 1_555 yes C(14) C(15) C(9) C(16) -174(1) 1_555 1_555 1_555 1_555 yes C(14) C(15) C(9) C(17) -175.1(9) 1_555 1_555 1_555 1_555 yes C(14) C(15) C(10) C(16) -178.0(9) 1_555 1_555 1_555 1_555 yes C(14) C(15) C(16) C(17) 177.3(5) 1_555 1_555 1_555 1_555 yes C(14) C(15) C(16) C(18) 179.8(7) 1_555 1_555 1_555 1_555 yes C(14) C(15) C(17) C(16) -4.7(9) 1_555 1_555 1_555 1_555 yes C(14) C(15) C(17) C(18) -9(1) 1_555 1_555 1_555 1_555 yes C(14) C(16) C(8) C(15) 2.0(3) 1_555 1_555 1_555 1_555 yes C(14) C(16) C(8) C(17) -179.3(6) 1_555 1_555 1_555 1_555 yes C(14) C(16) C(8) C(18) -179.9(4) 1_555 1_555 1_555 1_555 yes C(14) C(16) C(9) C(15) 1.5(3) 1_555 1_555 1_555 1_555 yes C(14) C(16) C(9) C(17) -178.8(4) 1_555 1_555 1_555 1_555 yes C(14) C(16) C(10) C(15) 1.2(5) 1_555 1_555 1_555 1_555 yes C(14) C(16) C(15) C(17) -177.3(5) 1_555 1_555 1_555 1_555 yes C(14) C(16) C(17) C(15) 2.8(5) 1_555 1_555 1_555 1_555 yes C(14) C(16) C(17) C(18) -179.7(7) 1_555 1_555 1_555 1_555 yes C(14) C(16) C(18) C(17) 168(26) 1_555 1_555 1_555 1_555 yes C(15) C(8) C(6) C(18) -2.9(6) 1_555 1_555 1_555 1_555 yes C(15) C(8) C(7) C(17) -43(81) 1_555 1_555 1_555 1_555 yes C(15) C(8) C(9) C(16) 0.5(3) 1_555 1_555 1_555 1_555 yes C(15) C(8) C(9) C(17) 1.8(6) 1_555 1_555 1_555 1_555 yes C(15) C(8) C(10) C(16) 0.9(3) 1_555 1_555 1_555 1_555 yes C(15) C(8) C(16) C(17) -178.6(7) 1_555 1_555 1_555 1_555 yes C(15) C(8) C(16) C(18) -178.1(4) 1_555 1_555 1_555 1_555 yes C(15) C(8) C(17) C(16) 0.8(4) 1_555 1_555 1_555 1_555 yes C(15) C(8) C(17) C(18) -178.3(6) 1_555 1_555 1_555 1_555 yes C(15) C(8) C(18) C(16) 0.9(2) 1_555 1_555 1_555 1_555 yes C(15) C(8) C(18) C(17) 1.4(5) 1_555 1_555 1_555 1_555 yes C(15) C(9) C(7) C(17) -1.2(3) 1_555 1_555 1_555 1_555 yes C(15) C(9) C(8) C(16) -0.5(3) 1_555 1_555 1_555 1_555 yes C(15) C(9) C(8) C(17) -1.8(6) 1_555 1_555 1_555 1_555 yes C(15) C(9) C(8) C(18) -5.6(9) 1_555 1_555 1_555 1_555 yes C(15) C(9) C(10) C(16) 1.0(4) 1_555 1_555 1_555 1_555 yes C(15) C(9) C(16) C(17) -179.7(5) 1_555 1_555 1_555 1_555 yes C(15) C(9) C(16) C(18) -178.6(4) 1_555 1_555 1_555 1_555 yes C(15) C(9) C(17) C(16) 0.2(3) 1_555 1_555 1_555 1_555 yes C(15) C(9) C(17) C(18) -176.4(8) 1_555 1_555 1_555 1_555 yes C(15) C(10) C(8) C(16) -0.9(3) 1_555 1_555 1_555 1_555 yes C(15) C(10) C(8) C(17) -2.0(4) 1_555 1_555 1_555 1_555 yes C(15) C(10) C(8) C(18) -3.8(4) 1_555 1_555 1_555 1_555 yes C(15) C(10) C(9) C(16) -1.0(4) 1_555 1_555 1_555 1_555 yes C(15) C(10) C(9) C(17) -1.7(5) 1_555 1_555 1_555 1_555 yes C(15) C(10) C(14) C(16) -1.1(5) 1_555 1_555 1_555 1_555 yes C(15) C(10) C(16) C(17) 179.4(7) 1_555 1_555 1_555 1_555 yes C(15) C(10) C(16) C(18) -178.9(7) 1_555 1_555 1_555 1_555 yes C(15) C(11) C(9) C(16) -0.6(2) 1_555 1_555 1_555 1_555 yes C(15) C(11) C(9) C(17) -1.4(3) 1_555 1_555 1_555 1_555 yes C(15) C(11) C(10) C(16) -1.0(5) 1_555 1_555 1_555 1_555 yes C(15) C(11) C(14) C(16) -0.2(3) 1_555 1_555 1_555 1_555 yes C(15) C(13) C(14) C(16) -0.2(6) 1_555 1_555 1_555 1_555 yes C(15) C(14) C(10) C(16) 1.1(5) 1_555 1_555 1_555 1_555 yes C(15) C(14) C(16) C(17) -4.8(9) 1_555 1_555 1_555 1_555 yes C(15) C(14) C(16) C(18) -173(26) 1_555 1_555 1_555 1_555 yes C(15) C(16) C(8) C(17) 178.6(7) 1_555 1_555 1_555 1_555 yes C(15) C(16) C(8) C(18) 178.1(4) 1_555 1_555 1_555 1_555 yes C(15) C(16) C(9) C(17) 179.7(5) 1_555 1_555 1_555 1_555 yes C(15) C(16) C(17) C(18) 177.4(5) 1_555 1_555 1_555 1_555 yes C(15) C(16) C(18) C(17) -4.5(9) 1_555 1_555 1_555 1_555 yes C(15) C(17) C(1) C(18) 180.0 1_555 1_555 1_555 1_555 yes C(15) C(17) C(5) C(18) 146(9) 1_555 1_555 1_555 1_555 yes C(15) C(17) C(8) C(16) -0.8(4) 1_555 1_555 1_555 1_555 yes C(15) C(17) C(8) C(18) 178.3(6) 1_555 1_555 1_555 1_555 yes C(15) C(17) C(9) C(16) -0.2(3) 1_555 1_555 1_555 1_555 yes C(15) C(17) C(16) C(18) -177.4(5) 1_555 1_555 1_555 1_555 yes C(15) C(17) C(18) C(16) 2.7(6) 1_555 1_555 1_555 1_555 yes C(16) C(8) C(6) C(18) -2.4(3) 1_555 1_555 1_555 1_555 yes C(16) C(8) C(7) C(17) -1.1(6) 1_555 1_555 1_555 1_555 yes C(16) C(8) C(9) C(17) 1.3(4) 1_555 1_555 1_555 1_555 yes C(16) C(8) C(15) C(17) 0.8(4) 1_555 1_555 1_555 1_555 yes C(16) C(8) C(17) C(18) -179.1(8) 1_555 1_555 1_555 1_555 yes C(16) C(8) C(18) C(17) 0.5(5) 1_555 1_555 1_555 1_555 yes C(16) C(9) C(7) C(17) -0.7(2) 1_555 1_555 1_555 1_555 yes C(16) C(9) C(8) C(17) -1.3(4) 1_555 1_555 1_555 1_555 yes C(16) C(9) C(8) C(18) -5.1(8) 1_555 1_555 1_555 1_555 yes C(16) C(9) C(15) C(17) 0.2(3) 1_555 1_555 1_555 1_555 yes C(16) C(9) C(17) C(18) -176.6(9) 1_555 1_555 1_555 1_555 yes C(16) C(10) C(8) C(17) -1.1(3) 1_555 1_555 1_555 1_555 yes C(16) C(10) C(8) C(18) -2.9(3) 1_555 1_555 1_555 1_555 yes C(16) C(10) C(9) C(17) -0.7(3) 1_555 1_555 1_555 1_555 yes C(16) C(10) C(15) C(17) -0.3(4) 1_555 1_555 1_555 1_555 yes C(16) C(14) C(15) C(17) 2.7(5) 1_555 1_555 1_555 1_555 yes C(16) C(15) C(8) C(17) -0.8(4) 1_555 1_555 1_555 1_555 yes C(16) C(15) C(8) C(18) -1.7(4) 1_555 1_555 1_555 1_555 yes C(16) C(15) C(9) C(17) -0.2(3) 1_555 1_555 1_555 1_555 yes C(16) C(15) C(17) C(18) -4.7(10) 1_555 1_555 1_555 1_555 yes C(16) C(17) C(1) C(18) 177.7(7) 1_555 1_555 1_555 1_555 yes C(16) C(17) C(5) C(18) -0.7(10) 1_555 1_555 1_555 1_555 yes C(16) C(17) C(8) C(18) 179.1(8) 1_555 1_555 1_555 1_555 yes C(16) C(18) C(1) C(17) -1.2(4) 1_555 1_555 1_555 1_555 yes C(16) C(18) C(5) C(17) 0.3(4) 1_555 1_555 1_555 1_555 yes C(16) C(18) C(8) C(17) -0.5(5) 1_555 1_555 1_555 1_555 yes C(17) C(1) C(2) C(18) -4.4(6) 1_555 1_555 1_555 1_555 yes C(17) C(1) C(3) C(18) -2.7(3) 1_555 1_555 1_555 1_555 yes C(17) C(1) C(4) C(18) -1.6(3) 1_555 1_555 1_555 1_555 yes C(17) C(1) C(5) C(18) -1.3(5) 1_555 1_555 1_555 1_555 yes C(17) C(5) C(1) C(18) 1.3(5) 1_555 1_555 1_555 1_555 yes C(17) C(5) C(2) C(18) 1.7(3) 1_555 1_555 1_555 1_555 yes C(17) C(5) C(3) C(18) 2.8(3) 1_555 1_555 1_555 1_555 yes C(17) C(5) C(4) C(18) 4.7(6) 1_555 1_555 1_555 1_555 yes C(17) C(5) C(6) C(18) -1.1(4) 1_555 1_555 1_555 1_555 yes C(17) C(7) C(5) C(18) -0.2(3) 1_555 1_555 1_555 1_555 yes C(17) C(7) C(6) C(18) -1.6(3) 1_555 1_555 1_555 1_555 yes C(17) C(7) C(8) C(18) 1.0(4) 1_555 1_555 1_555 1_555 yes C(17) C(8) C(6) C(18) -1.5(3) 1_555 1_555 1_555 1_555 yes C(17) C(8) C(16) C(18) 0.5(5) 1_555 1_555 1_555 1_555 yes C(17) C(9) C(8) C(18) -3.8(6) 1_555 1_555 1_555 1_555 yes C(17) C(9) C(16) C(18) 1.1(3) 1_555 1_555 1_555 1_555 yes C(17) C(15) C(8) C(18) -0.9(3) 1_555 1_555 1_555 1_555 yes C(17) C(15) C(16) C(18) 2.6(5) 1_555 1_555 1_555 1_555 yes C(17) C(16) C(8) C(18) -0.5(5) 1_555 1_555 1_555 1_555 yes #------------------------------------------------------------------------------ loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag Ag(1) O(4) 2.503(5) 1_555 1_545 ? Ag(1) C(4) 2.587(8) 1_555 1_555 ? Ag(2) O(2) 2.714(6) 1_555 1_655 ? Ag(2) C(14) 2.507(6) 1_555 1_555 ? C(1) C(4) 2.75(1) 1_555 1_555 ? C(1) C(17) 2.531(10) 1_555 1_555 ? C(2) C(5) 2.76(1) 1_555 1_555 ? C(3) C(18) 2.796(10) 1_555 1_555 ? C(8) C(15) 2.790(9) 1_555 1_555 ? C(9) C(16) 2.761(9) 1_555 1_555 ? C(11) C(14) 2.771(10) 1_555 1_555 ? C(16) C(18) 2.524(9) 1_555 1_555 ? Ag(1) O(4) 2.503(5) 1_555 1_545 ? Ag(2) O(2) 2.714(6) 1_555 1_655 ? #------------------------------------------------------------------------------ _publ_contact_author_name ' ENTER NAME' _publ_contact_author_address ; ENTER ADDRESS ; _publ_contact_author_email ' ENTER EMAIL ADDRESS ' _publ_contact_author_fax ' ENTER FAX NUMBER ' _publ_contact_author_phone ' ENTER PHONE NUMBER ' _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_journal ' ENTER JOURNAL NAME HERE' _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_requested_coeditor_name ? _publ_section_title ; ENTER SECTION TITLE ; _publ_section_title_footnote ; ENTER FOOTNOTE TO TITLE OF PAPER ; loop_ _publ_author_name _publ_author_footnote _publ_author_address' FIRST AUTHORS NAME ' ; FIRST AUTHORS ADDRESS ; _publ_section_synopsis ; ENTER SYNOPSIS ; _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_comment ; ENTER TEXT ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_experimental ; ENTER EXPERIMENTAL SECTION ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation, Rigaku Corporation. (1998). teXsan. Single Crystal Structure Analysis Software. Version 1.9. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Rigaku, 3-9-12 Akishima, Tokyo, Japan. Zachariasen, W. H. (1967). Acta Cryst. 23, 558-564. ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; _publ_section_exptl_prep ; ENTER COMPOUND PREPARATION DETAILS ; _publ_section_exptl_refinement ; ENTER SPECIAL DETAILS OF THE REFINEMENT ; #===END data_[Ag2(L4)(CF3SO3)2](4) #------------------------------------------------------------------------------ _audit_creation_date 'Tue Apr 6 19:59:37 1999' _audit_creation_method 'from TEXRAY.INF file' _audit_update_record ? #------------------------------------------------------------------------------ _computing_data_collection 'MSC/AFC Diffractometer Control' _computing_cell_refinement 'MSC/AFC Diffractometer Control' _computing_data_reduction 'teXsan' _computing_structure_solution SAPI91 _computing_structure_refinement 'teXsan' _computing_publication_material 'teXsan' _computing_molecular_graphics ? #------------------------------------------------------------------------------ _chemical_compound_source ? _chemical_name_common ? _chemical_formula_weight 816.24 _chemical_formula_analytical ? _chemical_formula_sum 'C26 H14 Ag2 F6 O6 S2 ' _chemical_formula_moiety 'C26 H14 Ag2 F6 O6 S2 ' _chemical_formula_structural ? _chemical_melting_point ? #------------------------------------------------------------------------------ _cell_length_a 17.976(5) _cell_length_b 5.010(2) _cell_length_c 28.242(2) _cell_angle_alpha 90 _cell_angle_beta 89.662(3) _cell_angle_gamma 90 _cell_volume 2543.3(9) _cell_formula_units_Z 4 _cell_measurement_temperature 296.2 _cell_measurement_reflns_used 0 _cell_measurement_theta_min 0.0 _cell_measurement_theta_max 0.0 #------------------------------------------------------------------------------ _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c ' _symmetry_Int_Tables_number 14 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,1/2+y,1/2-z -x,-y,-z x,1/2-y,1/2+z #------------------------------------------------------------------------------ _exptl_crystal_description 'brick' _exptl_crystal_colour 'brown' _exptl_crystal_size_max 0.200 _exptl_crystal_size_mid 0.200 _exptl_crystal_size_min 0.050 _exptl_crystal_density_diffrn 2.132 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1592.00 _exptl_absorpt_coefficient_mu 1.788 _exptl_absorpt_correction_type none _exptl_special_details ; ? ; #------------------------------------------------------------------------------ _diffrn_special_details ; ? ; _diffrn_ambient_temperature 296.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'Rigaku sealed tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'scintillation counter' _diffrn_measurement_device_type 'Rigaku unknown' _diffrn_measurement_method _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_decay_% 0.00 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l _diffrn_reflns_number 6263 _reflns_number_total 6263 _reflns_number_gt 3659 _reflns_observed_expression >2.0sigma(I) _diffrn_reflns_av_R_equivalents 0.000 _diffrn_reflns_av_sigmaI/netI 0.033 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 22 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 6 _diffrn_reflns_limit_l_min -36 _diffrn_reflns_limit_l_max 36 _diffrn_reflns_theta_min 0.00 _diffrn_reflns_theta_max 27.5 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 0.00000 _diffrn_orient_matrix_UB_12 0.00000 _diffrn_orient_matrix_UB_13 0.00000 _diffrn_orient_matrix_UB_21 0.00000 _diffrn_orient_matrix_UB_22 0.00000 _diffrn_orient_matrix_UB_23 0.00000 _diffrn_orient_matrix_UB_31 0.00000 _diffrn_orient_matrix_UB_32 0.00000 _diffrn_orient_matrix_UB_33 0.00000 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_imag _atom_type_scat_source 'AgAg' -0.897 1.101 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'S' 'S' 0.125 0.123 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'O' 'O' 0.011 0.006 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'F' 'F' 0.017 0.010 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'C' 'C' 0.003 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; 'H' 'H' 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; #------------------------------------------------------------------------------ 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_calc_flags _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag(1) Ag 0.78391(7) 0.7220(2) 0.08453(4) 0.0541(4) Uani 1.00 d . . . Ag(2) Ag 0.68590(7) 0.7169(2) 0.18598(4) 0.0542(4) Uani 1.00 d . . . S(1) S 0.6348(2) 1.2004(5) 0.1080(1) 0.0370(8) Uani 1.00 d . . . S(2) S 0.8364(2) 1.1972(6) 0.1613(1) 0.0409(9) Uani 1.00 d . . . F(1) F 0.4981(6) 1.323(3) 0.0879(5) 0.094(4) Uani 1.00 d . . . F(2) F 0.5343(6) 0.949(2) 0.0600(5) 0.101(4) Uani 1.00 d . . . F(3) F 0.5738(6) 1.313(2) 0.0270(4) 0.087(4) Uani 1.00 d . . . F(4) F 0.9725(6) 1.319(3) 0.1808(6) 0.119(5) Uani 1.00 d . . . F(5) F 0.9025(6) 1.315(3) 0.2395(4) 0.096(4) Uani 1.00 d . . . F(6) F 0.9380(6) 0.945(3) 0.2085(6) 0.116(5) Uani 1.00 d . . . O(1) O 0.6480(6) 1.481(2) 0.1145(4) 0.058(3) Uani 1.00 d . . . O(2) O 0.6108(5) 1.060(2) 0.1495(3) 0.044(2) Uani 1.00 d . . . O(3) O 0.6941(5) 1.073(2) 0.0796(4) 0.057(3) Uani 1.00 d . . . O(4) O 0.7802(5) 1.059(2) 0.1880(4) 0.053(3) Uani 1.00 d . . . O(5) O 0.8609(6) 1.057(2) 0.1192(4) 0.065(3) Uani 1.00 d . . . O(6) O 0.8208(6) 1.475(2) 0.1541(4) 0.063(3) Uani 1.00 d . . . C(1) C 0.7634(7) 0.539(2) 0.0049(5) 0.045(4) Uani 1.00 d . . . C(2) C 0.833(1) 0.463(3) 0.0189(6) 0.065(5) Uani 1.00 d . . . C(3) C 0.8939(8) 0.591(3) 0.0011(6) 0.055(4) Uani 1.00 d . . . C(4) C 0.8880(9) 0.796(3) -0.0316(6) 0.056(4) Uani 1.00 d . . . C(5) C 0.9523(9) 0.922(3) -0.0532(6) 0.063(5) Uani 1.00 d . . . C(6) C 0.9439(8) 1.107(4) -0.0904(5) 0.058(4) Uani 1.00 d . . . C(7) C 0.8720(8) 1.190(3) -0.1048(5) 0.048(4) Uani 1.00 d . . . C(8) C 0.8624(7) 1.382(3) -0.1389(5) 0.049(4) Uani 1.00 d . . . C(9) C 0.7905(7) 1.469(2) -0.1540(5) 0.042(4) Uani 1.00 d . . . C(10) C 0.7829(8) 1.671(3) -0.1887(5) 0.048(4) Uani 1.00 d . . . C(11) C 0.7148(8) 1.764(2) -0.2024(5) 0.042(4) Uani 1.00 d . . . C(12) C 0.7081(9) 1.976(3) -0.2372(5) 0.050(4) Uani 1.00 d . . . C(13) C 0.6371(10) 2.064(2) -0.2486(5) 0.057(4) Uani 1.00 d . . . C(14) C 0.5759(10) 1.944(3) -0.2277(6) 0.066(5) Uani 1.00 d . . . C(15) C 0.5783(9) 1.751(3) -0.1955(6) 0.054(4) Uani 1.00 d . . . C(16) C 0.6493(7) 1.646(3) -0.1817(5) 0.045(4) Uani 1.00 d . . . C(17) C 0.6564(7) 1.449(3) -0.1493(6) 0.049(4) Uani 1.00 d . . . C(18) C 0.7272(7) 1.356(2) -0.1333(4) 0.036(3) Uani 1.00 d . . . C(19) C 0.7361(8) 1.151(3) -0.0983(4) 0.044(4) Uani 1.00 d . . . C(20) C 0.6711(6) 1.025(3) -0.0758(5) 0.040(3) Uani 1.00 d . . . C(21) C 0.6809(8) 0.829(3) -0.0416(5) 0.051(4) Uani 1.00 d . . . C(22) C 0.7521(8) 0.744(2) -0.0280(5) 0.046(4) Uani 1.00 d . . . C(23) C 0.8155(7) 0.872(2) -0.0472(4) 0.039(3) Uani 1.00 d . . . C(24) C 0.8047(6) 1.071(2) -0.0840(4) 0.033(3) Uani 1.00 d . . . C(25) C 0.5555(8) 1.195(3) 0.0669(6) 0.052(4) Uani 1.00 d . . . C(26) C 0.9166(9) 1.200(3) 0.1986(6) 0.061(5) Uani 1.00 d . . . H(1) H 0.7204 0.4431 0.0185 0.0569 Uiso 1.00 calc . . . H(2) H 0.8387 0.3236 0.0424 0.0811 Uiso 1.00 calc . . . H(3) H 0.9434 0.5425 0.0125 0.0666 Uiso 1.00 calc . . . H(4) H 1.0001 0.8764 -0.0427 0.0733 Uiso 1.00 calc . . . H(5) H 0.9882 1.1686 -0.1059 0.0653 Uiso 1.00 calc . . . H(6) H 0.9068 1.4620 -0.1531 0.0557 Uiso 1.00 calc . . . H(7) H 0.8278 1.7434 -0.2038 0.0553 Uiso 1.00 calc . . . H(8) H 0.7513 2.0550 -0.2520 0.0534 Uiso 1.00 calc . . . H(9) H 0.6300 2.2032 -0.2704 0.0719 Uiso 1.00 calc . . . H(10) H 0.5279 2.0010 -0.2380 0.0785 Uiso 1.00 calc . . . H(11) H 0.5334 1.6822 -0.1809 0.0624 Uiso 1.00 calc . . . H(12) H 0.6120 1.3645 -0.1352 0.0592 Uiso 1.00 calc . . . H(13) H 0.6213 1.0749 -0.0853 0.0465 Uiso 1.00 calc . . . H(14) H 0.6388 0.7482 -0.0265 0.0582 Uiso 1.00 calc . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ag(1) 0.0789(9) 0.0406(6) 0.0429(7) 0.0111(5) -0.0011(5) -0.0077(4) Ag(2) 0.0805(9) 0.0379(6) 0.0441(7) -0.0105(5) -0.0042(6) 0.0044(4) S(1) 0.049(2) 0.024(1) 0.037(2) 0.004(1) -0.004(1) 0.001(1) S(2) 0.046(2) 0.027(1) 0.050(2) -0.001(1) -0.007(1) 0.002(1) F(1) 0.067(6) 0.125(9) 0.090(9) 0.026(6) 0.000(6) -0.014(8) F(2) 0.107(8) 0.093(8) 0.102(10) -0.041(7) -0.026(7) -0.020(7) F(3) 0.080(7) 0.117(9) 0.063(7) 0.002(6) -0.025(5) 0.026(6) F(4) 0.049(6) 0.16(1) 0.15(1) -0.046(7) -0.011(7) 0.00(1) F(5) 0.083(7) 0.14(1) 0.063(7) -0.022(7) -0.019(6) -0.019(7) F(6) 0.091(8) 0.095(9) 0.16(1) 0.014(7) -0.052(8) 0.022(9) O(1) 0.096(7) 0.029(4) 0.050(6) -0.019(5) -0.020(5) -0.008(4) O(2) 0.064(5) 0.045(5) 0.025(5) 0.013(4) 0.001(4) 0.012(4) O(3) 0.060(6) 0.051(6) 0.059(7) 0.013(5) 0.018(5) -0.005(5) O(4) 0.054(5) 0.047(5) 0.057(7) -0.017(4) 0.006(5) -0.010(5) O(5) 0.078(7) 0.050(6) 0.067(8) -0.002(5) 0.003(6) 0.001(5) O(6) 0.096(8) 0.037(5) 0.056(7) 0.004(5) -0.016(6) 0.003(5) C(1) 0.058(8) 0.035(6) 0.041(8) -0.011(6) -0.006(6) -0.010(5) C(2) 0.10(1) 0.046(8) 0.050(10) 0.015(8) 0.024(9) -0.008(7) C(3) 0.064(9) 0.041(7) 0.059(10) 0.012(6) -0.004(7) -0.002(7) C(4) 0.062(9) 0.056(8) 0.050(9) 0.032(7) 0.008(7) -0.016(7) C(5) 0.071(10) 0.07(1) 0.046(9) 0.029(8) 0.008(7) 0.024(8) C(6) 0.049(8) 0.08(1) 0.042(8) -0.009(7) 0.011(6) 0.006(8) C(7) 0.065(9) 0.045(7) 0.033(7) -0.007(6) 0.001(6) 0.002(6) C(8) 0.043(7) 0.049(7) 0.054(9) -0.017(6) 0.005(6) 0.008(7) C(9) 0.060(8) 0.035(6) 0.032(7) 0.006(6) 0.003(6) 0.003(5) C(10) 0.063(9) 0.049(8) 0.030(7) -0.010(6) 0.006(6) 0.003(6) C(11) 0.055(8) 0.043(7) 0.029(7) 0.010(6) -0.002(5) -0.002(5) C(12) 0.088(10) 0.039(7) 0.023(7) 0.006(7) 0.002(6) 0.000(5) C(13) 0.11(1) 0.027(6) 0.036(8) 0.028(7) -0.010(8) 0.002(5) C(14) 0.08(1) 0.056(9) 0.06(1) 0.016(8) 0.002(9) 0.003(8) C(15) 0.060(9) 0.062(9) 0.040(8) -0.002(7) -0.012(7) 0.007(7) C(16) 0.050(7) 0.038(7) 0.047(8) 0.007(6) 0.002(6) -0.010(6) C(17) 0.052(8) 0.037(7) 0.058(9) -0.001(6) -0.011(6) 0.000(6) C(18) 0.051(7) 0.025(5) 0.032(7) 0.004(5) -0.006(5) -0.001(5) C(19) 0.075(9) 0.038(6) 0.019(6) 0.001(6) 0.008(6) -0.009(5) C(20) 0.039(6) 0.052(7) 0.031(7) -0.009(5) -0.005(5) 0.002(5) C(21) 0.057(8) 0.041(7) 0.055(9) -0.009(6) -0.006(6) 0.024(6) C(22) 0.070(9) 0.029(6) 0.038(7) -0.008(6) -0.006(6) -0.012(5) C(23) 0.071(8) 0.029(6) 0.018(6) 0.014(6) -0.006(5) -0.004(4) C(24) 0.039(6) 0.033(6) 0.026(6) 0.004(5) -0.005(5) -0.007(5) C(25) 0.059(9) 0.051(8) 0.047(9) 0.010(7) -0.007(7) -0.004(7) C(26) 0.059(9) 0.07(1) 0.05(1) -0.006(8) -0.003(7) -0.005(8) #------------------------------------------------------------------------------ _refine_special_details ; Refinement based on F against all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F, conventional R-factors (R) are calculated on F, with F set to zero for negative F. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. thus the refinement was done using all reflections. ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w = 1/[\s^2^(Fo) + 0.00090|Fo|^2^]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 3659 _refine_ls_number_parameters 379 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0983 _refine_ls_R_factor_gt 0.0983 _refine_ls_wR_factor_all ? _refine_ls_wR_factor_ref 0.1587 _refine_ls_wR_factor_gt 0.1587 _refine_ls_goodness_of_fit_all ? _refine_ls_goodness_of_fit_ref 4.174 _refine_ls_shift/su_max 0.0010 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_min -1.68 _refine_diff_density_max 1.73 #------------------------------------------------------------------------------ _geom_special_details ; ? ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag(1) O(3) 2.391(9) 1_555 1_555 yes Ag(1) O(5) 2.39(1) 1_555 1_555 yes Ag(1) O(6) 2.42(1) 1_555 1_545 yes Ag(1) C(1) 2.46(1) 1_555 1_555 yes Ag(1) C(2) 2.42(1) 1_555 1_555 yes Ag(2) O(1) 2.440(9) 1_555 1_545 yes Ag(2) O(2) 2.420(8) 1_555 1_555 yes Ag(2) O(4) 2.411(8) 1_555 1_555 yes Ag(2) C(12) 2.41(1) 1_555 4_575 yes Ag(2) C(13) 2.48(1) 1_555 4_575 yes S(1) O(1) 1.438(9) 1_555 1_555 yes S(1) O(2) 1.431(9) 1_555 1_555 yes S(1) O(3) 1.476(10) 1_555 1_555 yes S(1) C(25) 1.84(1) 1_555 1_555 yes S(2) O(4) 1.436(10) 1_555 1_555 yes S(2) O(5) 1.45(1) 1_555 1_555 yes S(2) O(6) 1.435(10) 1_555 1_555 yes S(2) C(26) 1.79(2) 1_555 1_555 yes F(1) C(25) 1.35(2) 1_555 1_555 yes F(2) C(25) 1.31(2) 1_555 1_555 yes F(3) C(25) 1.31(2) 1_555 1_555 yes F(4) C(26) 1.27(2) 1_555 1_555 yes F(5) C(26) 1.31(2) 1_555 1_555 yes F(6) C(26) 1.36(2) 1_555 1_555 yes C(1) C(2) 1.37(2) 1_555 1_555 yes C(1) C(22) 1.40(2) 1_555 1_555 yes C(2) C(3) 1.36(2) 1_555 1_555 yes C(3) C(4) 1.39(2) 1_555 1_555 yes C(4) C(5) 1.45(2) 1_555 1_555 yes C(4) C(23) 1.43(2) 1_555 1_555 yes C(5) C(6) 1.41(2) 1_555 1_555 yes C(6) C(7) 1.42(2) 1_555 1_555 yes C(7) C(8) 1.38(2) 1_555 1_555 yes C(7) C(24) 1.47(2) 1_555 1_555 yes C(8) C(9) 1.43(2) 1_555 1_555 yes C(9) C(10) 1.42(2) 1_555 1_555 yes C(9) C(18) 1.40(2) 1_555 1_555 yes C(10) C(11) 1.37(2) 1_555 1_555 yes C(11) C(12) 1.45(2) 1_555 1_555 yes C(11) C(16) 1.44(2) 1_555 1_555 yes C(12) C(13) 1.39(2) 1_555 1_555 yes C(13) C(14) 1.38(2) 1_555 1_555 yes C(14) C(15) 1.33(2) 1_555 1_555 yes C(15) C(16) 1.43(2) 1_555 1_555 yes C(16) C(17) 1.35(2) 1_555 1_555 yes C(17) C(18) 1.43(2) 1_555 1_555 yes C(18) C(19) 1.43(2) 1_555 1_555 yes C(19) C(20) 1.47(2) 1_555 1_555 yes C(19) C(24) 1.36(2) 1_555 1_555 yes C(20) C(21) 1.39(2) 1_555 1_555 yes C(21) C(22) 1.41(2) 1_555 1_555 yes C(22) C(23) 1.41(2) 1_555 1_555 yes C(23) C(24) 1.46(2) 1_555 1_555 yes #------------------------------------------------------------------------------ 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O(3) Ag(1) O(5) 84.2(4) 1_555 1_555 1_555 yes O(3) Ag(1) O(6) 127.7(4) 1_555 1_555 1_545 yes O(3) Ag(1) C(1) 96.7(4) 1_555 1_555 1_555 yes O(3) Ag(1) C(2) 126.3(5) 1_555 1_555 1_555 yes O(5) Ag(1) O(6) 82.2(4) 1_555 1_555 1_545 yes O(5) Ag(1) C(1) 136.7(4) 1_555 1_555 1_555 yes O(5) Ag(1) C(2) 118.7(5) 1_555 1_555 1_555 yes O(6) Ag(1) C(1) 126.6(4) 1_545 1_555 1_555 yes O(6) Ag(1) C(2) 104.4(5) 1_545 1_555 1_555 yes C(1) Ag(1) C(2) 32.5(5) 1_555 1_555 1_555 yes O(1) Ag(2) O(2) 80.3(3) 1_545 1_555 1_555 yes O(1) Ag(2) O(4) 124.3(4) 1_545 1_555 1_555 yes O(1) Ag(2) C(12) 126.8(4) 1_545 1_555 4_575 yes O(1) Ag(2) C(13) 104.1(4) 1_545 1_555 4_575 yes O(2) Ag(2) O(4) 84.2(3) 1_555 1_555 1_555 yes O(2) Ag(2) C(12) 139.8(4) 1_555 1_555 4_575 yes O(2) Ag(2) C(13) 121.6(5) 1_555 1_555 4_575 yes O(4) Ag(2) C(12) 98.2(4) 1_555 1_555 4_575 yes O(4) Ag(2) C(13) 129.1(4) 1_555 1_555 4_575 yes C(12) Ag(2) C(13) 33.0(5) 4_575 1_555 4_575 yes O(1) S(1) O(2) 115.2(6) 1_555 1_555 1_555 yes O(1) S(1) O(3) 111.9(6) 1_555 1_555 1_555 yes O(1) S(1) C(25) 102.9(6) 1_555 1_555 1_555 yes O(2) S(1) O(3) 116.5(6) 1_555 1_555 1_555 yes O(2) S(1) C(25) 106.1(7) 1_555 1_555 1_555 yes O(3) S(1) C(25) 102.1(7) 1_555 1_555 1_555 yes O(4) S(2) O(5) 114.1(6) 1_555 1_555 1_555 yes O(4) S(2) O(6) 113.9(7) 1_555 1_555 1_555 yes O(4) S(2) C(26) 105.2(7) 1_555 1_555 1_555 yes O(5) S(2) O(6) 114.3(7) 1_555 1_555 1_555 yes O(5) S(2) C(26) 104.2(7) 1_555 1_555 1_555 yes O(6) S(2) C(26) 103.4(7) 1_555 1_555 1_555 yes Ag(2) O(1) S(1) 128.7(6) 1_565 1_555 1_555 yes Ag(2) O(2) S(1) 122.1(5) 1_555 1_555 1_555 yes Ag(1) O(3) S(1) 140.6(7) 1_555 1_555 1_555 yes Ag(2) O(4) S(2) 145.4(6) 1_555 1_555 1_555 yes Ag(1) O(5) S(2) 120.2(6) 1_555 1_555 1_555 yes Ag(1) O(6) S(2) 131.7(7) 1_565 1_555 1_555 yes Ag(1) C(1) C(2) 72.4(8) 1_555 1_555 1_555 yes Ag(1) C(1) C(22) 110.8(8) 1_555 1_555 1_555 yes Ag(1) C(1) H(1) 86.9(9) 1_555 1_555 1_555 no C(2) C(1) C(22) 122(1) 1_555 1_555 1_555 yes C(2) C(1) H(1) 117(1) 1_555 1_555 1_555 no C(22) C(1) H(1) 119(1) 1_555 1_555 1_555 no Ag(1) C(2) C(1) 75.1(8) 1_555 1_555 1_555 yes Ag(1) C(2) C(3) 108(1) 1_555 1_555 1_555 yes Ag(1) C(2) H(2) 84.3(10) 1_555 1_555 1_555 no C(1) C(2) C(3) 119(1) 1_555 1_555 1_555 yes C(1) C(2) H(2) 119(1) 1_555 1_555 1_555 no C(3) C(2) H(2) 120(1) 1_555 1_555 1_555 no C(2) C(3) C(4) 121(1) 1_555 1_555 1_555 yes C(2) C(3) H(3) 119(1) 1_555 1_555 1_555 no C(4) C(3) H(3) 118(1) 1_555 1_555 1_555 no C(3) C(4) C(5) 122(1) 1_555 1_555 1_555 yes C(3) C(4) C(23) 118(1) 1_555 1_555 1_555 yes C(5) C(4) C(23) 118(1) 1_555 1_555 1_555 yes C(4) C(5) C(6) 120(1) 1_555 1_555 1_555 yes C(4) C(5) H(4) 119(1) 1_555 1_555 1_555 no C(6) C(5) H(4) 119(1) 1_555 1_555 1_555 no C(5) C(6) C(7) 120(1) 1_555 1_555 1_555 yes C(5) C(6) H(5) 117(1) 1_555 1_555 1_555 no C(7) C(6) H(5) 121(1) 1_555 1_555 1_555 no C(6) C(7) C(8) 121(1) 1_555 1_555 1_555 yes C(6) C(7) C(24) 121(1) 1_555 1_555 1_555 yes C(8) C(7) C(24) 117(1) 1_555 1_555 1_555 yes C(7) C(8) C(9) 122(1) 1_555 1_555 1_555 yes C(7) C(8) H(6) 117(1) 1_555 1_555 1_555 no C(9) C(8) H(6) 119(1) 1_555 1_555 1_555 no C(8) C(9) C(10) 120(1) 1_555 1_555 1_555 yes C(8) C(9) C(18) 119(1) 1_555 1_555 1_555 yes C(10) C(9) C(18) 119(1) 1_555 1_555 1_555 yes C(9) C(10) C(11) 122(1) 1_555 1_555 1_555 yes C(9) C(10) H(7) 118(1) 1_555 1_555 1_555 no C(11) C(10) H(7) 119(1) 1_555 1_555 1_555 no C(10) C(11) C(12) 121(1) 1_555 1_555 1_555 yes C(10) C(11) C(16) 118(1) 1_555 1_555 1_555 yes C(12) C(11) C(16) 120(1) 1_555 1_555 1_555 yes Ag(2) C(12) C(11) 109.2(9) 4_574 1_555 1_555 yes Ag(2) C(12) C(13) 76.1(8) 4_574 1_555 1_555 yes Ag(2) C(12) H(8) 84.8(8) 4_574 1_555 1_555 no C(11) C(12) C(13) 117(1) 1_555 1_555 1_555 yes C(11) C(12) H(8) 121(1) 1_555 1_555 1_555 no C(13) C(12) H(8) 120(1) 1_555 1_555 1_555 no Ag(2) C(13) C(12) 70.9(8) 4_574 1_555 1_555 yes Ag(2) C(13) C(14) 110(1) 4_574 1_555 1_555 yes Ag(2) C(13) H(9) 89.0(10) 4_574 1_555 1_555 no C(12) C(13) C(14) 119(1) 1_555 1_555 1_555 yes C(12) C(13) H(9) 121(1) 1_555 1_555 1_555 no C(14) C(13) H(9) 119(1) 1_555 1_555 1_555 no C(13) C(14) C(15) 125(1) 1_555 1_555 1_555 yes C(13) C(14) H(10) 117(1) 1_555 1_555 1_555 no C(15) C(14) H(10) 117(1) 1_555 1_555 1_555 no C(14) C(15) C(16) 118(1) 1_555 1_555 1_555 yes C(14) C(15) H(11) 121(1) 1_555 1_555 1_555 no C(16) C(15) H(11) 119(1) 1_555 1_555 1_555 no C(11) C(16) C(15) 117(1) 1_555 1_555 1_555 yes C(11) C(16) C(17) 119(1) 1_555 1_555 1_555 yes C(15) C(16) C(17) 122(1) 1_555 1_555 1_555 yes C(16) C(17) C(18) 122(1) 1_555 1_555 1_555 yes C(16) C(17) H(12) 120(1) 1_555 1_555 1_555 no C(18) C(17) H(12) 116(1) 1_555 1_555 1_555 no C(9) C(18) C(17) 117(1) 1_555 1_555 1_555 yes C(9) C(18) C(19) 118(1) 1_555 1_555 1_555 yes C(17) C(18) C(19) 123(1) 1_555 1_555 1_555 yes C(18) C(19) C(20) 120(1) 1_555 1_555 1_555 yes C(18) C(19) C(24) 121(1) 1_555 1_555 1_555 yes C(20) C(19) C(24) 117(1) 1_555 1_555 1_555 yes C(19) C(20) C(21) 120(1) 1_555 1_555 1_555 yes C(19) C(20) H(13) 119(1) 1_555 1_555 1_555 no C(21) C(20) H(13) 119(1) 1_555 1_555 1_555 no C(20) C(21) C(22) 121(1) 1_555 1_555 1_555 yes C(20) C(21) H(14) 120(1) 1_555 1_555 1_555 no C(22) C(21) H(14) 117(1) 1_555 1_555 1_555 no C(1) C(22) C(21) 122(1) 1_555 1_555 1_555 yes C(1) C(22) C(23) 117(1) 1_555 1_555 1_555 yes C(21) C(22) C(23) 119(1) 1_555 1_555 1_555 yes C(4) C(23) C(22) 119(1) 1_555 1_555 1_555 yes C(4) C(23) C(24) 121(1) 1_555 1_555 1_555 yes C(22) C(23) C(24) 118(1) 1_555 1_555 1_555 yes C(7) C(24) C(19) 120(1) 1_555 1_555 1_555 yes C(7) C(24) C(23) 116(1) 1_555 1_555 1_555 yes C(19) C(24) C(23) 122(1) 1_555 1_555 1_555 yes S(1) C(25) F(1) 107(1) 1_555 1_555 1_555 yes S(1) C(25) F(2) 109(1) 1_555 1_555 1_555 yes S(1) C(25) F(3) 110(1) 1_555 1_555 1_555 yes F(1) C(25) F(2) 106(1) 1_555 1_555 1_555 yes F(1) C(25) F(3) 110(1) 1_555 1_555 1_555 yes F(2) C(25) F(3) 111(1) 1_555 1_555 1_555 yes S(2) C(26) F(4) 114(1) 1_555 1_555 1_555 yes S(2) C(26) F(5) 111(1) 1_555 1_555 1_555 yes S(2) C(26) F(6) 109(1) 1_555 1_555 1_555 yes F(4) C(26) F(5) 106(1) 1_555 1_555 1_555 yes F(4) C(26) F(6) 107(1) 1_555 1_555 1_555 yes F(5) C(26) F(6) 106(1) 1_555 1_555 1_555 yes #------------------------------------------------------------------------------ loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag F(1) F(2) 3.30(2) 1_555 1_565 ? F(1) C(15) 3.35(2) 1_555 3_685 ? F(1) C(17) 3.46(2) 1_555 3_685 ? F(1) C(20) 3.52(2) 1_555 3_675 ? F(1) C(21) 3.56(2) 1_555 3_675 ? F(2) F(3) 3.41(1) 1_555 3_675 ? F(3) F(3) 3.59(2) 1_555 3_685 ? F(4) F(6) 3.29(2) 1_555 1_565 ? F(4) C(8) 3.52(2) 1_555 3_785 ? F(4) F(6) 3.58(2) 1_555 2_755 ? F(5) F(6) 3.29(1) 1_555 2_755 ? F(5) F(6) 3.34(2) 1_555 1_565 ? O(1) O(2) 3.13(1) 1_555 1_565 ? O(1) O(3) 3.23(1) 1_555 1_565 ? O(2) C(13) 3.48(2) 1_555 4_585 ? O(3) C(1) 3.38(2) 1_555 1_565 ? O(3) C(2) 3.60(2) 1_555 1_565 ? O(4) C(12) 3.40(2) 1_555 4_585 ? O(5) C(2) 3.53(2) 1_555 1_565 ? C(5) C(5) 3.56(3) 1_555 3_775 ? C(10) C(24) 3.59(2) 1_555 1_565 ? C(11) C(19) 3.55(2) 1_555 1_565 ? C(11) C(18) 3.56(2) 1_555 1_565 ? C(12) C(18) 3.51(2) 1_555 1_565 ? C(12) C(17) 3.55(2) 1_555 1_565 ? C(13) C(17) 3.42(2) 1_555 1_565 ? C(13) C(16) 3.48(2) 1_555 1_565 ? C(16) C(20) 3.56(2) 1_555 1_565 ? C(17) C(20) 3.56(2) 1_555 1_565 ? C(18) C(22) 3.59(2) 1_555 1_565 ? C(19) C(22) 3.58(2) 1_555 1_565 ? Ag(1) O(1) 2.85(1) 1_555 1_545 ? Ag(2) O(6) 2.85(1) 1_555 1_545 ? #------------------------------------------------------------------------------ _publ_contact_author_name ' ENTER NAME' _publ_contact_author_address ; ENTER ADDRESS ; _publ_contact_author_email ' ENTER EMAIL ADDRESS ' _publ_contact_author_fax ' ENTER FAX NUMBER ' _publ_contact_author_phone ' ENTER PHONE NUMBER ' _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_journal ' ENTER JOURNAL NAME HERE' _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_requested_coeditor_name ? _publ_section_title ; ENTER SECTION TITLE ; _publ_section_title_footnote ; ENTER FOOTNOTE TO TITLE OF PAPER ; loop_ _publ_author_name _publ_author_footnote _publ_author_address' FIRST AUTHORS NAME ' ; FIRST AUTHORS ADDRESS ; _publ_section_synopsis ; ENTER SYNOPSIS ; _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_comment ; ENTER TEXT ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_experimental ; ENTER EXPERIMENTAL SECTION ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation, Rigaku Corporation. (1998). teXsan. Single Crystal Structure Analysis Software. Version 1.9. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Rigaku, 3-9-12 Akishima, Tokyo, Japan. ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; _publ_section_exptl_prep ; ENTER COMPOUND PREPARATION DETAILS ; _publ_section_exptl_refinement ; ENTER SPECIAL DETAILS OF THE REFINEMENT ; #===END