# Copyright The Royal Society of Chemistry, 1998 data_clascy _audit_creation_date 97-11-27 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common 'AgCl:As(C6H11)3 (1:1)' #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum ? #ActaC _chemical_formula_weight ? #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #ActaC _computing_data_reduction xtal_DIFDAT_SORTRF_ADDREF_ABSORB #ActaC _computing_structure_solution xtal #ActaC _computing_structure_refinement xtal_CRYLSQ #ActaC _computing_molecular_graphics xtal #ActaC _computing_publication_material xtal_BONDLA_CIFIO #ActaC _cell_length_a 8.827(2) #ActaC _cell_length_b 9.451(2) #ActaC _cell_length_c 13.338(5) #ActaC _cell_angle_alpha 99.41(3) #ActaC _cell_angle_beta 93.66(2) #ActaC _cell_angle_gamma 114.96(2) #ActaC _cell_volume 984.2(5) #ActaC _cell_formula_units_Z 2 #ActaC _cell_measurement_temperature 293 #ActaC _cell_measurement_reflns_used ? #ActaC _cell_measurement_theta_min ? #ActaC _cell_measurement_theta_max ? #ActaC _cell_special_details #ActaC ; ? ; _symmetry_cell_setting triclinic #ActaC _symmetry_space_group_name_H-M ? #ActaC _symmetry_space_group_name_Hall -P_1 #ActaC loop_ _symmetry_equiv_pos_as_xyz #ActaC +x,+y,+z -x,-y,-z _exptl_crystal_description ? #ActaC _exptl_crystal_preparation ? _exptl_crystal_colour ? #ActaC _exptl_crystal_size_max ? #ActaC _exptl_crystal_size_mid ? #ActaC _exptl_crystal_size_min ? #ActaC _exptl_crystal_density_diffrn 1.578 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 476 #ActaC _exptl_absorpt_process_details ? _exptl_absorpt_coefficient_mu ? #ActaC _exptl_absorpt_correction_type ? #ActaC _exptl_absorpt_correction_T_min ? #ActaC _exptl_absorpt_correction_T_max ? #ActaC _exptl_special_details #ActaC ; ? ; _diffrn_special_details ; ? ; _diffrn_ambient_temperature 293 #ActaC _diffrn_radiation_wavelength ? #ActaC _diffrn_radiation_type xray_tube #ActaC _diffrn_radiation_source ? #ActaC _diffrn_radiation_monochromator ? #ActaC _diffrn_radiation_detector ? #ActaC _diffrn_measurement_device CAD4 #ActaC _diffrn_measurement_method ? #ActaC _diffrn_standards_number ? #ActaC _diffrn_standards_interval_count ? #ActaC _diffrn_standards_interval_time ? #ActaC _diffrn_standards_decay_% ? #ActaC loop_ _diffrn_standard_refln_index_h #ActaC _diffrn_standard_refln_index_k #ActaC _diffrn_standard_refln_index_l #ActaC ? ? ? loop_ _diffrn_attenuator_code _diffrn_attenuator_scale ? ? _diffrn_reflns_number 4670 #ActaC _diffrn_reflns_av_R_equivalents .017 #ActaC _diffrn_reflns_av_sigmaI/netI .031 #ActaC _diffrn_reflns_limit_h_min 0 #ActaC _diffrn_reflns_limit_h_max 11 #ActaC _diffrn_reflns_limit_k_min -12 #ActaC _diffrn_reflns_limit_k_max 11 #ActaC _diffrn_reflns_limit_l_min -17 #ActaC _diffrn_reflns_limit_l_max 17 #ActaC _diffrn_reflns_theta_min 1.56 #ActaC _diffrn_reflns_theta_max 27.56 #ActaC _diffrn_reflns_reduction_process perpendicular_monochr_Lp #ActaC loop_ _atom_type_symbol #ActaC _atom_type_description #ActaC _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real #ActaC _atom_type_scat_dispersion_imag #ActaC _atom_type_scat_source #ActaC C ? 0 36 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 66 0 0 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Ag ? 0 2 -1.085 1.101 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 As ? 0 2 -.03 2.007 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Cl ? 0 2 .132 .159 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 loop_ _atom_site_label #ActaC _atom_site_fract_x #ActaC _atom_site_fract_y #ActaC _atom_site_fract_z #ActaC _atom_site_U_iso_or_equiv #ActaC _atom_site_thermal_displace_type #ActaC _atom_site_calc_flag #ActaC _atom_site_calc_attached_atom #ActaC Ag .86954(5) .04669(5) .07133(3) .0605(2) Uani ? ? Cl 1.19910(16) .13726(17) .09582(10) .0701(6) Uani ? ? As .76492(6) .16753(5) .21037(3) .0451(2) Uani ? ? C11 .6963(7) .3262(6) .1732(4) .055(2) Uani ? ? C12 .7007(9) .4544(7) .2613(5) .065(3) Uani ? ? C13 .6373(11) .5647(9) .2221(7) .088(4) Uani ? ? C14 .7322(11) .6356(9) .1388(6) .094(4) Uani ? ? C15 .7281(14) .5111(11) .0515(6) .095(4) Uani ? ? C16 .7898(9) .3994(8) .0902(5) .071(3) Uani ? ? C21 .5679(6) .0132(7) .2581(4) .059(2) Uani ? ? C22 .4991(8) .0825(7) .3437(4) .061(2) Uani ? ? C23 .3493(9) -.0457(10) .3763(5) .086(4) Uani ? ? C24 .2170(8) -.1537(8) .2892(6) .091(3) Uani ? ? C25 .2878(9) -.2253(8) .2051(6) .075(3) Uani ? ? C26 .4355(7) -.0982(7) .1702(4) .069(3) Uani ? ? C31 .9314(6) .2722(5) .3360(3) .047(2) Uani ? ? C32 .9633(8) .1501(7) .3838(5) .069(3) Uani ? ? C33 1.0977(9) .2292(11) .4779(6) .085(4) Uani ? ? C34 1.2599(7) .3511(8) .4540(5) .074(3) Uani ? ? C35 1.2293(7) .4742(7) .4079(5) .068(3) Uani ? ? C36 1.0947(6) .3968(6) .3134(4) .056(2) Uani ? ? H11 .590(7) .272(6) .142(4) .070(16) Uiso ? ? H12a .812(7) .514(6) .287(4) .066(17) Uiso ? ? H12e .626(7) .408(7) .313(4) .09(2) Uiso ? ? H13a .533(10) .515(9) .192(6) .15(4) Uiso ? ? H13e .645(8) .644(7) .286(5) .10(2) Uiso ? ? H14a .861(8) .717(7) .174(4) .10(2) Uiso ? ? H14e .695(7) .696(6) .121(4) .065(17) Uiso ? ? H15a .605(9) .455(8) .023(6) .13(3) Uiso ? ? H15e .804(11) .570(10) .016(7) .15(4) Uiso ? ? H16a .913(7) .459(6) .118(4) .064(16) Uiso ? ? H16e .797(7) .317(7) .034(4) .092(19) Uiso ? ? H21 .599(8) -.051(8) .276(5) .11(3) Uiso ? ? H22a .462(6) .146(6) .317(4) .054(16) Uiso ? ? H22e .586(6) .145(5) .408(4) .057(14) Uiso ? ? H23a .374(9) -.135(8) .393(5) .12(3) Uiso ? ? H23e .322(7) -.010(7) .420(4) .07(2) Uiso ? ? H24a .154(11) -.072(11) .249(6) .19(4) Uiso ? ? H24e .122(6) -.233(5) .306(3) .047(12) Uiso ? ? H25a .318(8) -.283(7) .224(5) .08(3) Uiso ? ? H25e .193(7) -.281(6) .147(4) .078(17) Uiso ? ? H26a .402(9) -.017(8) .131(5) .13(3) Uiso ? ? H26e .479(6) -.140(6) .115(4) .063(14) Uiso ? ? H31 .882(5) .318(5) .385(3) .049(12) Uiso ? ? H32a .984(6) .096(6) .337(4) .051(16) Uiso ? ? H32e .863(6) .073(6) .402(3) .060(14) Uiso ? ? H33a 1.060(8) .279(7) .536(5) .10(2) Uiso ? ? H33e 1.108(8) .169(7) .506(5) .08(2) Uiso ? ? H34a 1.298(7) .291(6) .405(4) .079(18) Uiso ? ? H34e 1.353(7) .402(6) .517(4) .077(16) Uiso ? ? H35a 1.187(7) .529(6) .457(4) .080(18) Uiso ? ? H35e 1.331(7) .548(6) .389(4) .068(15) Uiso ? ? H36a 1.140(7) .357(6) .264(4) .079(19) Uiso ? ? H36e 1.073(6) .474(6) .281(4) .079(17) Uiso ? ? loop_ _atom_site_aniso_label #ActaC _atom_site_aniso_U_11 #ActaC _atom_site_aniso_U_22 #ActaC _atom_site_aniso_U_33 #ActaC _atom_site_aniso_U_12 #ActaC _atom_site_aniso_U_13 #ActaC _atom_site_aniso_U_23 #ActaC Ag .0680(3) .0644(3) .0573(3) .0359(2) .0241(2) .0098(2) Cl .0494(7) .0867(10) .0628(8) .0318(7) -.0022(6) -.0157(7) As .0380(3) .0439(3) .0464(3) .0135(2) .0102(2) .0025(2) C11 .046(3) .059(3) .059(3) .026(3) .004(2) .008(2) C12 .076(4) .056(3) .068(4) .033(3) .019(3) .013(3) C13 .101(6) .070(4) .107(6) .050(4) .026(5) .018(4) C14 .109(6) .071(5) .115(6) .051(5) .002(5) .031(4) C15 .129(8) .099(6) .077(5) .066(6) .008(5) .029(4) C16 .090(5) .074(4) .059(3) .043(4) .013(3) .019(3) C21 .045(3) .054(3) .058(3) .007(2) .017(2) .001(3) C22 .063(3) .056(3) .055(3) .017(3) .023(3) .007(3) C23 .076(4) .090(5) .067(4) .013(4) .039(4) .006(4) C24 .064(4) .078(4) .101(5) .002(3) .040(4) .010(4) C25 .057(4) .059(4) .078(4) -.001(3) .016(3) .008(3) C26 .058(3) .055(3) .065(3) .003(3) .019(3) -.005(3) C31 .045(3) .048(3) .045(3) .018(2) .009(2) .006(2) C32 .054(3) .060(4) .084(4) .016(3) .008(3) .019(3) C33 .063(4) .109(6) .079(5) .027(4) .000(3) .045(5) C34 .050(3) .088(4) .078(4) .028(3) -.002(3) .009(4) C35 .048(3) .060(3) .074(4) .011(3) .003(3) -.003(3) C36 .044(3) .050(3) .061(3) .010(2) .002(2) .010(3) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details sfls:_F____sigma_weight______full_matrix _refine_ls_structure_factor_coef F #ActaC _refine_ls_matrix_type full #ActaC _refine_ls_weighting_scheme sigma #ActaC _refine_ls_hydrogen_treatment ? #ActaC _refine_ls_extinction_method Zachariasen #ActaC _refine_ls_extinction_coef 954(203) #ActaC _refine_ls_extinction_expression Eq22_p292_"Cryst._Comp."_Munksgaard_1970 _refine_ls_abs_structure_details none #ActaC _refine_ls_abs_structure_Flack 0 #ActaC _refine_ls_number_reflns 3121 #ActaC _refine_ls_number_parameters 323 #ActaC _refine_ls_number_restraints 0 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .055 #ActaC _refine_ls_R_factor_obs .036 #ActaC _refine_ls_wR_factor_all .042 #ActaC _refine_ls_wR_factor_obs .039 #ActaC _refine_ls_goodness_of_fit_all 1.593 #ActaC _refine_ls_goodness_of_fit_obs 1.812 #ActaC _refine_ls_shift/esd_max .036 #ActaC _refine_ls_shift/esd_mean .002 #ActaC _refine_diff_density_min -.534 #ActaC _refine_diff_density_max .565 #ActaC _geom_special_details ? #ActaC loop_ _geom_bond_atom_site_label_1 #ActaC _geom_bond_atom_site_label_2 #ActaC _geom_bond_distance #ActaC _geom_bond_site_symmetry_1 #ActaC _geom_bond_site_symmetry_2 #ActaC _geom_bond_publ_flag #ActaC Ag Cl 2.6435(16) . . ? Ag As 2.4519(9) . . ? Ag Cl 2.4559(15) . 2_755 ? As C11 1.958(7) . . ? As C21 1.965(5) . . ? As C31 1.966(4) . . ? C11 C12 1.529(8) . . ? C11 C16 1.506(9) . . ? C11 H11 .89(5) . . ? C12 C13 1.518(14) . . ? C12 H12a .91(5) . . ? C12 H12e 1.01(6) . . ? C13 C14 1.508(13) . . ? C13 H13a .87(8) . . ? C13 H13e 1.02(6) . . ? C14 C15 1.501(13) . . ? C14 H14a 1.09(5) . . ? C14 H14e .83(7) . . ? C15 C16 1.518(15) . . ? C15 H15a 1.00(7) . . ? C15 H15e .89(9) . . ? C16 H16a 1.00(5) . . ? C16 H16e 1.02(6) . . ? C21 C22 1.510(9) . . ? C21 C26 1.494(7) . . ? C21 H21 .82(9) . . ? C22 C23 1.517(9) . . ? C22 H22a .90(6) . . ? C22 H22e 1.02(4) . . ? C23 C24 1.480(8) . . ? C23 H23a 1.01(9) . . ? C23 H23e .73(6) . . ? C24 C25 1.518(11) . . ? C24 H24a 1.29(12) . . ? C24 H24e .93(4) . . ? C25 C26 1.516(9) . . ? C25 H25a .77(8) . . ? C25 H25e .99(5) . . ? C26 H26a 1.12(9) . . ? C26 H26e .96(5) . . ? C31 C32 1.519(10) . . ? C31 C36 1.515(6) . . ? C31 H31 .95(5) . . ? C32 C33 1.516(9) . . ? C32 H32a .82(5) . . ? C32 H32e .96(5) . . ? C33 C34 1.506(9) . . ? C33 H33a .99(7) . . ? C33 H33e .77(8) . . ? C34 C35 1.511(11) . . ? C34 H34a .96(6) . . ? C34 H34e 1.02(5) . . ? C35 C36 1.519(7) . . ? C35 H35a .96(6) . . ? C35 H35e .95(5) . . ? C36 H36a .90(6) . . ? C36 H36e .98(7) . . ? loop_ _geom_contact_atom_site_label_1 #ActaC _geom_contact_atom_site_label_2 #ActaC _geom_contact_distance #ActaC _geom_contact_site_symmetry_1 #ActaC _geom_contact_site_symmetry_2 #ActaC _geom_contact_publ_flag #ActaC Ag Ag 3.3809(9) . 2_755 ? Ag C11 3.697(7) . . ? Ag C14 3.831(9) . 1_545 ? Ag C16 3.661(9) . . ? Ag C21 3.713(6) . . ? Ag C26 3.886(6) . . ? Ag C31 3.690(4) . . ? Ag C36 3.932(5) . . ? Ag H14e 3.21(6) . 1_545 ? Ag H16e 2.99(7) . . ? Ag H26a 3.39(7) . 2_655 ? Ag H26e 3.28(5) . . ? Ag H36a 3.43(4) . . ? Cl Cl 3.8220(18) . 2_755 ? Cl As 4.3168(18) . . ? Cl C11 3.965(5) . 1_655 ? Cl C15 3.976(10) . 2_765 ? Cl C26 3.830(8) . 1_655 ? Cl C36 3.900(6) . . ? Cl H11 3.11(5) . 1_655 ? Cl H13a 3.49(7) . 1_655 ? Cl H15e 3.36(11) . 2_765 ? Cl H24a 3.00(10) . 1_655 ? Cl H26a 2.81(9) . 1_655 ? Cl H36a 3.03(6) . . ? As C12 2.979(8) . . ? As C16 2.865(8) . . ? As C22 2.953(6) . . ? As C26 2.872(5) . . ? As C32 2.880(8) . . ? As C36 2.873(4) . . ? As H11 2.37(7) . . ? As H16e 2.91(6) . . ? As H21 2.32(7) . . ? As H26a 2.94(6) . . ? As H26e 2.94(4) . . ? As H31 2.43(4) . . ? As H32a 2.85(6) . . ? As H36a 3.00(5) . . ? As H36e 2.97(4) . . ? C11 C13 2.515(12) . . ? C11 C14 2.921(11) . . ? C11 C15 2.517(12) . . ? C11 H12a 1.98(4) . . ? C11 H12e 2.13(6) . . ? C11 H16a 2.06(5) . . ? C11 H16e 2.12(6) . . ? C12 C14 2.500(11) . . ? C12 C15 2.940(11) . . ? C12 C16 2.506(9) . . ? C12 H11 1.98(4) . . ? C12 H13a 2.02(10) . . ? C12 H13e 2.03(8) . . ? C13 C15 2.505(13) . . ? C13 C16 2.919(13) . . ? C13 H12a 1.99(7) . . ? C13 H12e 2.04(7) . . ? C13 H14a 2.11(6) . . ? C13 H14e 1.93(6) . . ? C14 C16 2.487(13) . . ? C14 H13a 1.91(8) . . ? C14 H13e 2.16(7) . . ? C14 H15a 1.97(6) . . ? C14 H15e 1.90(10) . . ? C15 H14a 2.15(5) . . ? C15 H14e 1.98(6) . . ? C15 H16a 2.08(7) . . ? C15 H16e 2.15(7) . . ? C16 H11 1.92(5) . . ? C16 H15a 2.10(9) . . ? C16 H15e 1.99(10) . . ? C21 C23 2.508(9) . . ? C21 C24 2.917(8) . . ? C21 C25 2.499(7) . . ? C21 H22a 1.95(6) . . ? C21 H22e 2.13(5) . . ? C21 H26a 2.06(7) . . ? C21 H26e 2.08(4) . . ? C22 C24 2.502(7) . . ? C22 C25 2.929(8) . . ? C22 C26 2.514(8) . . ? C22 H21 1.96(8) . . ? C22 H23a 2.12(7) . . ? C22 H23e 1.89(6) . . ? C23 C25 2.488(10) . . ? C23 C26 2.920(10) . . ? C23 H22a 1.98(5) . . ? C23 H22e 2.06(4) . . ? C23 H24a 2.25(10) . . ? C23 H24e 2.06(4) . . ? C24 C26 2.514(10) . . ? C24 H23a 1.83(8) . . ? C24 H23e 1.92(5) . . ? C24 H25a 1.93(8) . . ? C24 H25e 2.01(5) . . ? C25 H23a 2.47(6) . . ? C25 H24a 2.26(12) . . ? C25 H24e 2.04(5) . . ? C25 H26a 2.23(7) . . ? C25 H26e 2.09(5) . . ? C26 H21 1.81(7) . . ? C26 H25a 1.91(6) . . ? C26 H25e 2.07(5) . . ? C31 C33 2.510(11) . . ? C31 C34 2.941(8) . . ? C31 C35 2.514(6) . . ? C31 H32a 1.91(6) . . ? C31 H32e 2.09(5) . . ? C31 H36a 2.05(6) . . ? C31 H36e 2.08(5) . . ? C32 C34 2.499(7) . . ? C32 C35 2.917(7) . . ? C32 C36 2.496(9) . . ? C32 H31 2.00(5) . . ? C32 H33a 2.10(6) . . ? C32 H33e 1.94(7) . . ? C33 C35 2.482(11) . . ? C33 C36 2.913(11) . . ? C33 H32a 2.01(4) . . ? C33 H32e 2.04(4) . . ? C33 H34a 1.99(6) . . ? C33 H34e 2.12(5) . . ? C34 C36 2.505(10) . . ? C34 H33a 2.06(7) . . ? C34 H33e 1.95(6) . . ? C34 H35a 2.03(7) . . ? C34 H35e 2.05(6) . . ? C35 H34a 2.05(7) . . ? C35 H34e 2.12(6) . . ? C35 H36a 1.98(5) . . ? C35 H36e 2.11(6) . . ? C36 H31 2.07(4) . . ? C36 H35a 2.02(5) . . ? C36 H35e 2.03(5) . . ? H12a H12e 1.62(8) . . ? H13a H13e 1.54(8) . . ? H14a H14e 1.50(9) . . ? H15a H15e 1.65(11) . . ? H16a H16e 1.53(6) . . ? H22a H22e 1.58(7) . . ? H23a H23e 1.45(11) . . ? H24a H24e 1.74(11) . . ? H25a H25e 1.47(10) . . ? H26a H26e 1.57(11) . . ? H32a H32e 1.39(7) . . ? H33a H33e 1.30(11) . . ? H34a H34e 1.59(7) . . ? H35a H35e 1.58(8) . . ? H36a H36e 1.45(10) . . ? loop_ _geom_angle_atom_site_label_1 #ActaC _geom_angle_atom_site_label_2 #ActaC _geom_angle_atom_site_label_3 #ActaC _geom_angle #ActaC _geom_angle_site_symmetry_1 #ActaC _geom_angle_site_symmetry_2 #ActaC _geom_angle_site_symmetry_3 #ActaC _geom_angle_publ_flag #ActaC Cl Ag As 115.77(4) . . . ? Cl Ag Cl 97.03(5) . . 2_755 ? As Ag Cl 147.21(4) . . 2_755 ? Ag Cl Ag 82.97(4) . . 2_755 ? Ag As C11 113.42(16) . . . ? Ag As C21 113.96(18) . . . ? Ag As C31 112.82(16) . . . ? C11 As C21 105.5(3) . . . ? C11 As C31 107.2(2) . . . ? C21 As C31 103.1(2) . . . ? As C11 C12 116.8(4) . . . ? As C11 C16 110.9(5) . . . ? As C11 H11 106(4) . . . ? C12 C11 C16 111.3(5) . . . ? C12 C11 H11 107(4) . . . ? C16 C11 H11 104(3) . . . ? C11 C12 C13 111.3(6) . . . ? C11 C12 H12a 105(4) . . . ? C11 C12 H12e 113(3) . . . ? C13 C12 H12a 107(4) . . . ? C13 C12 H12e 106(4) . . . ? H12a C12 H12e 115(5) . . . ? C12 C13 C14 111.4(8) . . . ? C12 C13 H13a 113(6) . . . ? C12 C13 H13e 105(4) . . . ? C14 C13 H13a 103(6) . . . ? C14 C13 H13e 116(4) . . . ? H13a C13 H13e 109(7) . . . ? C13 C14 C15 112.7(7) . . . ? C13 C14 H14a 107(3) . . . ? C13 C14 H14e 108(4) . . . ? C15 C14 H14a 112(4) . . . ? C15 C14 H14e 113(4) . . . ? H14a C14 H14e 103(5) . . . ? C14 C15 C16 111.0(7) . . . ? C14 C15 H15a 102(5) . . . ? C14 C15 H15e 102(6) . . . ? C16 C15 H15a 112(5) . . . ? C16 C15 H15e 108(8) . . . ? H15a C15 H15e 121(7) . . . ? C11 C16 C15 112.7(7) . . . ? C11 C16 H16a 108(3) . . . ? C11 C16 H16e 113(3) . . . ? C15 C16 H16a 110(3) . . . ? C15 C16 H16e 114(4) . . . ? H16a C16 H16e 98(5) . . . ? As C21 C22 115.7(4) . . . ? As C21 C26 111.5(4) . . . ? As C21 H21 105(5) . . . ? C22 C21 C26 113.6(5) . . . ? C22 C21 H21 111(5) . . . ? C26 C21 H21 98(4) . . . ? C21 C22 C23 111.9(5) . . . ? C21 C22 H22a 106(3) . . . ? C21 C22 H22e 113(3) . . . ? C23 C22 H22a 108(3) . . . ? C23 C22 H22e 107(3) . . . ? H22a C22 H22e 111(4) . . . ? C22 C23 C24 113.2(6) . . . ? C22 C23 H23a 112(4) . . . ? C22 C23 H23e 110(4) . . . ? C24 C23 H23a 93(3) . . . ? C24 C23 H23e 117(4) . . . ? H23a C23 H23e 111(7) . . . ? C23 C24 C25 112.2(6) . . . ? C23 C24 H24a 108(3) . . . ? C23 C24 H24e 116(2) . . . ? C25 C24 H24a 107(4) . . . ? C25 C24 H24e 111(3) . . . ? H24a C24 H24e 102(5) . . . ? C24 C25 C26 112.0(5) . . . ? C24 C25 H25a 110(5) . . . ? C24 C25 H25e 105(4) . . . ? C26 C25 H25a 109(5) . . . ? C26 C25 H25e 109(3) . . . ? H25a C25 H25e 112(5) . . . ? C21 C26 C25 112.3(5) . . . ? C21 C26 H26a 104(3) . . . ? C21 C26 H26e 114(3) . . . ? C25 C26 H26a 115(4) . . . ? C25 C26 H26e 113(3) . . . ? H26a C26 H26e 98(5) . . . ? As C31 C32 110.8(3) . . . ? As C31 C36 110.6(3) . . . ? As C31 H31 107(3) . . . ? C32 C31 C36 110.8(5) . . . ? C32 C31 H31 105(3) . . . ? C36 C31 H31 112(2) . . . ? C31 C32 C33 111.6(6) . . . ? C31 C32 H32a 106(4) . . . ? C31 C32 H32e 113(4) . . . ? C33 C32 H32a 115(4) . . . ? C33 C32 H32e 109(3) . . . ? H32a C32 H32e 102(4) . . . ? C32 C33 C34 111.6(6) . . . ? C32 C33 H33a 113(4) . . . ? C32 C33 H33e 113(4) . . . ? C34 C33 H33a 110(3) . . . ? C34 C33 H33e 114(5) . . . ? H33a C33 H33e 95(7) . . . ? C33 C34 C35 110.7(7) . . . ? C33 C34 H34a 105(3) . . . ? C33 C34 H34e 112(3) . . . ? C35 C34 H34a 110(4) . . . ? C35 C34 H34e 112(3) . . . ? H34a C34 H34e 106(5) . . . ? C34 C35 C36 111.5(5) . . . ? C34 C35 H35a 109(4) . . . ? C34 C35 H35e 111(4) . . . ? C36 C35 H35a 107(3) . . . ? C36 C35 H35e 108(3) . . . ? H35a C35 H35e 111(4) . . . ? C31 C36 C35 111.9(5) . . . ? C31 C36 H36a 113(3) . . . ? C31 C36 H36e 111(3) . . . ? C35 C36 H36a 107(3) . . . ? C35 C36 H36e 113(2) . . . ? H36a C36 H36e 100(5) . . . ? loop_ _geom_torsion_atom_site_label_1 #ActaC _geom_torsion_atom_site_label_2 #ActaC _geom_torsion_atom_site_label_3 #ActaC _geom_torsion_atom_site_label_4 #ActaC _geom_torsion #ActaC _geom_torsion_site_symmetry_1 #ActaC _geom_torsion_site_symmetry_2 #ActaC _geom_torsion_site_symmetry_3 #ActaC _geom_torsion_site_symmetry_4 #ActaC _geom_torsion_publ_flag #ActaC ? ? ? ? ? ? ? ? ? ? _reflns_limit_h_min 0 _reflns_limit_h_max 11 _reflns_limit_k_min -12 _reflns_limit_k_max 11 _reflns_limit_l_min -17 _reflns_limit_l_max 17 _reflns_number_total 4519 #ActaC _reflns_number_observed 3121 #ActaC _reflns_observed_criterion refl_observed_if_F____>_.000_sigma(F___) _reflns_d_resolution_high .768 _reflns_d_resolution_low 12.979 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? .849717 #=END data_ascyno _audit_creation_date 97-11-24 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common 'AgNO3:As(C6H11)3 (1:1)' #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum ? #ActaC _chemical_formula_weight ? #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #ActaC _computing_data_reduction xtal_DIFDAT_SORTRF_ADDREF_ABSORB #ActaC _computing_structure_solution xtal #ActaC _computing_structure_refinement xtal_CRYLSQ #ActaC _computing_molecular_graphics xtal #ActaC _computing_publication_material xtal_BONDLA_CIFIO #ActaC _cell_length_a 9.244(3) #ActaC _cell_length_b 9.628(3) #ActaC _cell_length_c 13.343(2) #ActaC _cell_angle_alpha 96.77(2) #ActaC _cell_angle_beta 90.72(2) #ActaC _cell_angle_gamma 117.32(3) #ActaC _cell_volume 1044.7(6) #ActaC _cell_formula_units_Z 2 #ActaC _cell_measurement_temperature 293 #ActaC _cell_measurement_reflns_used ? #ActaC _cell_measurement_theta_min ? #ActaC _cell_measurement_theta_max ? #ActaC _cell_special_details #ActaC ; ? ; _symmetry_cell_setting triclinic #ActaC _symmetry_space_group_name_H-M p_-1 #ActaC _symmetry_space_group_name_Hall -p_1 #ActaC loop_ _symmetry_equiv_pos_as_xyz #ActaC +x,+y,+z -x,-y,-z _exptl_crystal_description ? #ActaC _exptl_crystal_preparation ? _exptl_crystal_colour ? #ActaC _exptl_crystal_size_max ? #ActaC _exptl_crystal_size_mid ? #ActaC _exptl_crystal_size_min ? #ActaC _exptl_crystal_density_diffrn 1.571 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 504 #ActaC _exptl_absorpt_process_details ? _exptl_absorpt_coefficient_mu ? #ActaC _exptl_absorpt_correction_type ? #ActaC _exptl_absorpt_correction_T_min ? #ActaC _exptl_absorpt_correction_T_max ? #ActaC _exptl_special_details #ActaC ; ? ; _diffrn_special_details ; ? ; _diffrn_ambient_temperature 293 #ActaC _diffrn_radiation_wavelength ? #ActaC _diffrn_radiation_type xray_tube #ActaC _diffrn_radiation_source ? #ActaC _diffrn_radiation_monochromator ? #ActaC _diffrn_radiation_detector ? #ActaC _diffrn_measurement_device CAD4 #ActaC _diffrn_measurement_method ? #ActaC _diffrn_standards_number ? #ActaC _diffrn_standards_interval_count ? #ActaC _diffrn_standards_interval_time ? #ActaC _diffrn_standards_decay_% ? #ActaC loop_ _diffrn_standard_refln_index_h #ActaC _diffrn_standard_refln_index_k #ActaC _diffrn_standard_refln_index_l #ActaC ? ? ? loop_ _diffrn_attenuator_code _diffrn_attenuator_scale ? ? _diffrn_reflns_number 3669 #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI .026 #ActaC _diffrn_reflns_limit_h_min 0 #ActaC _diffrn_reflns_limit_h_max 10 #ActaC _diffrn_reflns_limit_k_min -11 #ActaC _diffrn_reflns_limit_k_max 10 #ActaC _diffrn_reflns_limit_l_min -15 #ActaC _diffrn_reflns_limit_l_max 15 #ActaC _diffrn_reflns_theta_min 1.54 #ActaC _diffrn_reflns_theta_max 24.99 #ActaC _diffrn_reflns_reduction_process perpendicular_monochr_Lp #ActaC loop_ _atom_type_symbol #ActaC _atom_type_description #ActaC _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real #ActaC _atom_type_scat_dispersion_imag #ActaC _atom_type_scat_source #ActaC C ? 0 36 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 66 0 0 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Ag ? 0 2 -1.085 1.101 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 As ? 0 2 -.03 2.007 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 N ? 0 2 .004 .003 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 O ? 0 6 .008 .006 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 loop_ _atom_site_label #ActaC _atom_site_fract_x #ActaC _atom_site_fract_y #ActaC _atom_site_fract_z #ActaC _atom_site_U_iso_or_equiv #ActaC _atom_site_thermal_displace_type #ActaC _atom_site_calc_flag #ActaC _atom_site_calc_attached_atom #ActaC Ag .88826(6) .09055(5) .08085(3) .0756(3) Uani ? ? N 1.2641(7) .1497(7) .0985(4) .085(3) Uani ? ? O1 1.1234(5) .0414(6) .0741(3) .094(2) Uani ? ? O2 1.3682(7) .1620(8) .0393(4) .137(4) Uani ? ? O3 1.2961(6) .2401(7) .1750(4) .115(3) Uani ? ? As .80586(6) .22139(6) .21727(4) .0574(3) Uani ? ? C11 .7745(13) .3970(11) .1829(5) .128(6) Uani ? ? C12 .7576(8) .5035(7) .2657(5) .081(3) Uani ? ? C13 .7253(13) .6310(11) .2343(7) .128(6) Uani ? ? C14 .776(2) .6794(13) .1430(9) .195(10) Uani ? ? C15 .7881(12) .5753(11) .0593(6) .123(6) Uani ? ? C16 .8153(13) .4417(10) .0901(6) .131(6) Uani ? ? C21 .5925(8) .0760(10) .2592(5) .115(4) Uani ? ? C22 .5380(8) .1209(7) .3533(4) .076(3) Uani ? ? C23 .3730(8) .0012(12) .3799(5) .118(5) Uani ? ? C24 .2779(16) -.1247(11) .3136(11) .243(9) Uani ? ? C25 .3350(9) -.1717(8) .2223(6) .103(4) Uani ? ? C26 .4989(12) -.0558(9) .1933(7) .152(6) Uani ? ? C31 .9554(6) .2994(6) .3405(4) .056(2) Uani ? ? C32 .9741(7) .1654(7) .3772(5) .077(3) Uani ? ? C33 1.0956(8) .2235(9) .4695(5) .099(4) Uani ? ? C34 1.2599(8) .3541(9) .4483(5) .090(4) Uani ? ? C35 1.2412(8) .4857(8) .4131(6) .094(4) Uani ? ? C36 1.1192(7) .4295(6) .3212(5) .072(3) Uani ? ? H11 .66112 .34731 .16528 .19460 Uiso ? ? H12a .85529 .55181 .30875 .10270 Uiso ? ? H12e .66879 .44063 .30256 .10270 Uiso ? ? H13a .61164 .59625 .23448 .18360 Uiso ? ? H13e .78182 .72162 .28365 .18360 Uiso ? ? H14a .87528 .76668 .15532 .28580 Uiso ? ? H14e .69376 .70478 .11830 .28580 Uiso ? ? H15a .69301 .53158 .01470 .17040 Uiso ? ? H15e .88050 .63873 .02464 .17040 Uiso ? ? H16a .92642 .47012 .08590 .18140 Uiso ? ? H16e .75055 .35099 .04211 .18140 Uiso ? ? H21 .63688 .01892 .29308 .11570 Uiso ? ? H22a .53271 .21642 .34734 .09970 Uiso ? ? H22e .61598 .14016 .40701 .09970 Uiso ? ? H23a .39163 -.03588 .43914 .13390 Uiso ? ? H23e .31171 .05731 .39573 .13390 Uiso ? ? H24a .18980 -.10933 .29290 .24640 Uiso ? ? H24e .24259 -.21174 .35027 .24640 Uiso ? ? H25a .33817 -.26737 .22919 .11750 Uiso ? ? H25e .25730 -.19037 .16819 .11750 Uiso ? ? H26a .48309 -.02216 .13316 .15710 Uiso ? ? H26e .56130 -.11249 .18219 .15710 Uiso ? ? H31 .91046 .34166 .39222 .07000 Uiso ? ? H32a 1.01192 .11768 .32417 .09580 Uiso ? ? H32e .87089 .08854 .39414 .09580 Uiso ? ? H33a 1.05321 .26324 .52389 .12600 Uiso ? ? H33e 1.10955 .13787 .48778 .12600 Uiso ? ? H34a 1.30666 .31255 .39760 .11130 Uiso ? ? H34e 1.33063 .39269 .50868 .11130 Uiso ? ? H35a 1.20424 .53290 .46634 .10890 Uiso ? ? H35e 1.34451 .56186 .39576 .10890 Uiso ? ? H36a 1.16136 .39114 .26574 .08610 Uiso ? ? H36e 1.10583 .51631 .30409 .08610 Uiso ? ? loop_ _atom_site_aniso_label #ActaC _atom_site_aniso_U_11 #ActaC _atom_site_aniso_U_22 #ActaC _atom_site_aniso_U_33 #ActaC _atom_site_aniso_U_12 #ActaC _atom_site_aniso_U_13 #ActaC _atom_site_aniso_U_23 #ActaC Ag .0785(4) .0699(3) .0764(4) .0348(3) .0213(2) -.0003(2) N .077(4) .113(4) .074(4) .060(4) -.020(3) -.020(3) O1 .061(3) .102(3) .108(3) .040(3) -.009(2) -.032(3) O2 .087(4) .192(6) .097(4) .048(4) .002(3) -.041(4) O3 .097(4) .145(5) .088(3) .061(3) -.024(3) -.051(3) As .0529(3) .0623(4) .0562(3) .0279(3) .0032(2) .0004(3) C11 .237(11) .168(8) .063(4) .166(8) .006(5) .015(5) C12 .096(5) .058(3) .087(4) .036(3) .010(4) .005(3) C13 .197(10) .123(7) .117(7) .121(7) .006(6) .014(5) C14 .37(2) .145(9) .167(10) .179(12) .132(12) .094(8) C15 .160(8) .140(8) .106(6) .091(7) .027(6) .059(6) C16 .219(10) .110(6) .105(6) .100(7) .074(6) .058(5) C21 .051(4) .156(7) .075(4) .007(4) .008(3) -.037(5) C22 .089(4) .078(4) .072(4) .045(4) .026(3) .019(3) C23 .063(4) .182(9) .077(5) .032(5) .017(4) .003(5) C24 .214(13) .095(7) .271(15) -.040(7) .182(12) -.054(8) C25 .093(5) .069(4) .118(6) .014(4) .027(4) .003(4) C26 .149(8) .068(5) .159(8) -.012(5) .093(7) -.020(5) C31 .052(3) .059(3) .057(3) .027(3) .001(2) -.001(2) C32 .063(4) .073(4) .091(4) .027(3) -.003(3) .023(3) C33 .079(5) .129(6) .095(5) .050(5) -.004(4) .036(5) C34 .067(4) .116(6) .084(5) .044(4) -.013(3) -.003(4) C35 .060(4) .087(5) .113(5) .024(4) -.011(4) -.019(4) C36 .059(3) .058(3) .090(4) .021(3) -.003(3) .007(3) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details sfls:_F____sigma_weight______full_matrix _refine_ls_structure_factor_coef F #ActaC _refine_ls_matrix_type full #ActaC _refine_ls_weighting_scheme sigma #ActaC _refine_ls_hydrogen_treatment ? #ActaC _refine_ls_extinction_method Zachariasen #ActaC _refine_ls_extinction_coef 4924(423) #ActaC _refine_ls_extinction_expression Eq22_p292_"Cryst._Comp."_Munksgaard_1970 _refine_ls_abs_structure_details none #ActaC _refine_ls_abs_structure_Flack 0 #ActaC _refine_ls_number_reflns 2809 #ActaC _refine_ls_number_parameters 218 #ActaC _refine_ls_number_restraints 0 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .052 #ActaC _refine_ls_R_factor_obs .04 #ActaC _refine_ls_wR_factor_all .049 #ActaC _refine_ls_wR_factor_obs .047 #ActaC _refine_ls_goodness_of_fit_all 2.359 #ActaC _refine_ls_goodness_of_fit_obs 2.648 #ActaC _refine_ls_shift/esd_max .044 #ActaC _refine_ls_shift/esd_mean .001 #ActaC _refine_diff_density_min -.666 #ActaC _refine_diff_density_max .554 #ActaC _geom_special_details ? #ActaC loop_ _geom_bond_atom_site_label_1 #ActaC _geom_bond_atom_site_label_2 #ActaC _geom_bond_distance #ActaC _geom_bond_site_symmetry_1 #ActaC _geom_bond_site_symmetry_2 #ActaC _geom_bond_publ_flag #ActaC Ag O1 2.428(6) . . ? Ag O2 2.792(5) . 2_755 ? Ag As 2.4197(9) . . ? Ag O1 2.269(5) . 2_755 ? N O1 1.245(6) . . ? N O3 1.197(8) . . ? N O2 1.225(9) . . ? As C11 1.945(12) . . ? As C21 1.960(6) . . ? As C31 1.969(5) . . ? C11 C12 1.476(12) . . ? C11 C16 1.359(11) . . ? C11 H11 .943(10) . . ? C12 C13 1.493(15) . . ? C12 H12a .949(6) . . ? C12 H12e .952(6) . . ? C13 C14 1.367(15) . . ? C13 H13a .945(12) . . ? C13 H13e .952(8) . . ? C14 C15 1.452(17) . . ? C14 H14a .913(12) . . ? C14 H14e .962(18) . . ? C15 C16 1.519(17) . . ? C15 H15a .944(9) . . ? C15 H15e .956(9) . . ? C16 H16a .938(12) . . ? C16 H16e .954(7) . . ? C21 C22 1.452(10) . . ? C21 C26 1.357(10) . . ? C21 H21 .967(10) . . ? C22 C23 1.509(9) . . ? C22 H22a .955(8) . . ? C22 H22e .949(7) . . ? C23 C24 1.332(12) . . ? C23 H23a .949(9) . . ? C23 H23e .957(11) . . ? C24 C25 1.439(16) . . ? C24 H24a .936(16) . . ? C24 H24e .947(12) . . ? C25 C26 1.501(11) . . ? C25 H25a .950(9) . . ? C25 H25e .953(8) . . ? C26 H26a .934(10) . . ? C26 H26e .962(12) . . ? C31 C32 1.512(10) . . ? C31 C36 1.508(7) . . ? C31 H31 .954(6) . . ? C32 C33 1.521(9) . . ? C32 H32a .955(7) . . ? C32 H32e .952(5) . . ? C33 C34 1.520(9) . . ? C33 H33a .952(8) . . ? C33 H33e .949(10) . . ? C34 C35 1.482(13) . . ? C34 H34a .952(8) . . ? C34 H34e .953(6) . . ? C35 C36 1.522(9) . . ? C35 H35a .949(8) . . ? C35 H35e .952(6) . . ? C36 H36a .954(7) . . ? C36 H36e .951(7) . . ? loop_ _geom_contact_atom_site_label_1 #ActaC _geom_contact_atom_site_label_2 #ActaC _geom_contact_distance #ActaC _geom_contact_site_symmetry_1 #ActaC _geom_contact_site_symmetry_2 #ActaC _geom_contact_publ_flag #ActaC Ag Ag 3.8073(10) . 2_755 ? Ag N 2.946(5) . 2_755 ? Ag N 3.253(7) . . ? Ag O2 4.221(7) . . ? Ag O3 3.512(5) . . ? Ag O3 4.123(5) . 2_755 ? Ag C11 3.688(12) . . ? Ag C13 4.704(10) . 1_545 ? Ag C14 3.802(13) . 1_545 ? Ag C14 4.353(13) . 2_765 ? Ag C15 4.581(11) . 1_545 ? Ag C15 3.940(9) . 2_765 ? Ag C16 3.728(12) . . ? Ag C21 3.612(7) . . ? Ag C25 4.822(9) . 2_655 ? Ag C26 3.629(10) . . ? Ag C31 3.686(5) . . ? Ag C32 3.938(6) . . ? Ag C36 4.056(5) . . ? Ag H11 3.9946(11) . . ? Ag H14a 3.3340(11) . 1_545 ? Ag H14a 3.8774(7) . 2_765 ? Ag H14e 3.4070(11) . 1_545 ? Ag H15e 3.0283(7) . 2_765 ? Ag H16a 3.4989(13) . . ? Ag H16e 3.3756(10) . . ? Ag H21 3.6124(7) . . ? Ag H25e 3.9502(7) . 2_655 ? Ag H26a 4.1962(10) . 2_655 ? Ag H26a 3.4937(13) . . ? Ag H26e 3.1760(9) . . ? Ag H32a 3.3687(7) . . ? Ag H32e 4.1873(8) . . ? Ag H36a 3.5055(7) . . ? N N 4.902(8) . 2_755 ? N O1 3.777(7) . 2_755 ? N As 4.944(7) . 1_655 ? N As 4.851(7) . . ? N C11 4.257(12) . 1_655 ? N C14 3.872(15) . 2_765 ? N C15 3.759(14) . 2_765 ? N C21 4.061(11) . 1_655 ? N C22 4.325(10) . 1_655 ? N C24 4.163(16) . 1_655 ? N C25 3.972(12) . 1_655 ? N C26 3.833(14) . 1_655 ? N H11 3.315(6) . 1_655 ? N H14e 3.311(6) . 2_765 ? N H15a 3.441(7) . 2_765 ? N H15e 3.445(8) . 2_765 ? N H24a 3.664(6) . 1_655 ? N H25e 3.482(8) . 1_655 ? N H26a 3.207(8) . 1_655 ? N H36a 3.485(7) . . ? O1 O1 2.756(7) . 2_755 ? O1 O2 2.104(7) . . ? O1 O3 2.134(6) . . ? O1 As 4.393(6) . . ? O1 C14 3.724(12) . 1_545 ? O1 H14a 2.933(4) . 1_545 ? O2 O3 2.112(8) 2_755 2_755 ? O2 As 4.433(7) 2_755 2_655 ? O2 As 4.400(6) 2_755 . ? O2 C11 3.728(10) 2_755 2_655 ? O2 C14 3.560(17) 2_755 1_545 ? O2 C15 3.782(15) 2_755 1_545 ? O2 C16 3.751(11) 2_755 2_655 ? O2 C21 3.948(11) 2_755 2_655 ? O2 C26 3.655(13) 2_755 2_655 ? O2 C26 3.562(12) 2_755 . ? O2 H11 2.843(5) 2_755 2_655 ? O2 H14e 2.770(7) 2_755 1_545 ? O2 H16e 3.143(5) 2_755 2_655 ? O2 H26a 2.839(8) 2_755 2_655 ? O2 H26a 3.169(7) 2_755 . ? O2 H26e 3.063(6) 2_755 . ? O3 As 4.497(6) . . ? O3 C11 3.959(12) . 1_655 ? O3 C12 3.913(8) . 1_655 ? O3 C21 3.948(12) . 1_655 ? O3 C22 3.853(10) . 1_655 ? O3 C32 3.918(8) . . ? O3 C34 3.747(8) . . ? O3 C35 3.913(10) . . ? O3 C36 3.432(9) . . ? O3 H11 3.052(5) . 1_655 ? O3 H22a 3.253(6) . 1_655 ? O3 H32a 3.177(5) . . ? O3 H34a 2.960(5) . . ? O3 H36a 2.533(7) . . ? As C12 2.949(8) . . ? As C13 4.319(12) . . ? As C15 4.276(11) . . ? As C16 2.840(10) . . ? As C22 2.948(6) . . ? As C23 4.328(7) . . ? As C25 4.268(6) . . ? As C26 2.846(7) . . ? As C32 2.867(7) . . ? As C33 4.266(8) . . ? As C35 4.274(6) . . ? As C36 2.871(5) . . ? As H11 2.3249(9) . . ? As H12a 3.0912(11) . . ? As H12e 3.0465(9) . . ? As H16a 2.9392(8) . . ? As H16e 2.9196(7) . . ? As H21 2.2300(7) . . ? As H22a 3.0675(9) . . ? As H22e 3.0693(7) . . ? As H26a 2.9212(9) . . ? As H26e 2.9345(10) . . ? As H31 2.4502(6) . . ? As H32a 2.9450(9) . . ? As H32e 2.9915(7) . . ? As H36a 2.9421(11) . . ? As H36e 3.0017(8) . . ? C11 C13 2.518(17) . . ? C11 C14 2.826(19) . . ? C11 C15 2.481(14) . . ? C11 C21 3.071(12) . . ? C11 C22 3.638(10) . . ? C11 C31 3.150(13) . . ? C11 C36 3.529(13) . . ? C11 H12a 1.989(7) . . ? C11 H12e 1.985(10) . . ? C11 H13a 2.964(13) . . ? C11 H15a 2.970(10) . . ? C11 H16a 1.870(9) . . ? C11 H16e 1.865(7) . . ? C11 H36e 3.086(10) . . ? C12 C14 2.445(15) . . ? C12 C15 2.904(11) . . ? C12 C16 2.474(11) . . ? C12 C21 3.664(11) . . ? C12 C22 3.642(9) . . ? C12 C31 3.452(11) . . ? C12 H11 1.765(5) . . ? C12 H13a 1.993(9) . . ? C12 H13e 1.992(7) . . ? C12 H14a 2.857(6) . . ? C12 H16a 2.944(7) . . ? C12 H22a 2.940(6) . . ? C13 C15 2.470(13) . . ? C13 C16 2.885(16) . . ? C13 H11 2.563(10) . . ? C13 H12a 2.001(13) . . ? C13 H12e 1.998(10) . . ? C13 H14a 1.854(9) . . ? C13 H14e 1.849(10) . . ? C13 H15a 2.940(9) . . ? C14 C16 2.50(2) . . ? C14 H11 2.925(12) . . ? C14 H12a 2.893(15) . . ? C14 H13a 1.897(14) . . ? C14 H13e 1.868(12) . . ? C14 H15a 1.983(11) . . ? C14 H15e 1.955(15) . . ? C14 H16a 2.970(18) . . ? C15 H11 2.570(9) . . ? C15 H13a 2.907(10) . . ? C15 H14a 1.934(9) . . ? C15 H14e 1.928(12) . . ? C15 H16a 2.012(13) . . ? C15 H16e 2.008(11) . . ? C16 H11 1.710(9) . . ? C16 H12a 2.942(8) . . ? C16 H14a 2.934(10) . . ? C16 H15a 2.028(12) . . ? C16 H15e 2.020(9) . . ? C21 C23 2.499(10) . . ? C21 C24 2.819(13) . . ? C21 C25 2.465(8) . . ? C21 C31 3.129(7) . . ? C21 C32 3.524(10) . . ? C21 H11 2.840(9) . . ? C21 H22a 1.961(9) . . ? C21 H22e 1.975(6) . . ? C21 H23a 3.043(7) . . ? C21 H25a 3.024(7) . . ? C21 H25e 3.087(6) . . ? C21 H26a 1.857(6) . . ? C21 H26e 1.872(9) . . ? C21 H32e 3.070(8) . . ? C22 C24 2.472(11) . . ? C22 C25 2.901(8) . . ? C22 C26 2.479(11) . . ? C22 C31 3.445(8) . . ? C22 H12e 2.914(7) . . ? C22 H21 1.762(8) . . ? C22 H23a 1.998(6) . . ? C22 H23e 2.001(7) . . ? C22 H24a 2.981(6) . . ? C22 H26a 3.025(6) . . ? C22 H26e 3.092(7) . . ? C23 C25 2.436(11) . . ? C23 C26 2.862(13) . . ? C23 H21 2.656(8) . . ? C23 H22a 2.021(9) . . ? C23 H22e 2.018(6) . . ? C23 H24a 1.832(6) . . ? C23 H24e 1.828(9) . . ? C23 H25a 2.971(10) . . ? C23 H25e 3.068(7) . . ? C24 C26 2.506(17) . . ? C24 H21 2.983(13) . . ? C24 H22a 3.010(9) . . ? C24 H23a 1.854(13) . . ? C24 H23e 1.846(11) . . ? C24 H25a 1.954(14) . . ? C24 H25e 1.947(14) . . ? C24 H26a 3.054(14) . . ? C24 H36e 3.055(9) . 1_445 ? C25 H21 2.621(7) . . ? C25 H23a 2.965(7) . . ? C25 H23e 3.083(8) . . ? C25 H24a 1.920(9) . . ? C25 H24e 1.919(8) . . ? C25 H26a 1.999(7) . . ? C25 H26e 1.998(8) . . ? C26 H21 1.675(9) . . ? C26 H22a 3.025(9) . . ? C26 H24a 3.017(11) . . ? C26 H25a 2.014(7) . . ? C26 H25e 2.000(9) . . ? C31 C33 2.507(11) . . ? C31 C34 2.937(9) . . ? C31 C35 2.512(7) . . ? C31 H12a 3.039(7) . . ? C31 H21 2.935(4) . . ? C31 H22e 2.993(5) . . ? C31 H32a 2.033(7) . . ? C31 H32e 2.036(5) . . ? C31 H33a 2.713(5) . . ? C31 H35a 2.726(4) . . ? C31 H36a 2.028(5) . . ? C31 H36e 2.030(5) . . ? C32 C34 2.511(8) . . ? C32 C35 2.910(8) . . ? C32 C36 2.483(8) . . ? C32 H21 2.910(6) . . ? C32 H31 2.026(8) . . ? C32 H33a 2.037(6) . . ? C32 H33e 2.041(7) . . ? C32 H34a 2.724(6) . . ? C32 H36a 2.703(6) . . ? C33 C35 2.471(11) . . ? C33 C36 2.904(11) . . ? C33 H31 2.702(10) . . ? C33 H32a 2.041(7) . . ? C33 H32e 2.043(6) . . ? C33 H34a 2.041(7) . . ? C33 H34e 2.042(6) . . ? C33 H35a 2.677(9) . . ? C34 C36 2.490(11) . . ? C34 H32a 2.721(6) . . ? C34 H33a 2.039(6) . . ? C34 H33e 2.040(7) . . ? C34 H35a 2.001(10) . . ? C34 H35e 2.003(8) . . ? C34 H36a 2.709(7) . . ? C35 H31 2.710(6) . . ? C35 H33a 2.681(7) . . ? C35 H34a 2.009(9) . . ? C35 H34e 2.009(9) . . ? C35 H36a 2.040(7) . . ? C35 H36e 2.040(8) . . ? C36 H24e 3.072(6) . 1_665 ? C36 H25a 3.099(6) . 1_665 ? C36 H31 2.019(6) . . ? C36 H32a 2.701(6) . . ? C36 H34a 2.707(7) . . ? C36 H35a 2.037(6) . . ? C36 H35e 2.041(5) . . ? H11 H12e 1.9281(3) . . ? H11 H16e 1.8458(3) . . ? H12a H12e 1.5513(5) . . ? H12a H13e 2.0950(5) . . ? H12e H13a 2.0940(4) . . ? H12e H22a 2.1047(6) . . ? H13a H13e 1.5513(4) . . ? H13a H14e 1.9377(3) . . ? H13e H14a 1.9326(3) . . ? H13e H14e 2.3035(3) . . ? H14a H14e 1.5513(5) . . ? H14a H15e 2.0274(3) . . ? H14e H15a 2.0340(4) . . ? H15a H15e 1.5513(5) . . ? H15a H16e 2.1056(5) . . ? H15e H16a 2.1024(5) . . ? H16a H16e 1.5513(4) . . ? H21 H22e 1.8726(3) . . ? H21 H26e 1.7319(3) . . ? H21 H32e 2.3086(6) . . ? H22a H22e 1.5514(3) . . ? H22a H23e 2.0811(5) . . ? H22e H23a 2.3773(3) . 2_656 ? H22e H23a 2.0796(5) . . ? H23a H23a 2.3478(5) . 2_656 ? H23a H23e 1.5514(3) . . ? H23a H24e 1.8749(4) . . ? H23e H24a 1.8733(3) . . ? H23e H24e 2.3637(8) . . ? H24a H24e 1.5514(3) . . ? H24a H25e 1.9834(3) . . ? H24e H25a 1.9860(3) . . ? H24e H36e 2.3228(7) . 1_445 ? H25a H25e 1.5513(3) . . ? H25a H26e 2.0739(5) . . ? H25e H26a 2.0731(5) . . ? H26a H26e 1.5512(3) . . ? H31 H32e 2.2957(8) . . ? H31 H36e 2.2812(4) . . ? H32a H32e 1.5513(3) . . ? H32a H33e 2.3037(3) . . ? H32e H33a 2.3032(4) . . ? H32e H33e 2.3415(6) . . ? H33a H33e 1.5513(4) . . ? H33a H34e 2.3043(8) . . ? H33e H34a 2.3056(4) . . ? H33e H34e 2.3443(6) . . ? H34a H34e 1.5513(2) . . ? H34a H35e 2.2645(7) . . ? H34e H35a 2.2622(5) . . ? H34e H35e 2.3089(4) . . ? H35a H35e 1.5514(3) . . ? H35a H36e 2.2968(3) . . ? H35e H36a 2.2972(4) . . ? H35e H36e 2.3397(6) . . ? H36a H36e 1.5514(4) . . ? loop_ _geom_angle_atom_site_label_1 #ActaC _geom_angle_atom_site_label_2 #ActaC _geom_angle_atom_site_label_3 #ActaC _geom_angle #ActaC _geom_angle_site_symmetry_1 #ActaC _geom_angle_site_symmetry_2 #ActaC _geom_angle_site_symmetry_3 #ActaC _geom_angle_publ_flag #ActaC O1 Ag O2 107.4(2) . . 2_755 ? O1 Ag As 129.96(11) . . . ? O1 Ag O1 71.77(17) . . 2_755 ? O2 Ag As 115.00(14) 2_755 . . ? O2 Ag O1 47.76(16) 2_755 . 2_755 ? As Ag O1 158.27(14) . . 2_755 ? O1 N O3 121.8(6) . . . ? O1 N O2 116.9(5) . . . ? O3 N O2 121.3(5) . . . ? Ag O1 N 121.3(5) . . . ? Ag O1 Ag 108.23(19) . . 2_755 ? N O1 Ag 110.5(4) . . 2_755 ? Ag O2 N 84.8(3) . 2_755 2_755 ? Ag As C11 114.9(2) . . . ? Ag As C21 110.7(2) . . . ? Ag As C31 113.87(19) . . . ? C11 As C21 103.7(4) . . . ? C11 As C31 107.2(3) . . . ? C21 As C31 105.6(2) . . . ? As C11 C12 118.4(5) . . . ? As C11 C16 117.4(9) . . . ? As C11 H11 101.5(7) . . . ? C12 C11 C16 121.4(9) . . . ? C12 C11 H11 90.9(9) . . . ? C16 C11 H11 94.2(8) . . . ? C11 C12 C13 116.0(7) . . . ? C11 C12 H12a 108.2(8) . . . ? C11 C12 H12e 107.6(5) . . . ? C13 C12 H12a 108.0(6) . . . ? C13 C12 H12e 107.5(8) . . . ? H12a C12 H12e 109.4(7) . . . ? C12 C13 C14 117.5(11) . . . ? C12 C13 H13a 107.5(8) . . . ? C12 C13 H13e 107.0(9) . . . ? C14 C13 H13a 108.9(12) . . . ? C14 C13 H13e 106.0(8) . . . ? H13a C13 H13e 109.8(12) . . . ? C13 C14 C15 122.4(11) . . . ? C13 C14 H14a 107.2(11) . . . ? C13 C14 H14e 103.8(14) . . . ? C15 C14 H14a 107.6(14) . . . ? C15 C14 H14e 104.2(10) . . . ? H14a C14 H14e 111.7(14) . . . ? C14 C15 C16 114.8(9) . . . ? C14 C15 H15a 109.9(13) . . . ? C14 C15 H15e 106.8(8) . . . ? C16 C15 H15a 108.6(8) . . . ? C16 C15 H15e 107.2(11) . . . ? H15a C15 H15e 109.4(9) . . . ? C11 C16 C15 119.0(10) . . . ? C11 C16 H16a 107.5(10) . . . ? C11 C16 H16e 106.1(7) . . . ? C15 C16 H16a 107.6(8) . . . ? C15 C16 H16e 106.3(9) . . . ? H16a C16 H16e 110.2(11) . . . ? As C21 C22 118.8(5) . . . ? As C21 C26 117.1(6) . . . ? As C21 H21 93.0(5) . . . ? C22 C21 C26 123.9(6) . . . ? C22 C21 H21 91.2(6) . . . ? C26 C21 H21 90.6(8) . . . ? C21 C22 C23 115.1(5) . . . ? C21 C22 H22a 107.3(6) . . . ? C21 C22 H22e 108.9(7) . . . ? C23 C22 H22a 108.1(8) . . . ? C23 C22 H22e 108.2(6) . . . ? H22a C22 H22e 109.1(5) . . . ? C22 C23 C24 120.8(8) . . . ? C22 C23 H23a 106.5(6) . . . ? C22 C23 H23e 106.4(9) . . . ? C24 C23 H23a 107.5(11) . . . ? C24 C23 H23e 106.3(9) . . . ? H23a C23 H23e 109.0(8) . . . ? C23 C24 C25 123.0(10) . . . ? C23 C24 H24a 106.4(12) . . . ? C23 C24 H24e 105.4(12) . . . ? C25 C24 H24a 105.9(12) . . . ? C25 C24 H24e 105.2(11) . . . ? H24a C24 H24e 110.9(12) . . . ? C24 C25 C26 116.9(6) . . . ? C24 C25 H25a 108.0(8) . . . ? C24 C25 H25e 107.2(10) . . . ? C26 C25 H25a 108.4(8) . . . ? C26 C25 H25e 107.0(7) . . . ? H25a C25 H25e 109.2(6) . . . ? C21 C26 C25 119.1(8) . . . ? C21 C26 H26a 106.9(7) . . . ? C21 C26 H26e 106.4(9) . . . ? C25 C26 H26a 108.1(9) . . . ? C25 C26 H26e 106.3(7) . . . ? H26a C26 H26e 109.8(10) . . . ? As C31 C32 110.2(3) . . . ? As C31 C36 110.6(4) . . . ? As C31 H31 108.9(4) . . . ? C32 C31 C36 110.6(5) . . . ? C32 C31 H31 108.3(5) . . . ? C36 C31 H31 108.0(4) . . . ? C31 C32 C33 111.5(5) . . . ? C31 C32 H32a 108.9(6) . . . ? C31 C32 H32e 109.4(6) . . . ? C33 C32 H32a 108.9(7) . . . ? C33 C32 H32e 109.2(6) . . . ? H32a C32 H32e 108.9(6) . . . ? C32 C33 C34 111.3(6) . . . ? C32 C33 H33a 108.7(8) . . . ? C32 C33 H33e 109.2(6) . . . ? C34 C33 H33a 109.0(6) . . . ? C34 C33 H33e 109.3(8) . . . ? H33a C33 H33e 109.4(7) . . . ? C33 C34 C35 110.8(7) . . . ? C33 C34 H34a 109.2(7) . . . ? C33 C34 H34e 109.2(6) . . . ? C35 C34 H34a 109.3(7) . . . ? C35 C34 H34e 109.2(7) . . . ? H34a C34 H34e 109.0(8) . . . ? C34 C35 C36 111.9(5) . . . ? C34 C35 H35a 108.8(7) . . . ? C34 C35 H35e 108.8(7) . . . ? C36 C35 H35a 108.8(7) . . . ? C36 C35 H35e 109.0(7) . . . ? H35a C35 H35e 109.4(6) . . . ? C31 C36 C35 112.0(5) . . . ? C31 C36 H36a 108.8(4) . . . ? C31 C36 H36e 109.2(6) . . . ? C35 C36 H36a 108.8(6) . . . ? C35 C36 H36e 108.9(5) . . . ? H36a C36 H36e 109.1(6) . . . ? loop_ _geom_torsion_atom_site_label_1 #ActaC _geom_torsion_atom_site_label_2 #ActaC _geom_torsion_atom_site_label_3 #ActaC _geom_torsion_atom_site_label_4 #ActaC _geom_torsion #ActaC _geom_torsion_site_symmetry_1 #ActaC _geom_torsion_site_symmetry_2 #ActaC _geom_torsion_site_symmetry_3 #ActaC _geom_torsion_site_symmetry_4 #ActaC _geom_torsion_publ_flag #ActaC ? ? ? ? ? ? ? ? ? ? _reflns_limit_h_min 0 _reflns_limit_h_max 10 _reflns_limit_k_min -11 _reflns_limit_k_max 10 _reflns_limit_l_min -15 _reflns_limit_l_max 15 _reflns_number_total 3669 #ActaC _reflns_number_observed 2809 #ActaC _reflns_observed_criterion refl_observed_if_F____>_.000_sigma(F___) _reflns_d_resolution_high .841 _reflns_d_resolution_low 13.177 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? .849729 #=END data_brascy _audit_creation_date 97-11-27 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common 'AgBr:As(C6H11)3 (1:1)' #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum ? #ActaC _chemical_formula_weight ? #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #ActaC _computing_data_reduction xtal_ABSORB_SORTRF #ActaC _computing_structure_solution xtal #ActaC _computing_structure_refinement xtal_CRYLSQ #ActaC _computing_molecular_graphics xtal #ActaC _computing_publication_material xtal_BONDLA_CIFIO #ActaC _cell_length_a 22.482(5) #ActaC _cell_length_b 22.482(5) #ActaC _cell_length_c 28.35(2) #ActaC _cell_angle_alpha 90.00000 #ActaC _cell_angle_beta 90.00000 #ActaC _cell_angle_gamma 120.0000 #ActaC _cell_volume 12409(10) #ActaC _cell_formula_units_Z 18 #ActaC _cell_measurement_temperature 293 #ActaC _cell_measurement_reflns_used ? #ActaC _cell_measurement_theta_min ? #ActaC _cell_measurement_theta_max ? #ActaC _cell_special_details #ActaC ; ? ; _symmetry_cell_setting trigonal #ActaC _symmetry_space_group_name_H-M ? #ActaC _symmetry_space_group_name_Hall -R_3 #ActaC loop_ _symmetry_equiv_pos_as_xyz #ActaC +x,+y,+z -y,+x-y,+z -x+y,-x,+z -x,-y,-z +y,-x+y,-z +x-y,+x,-z 2/3+x,1/3+y,1/3+z 1/3+x,2/3+y,2/3+z 2/3-y,1/3+x-y,1/3+z 1/3-y,2/3+x-y,2/3+z 2/3-x+y,1/3-x,1/3+z 1/3-x+y,2/3-x,2/3+z 2/3-x,1/3-y,1/3-z 1/3-x,2/3-y,2/3-z 2/3+y,1/3-x+y,1/3-z 1/3+y,2/3-x+y,2/3-z 2/3+x-y,1/3+x,1/3-z 1/3+x-y,2/3+x,2/3-z _exptl_crystal_description ? #ActaC _exptl_crystal_preparation ? _exptl_crystal_colour ? #ActaC _exptl_crystal_size_max ? #ActaC _exptl_crystal_size_mid ? #ActaC _exptl_crystal_size_min ? #ActaC _exptl_crystal_density_diffrn 1.645 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 6144 #ActaC _exptl_absorpt_process_details ? _exptl_absorpt_coefficient_mu ? #ActaC _exptl_absorpt_correction_type ? #ActaC _exptl_absorpt_correction_T_min ? #ActaC _exptl_absorpt_correction_T_max ? #ActaC _exptl_special_details #ActaC ; ? ; _diffrn_special_details ; ? ; _diffrn_ambient_temperature 293 #ActaC _diffrn_radiation_wavelength ? #ActaC _diffrn_radiation_type xray_tube #ActaC _diffrn_radiation_source ? #ActaC _diffrn_radiation_monochromator ? #ActaC _diffrn_radiation_detector ? #ActaC _diffrn_measurement_device CAD4 #ActaC _diffrn_measurement_method ? #ActaC _diffrn_standards_number ? #ActaC _diffrn_standards_interval_count ? #ActaC _diffrn_standards_interval_time ? #ActaC _diffrn_standards_decay_% ? #ActaC loop_ _diffrn_standard_refln_index_h #ActaC _diffrn_standard_refln_index_k #ActaC _diffrn_standard_refln_index_l #ActaC ? ? ? loop_ _diffrn_attenuator_code _diffrn_attenuator_scale ? ? _diffrn_reflns_number 5252 #ActaC _diffrn_reflns_av_R_equivalents .101 #ActaC _diffrn_reflns_av_sigmaI/netI .103 #ActaC _diffrn_reflns_limit_h_min 0 #ActaC _diffrn_reflns_limit_h_max 23 #ActaC _diffrn_reflns_limit_k_min 0 #ActaC _diffrn_reflns_limit_k_max 23 #ActaC _diffrn_reflns_limit_l_min -33 #ActaC _diffrn_reflns_limit_l_max 33 #ActaC _diffrn_reflns_theta_min 1.78 #ActaC _diffrn_reflns_theta_max 24.99 #ActaC _diffrn_reflns_reduction_process perpendicular_monochr_Lp #ActaC loop_ _atom_type_symbol #ActaC _atom_type_description #ActaC _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real #ActaC _atom_type_scat_dispersion_imag #ActaC _atom_type_scat_source #ActaC C ? 0 432 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 792 0 0 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Ag ? 0 24 -1.085 1.101 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 As ? 0 24 -.03 2.007 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Br ? 0 24 -.374 2.456 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 loop_ _atom_site_label #ActaC _atom_site_fract_x #ActaC _atom_site_fract_y #ActaC _atom_site_fract_z #ActaC _atom_site_U_iso_or_equiv #ActaC _atom_site_thermal_displace_type #ActaC _atom_site_calc_flag #ActaC _atom_site_calc_attached_atom #ActaC Ag1 .66666 .33334 .54982(11) .0827(18) Uani ? ? Ag2 .68371(9) .43190(9) .64758(7) .0865(13) Uani ? ? Br1 .66666 .33334 .71205(15) .081(2) Uani ? ? Br2 .55807(11) .33690(11) .58958(8) .0693(14) Uani ? ? As1 .66666 .33334 .46175(14) .059(2) Uani ? ? C11 .7253(16) .3006(15) .4323(10) .12(2) Uani ? ? C12A .749(3) .270(3) .467(2) .13(2) Uiso ? ? C13A .809(3) .251(3) .4472(18) .072(15) Uiso ? ? C14A .759(5) .211(5) .397(3) .20(3) Uiso ? ? C15A .774(3) .263(4) .368(2) .16(3) Uiso ? ? C16A .726(3) .291(3) .385(2) .13(2) Uiso ? ? C12B .799(3) .336(3) .454(2) .12(2) Uiso ? ? C13B .840(3) .317(3) .417(2) .13(2) Uiso ? ? C14B .821(4) .256(4) .416(3) .17(3) Uiso ? ? C15B .753(4) .205(4) .440(3) .16(3) Uiso ? ? C16B .696(3) .231(3) .443(2) .103(18) Uiso ? ? As2 .63925(11) .50875(11) .67270(8) .0570(13) Uani ? ? C211 .7025(10) .6011(9) .6995(7) .058(12) Uani ? ? C212 .7609(12) .5978(11) .7231(9) .083(15) Uani ? ? C213 .8121(12) .6677(14) .7429(9) .10(2) Uani ? ? C214 .7818(14) .6990(12) .7727(9) .095(18) Uani ? ? C215 .7264(14) .7043(11) .7458(9) .094(17) Uani ? ? C216 .6729(11) .6355(11) .7292(7) .067(14) Uani ? ? C221 .5641(10) .4656(11) .7179(8) .068(15) Uani ? ? C222 .5043(12) .4003(11) .6995(8) .081(15) Uani ? ? C223 .4476(11) .3650(11) .7363(9) .083(16) Uani ? ? C224 .4725(13) .3499(12) .7803(9) .097(18) Uani ? ? C225 .5356(13) .4149(12) .7997(7) .082(16) Uani ? ? C226 .5898(10) .4495(10) .7624(9) .080(15) Uani ? ? C231 .5961(11) .5260(13) .6187(8) .092(17) Uani ? ? C232 .6451(11) .5583(13) .5778(9) .096(17) Uani ? ? C233 .611(2) .567(2) .5337(10) .20(3) Uani ? ? C234 .566(2) .593(2) .5414(13) .17(3) Uani ? ? C235 .5157(14) .5576(14) .5816(11) .12(2) Uani ? ? C236 .5562(13) .5555(15) .6262(9) .12(2) Uani ? ? H11A .75551 .34836 .42809 .09150 Uiso ? ? H12Aa .71066 .22933 .47824 .15840 Uiso ? ? H12Ae .76848 .30192 .49298 .15840 Uiso ? ? H13Aa .85369 .29029 .44113 .09530 Uiso ? ? H13Ae .81599 .22035 .46725 .09530 Uiso ? ? H14Aa .71108 .18837 .40351 .25340 Uiso ? ? H14Ae .77040 .18119 .38158 .25340 Uiso ? ? H15Aa .82102 .30025 .37258 .21130 Uiso ? ? H15Ae .76676 .25212 .33614 .21130 Uiso ? ? H16Aa .67895 .25526 .37746 .15830 Uiso ? ? H16Ae .73563 .33114 .36986 .15830 Uiso ? ? H11B .72793 .31149 .39996 .09150 Uiso ? ? H12Ba .79849 .31803 .48398 .15770 Uiso ? ? H12Be .81778 .38418 .45551 .15770 Uiso ? ? H13Ba .83493 .32937 .38566 .15820 Uiso ? ? H13Be .88803 .34055 .42459 .15820 Uiso ? ? H14Ba .81602 .24151 .38485 .21390 Uiso ? ? H14Be .85538 .25004 .43160 .21390 Uiso ? ? H15Ba .76676 .20086 .47137 .19500 Uiso ? ? H15Be .73712 .16506 .42338 .19500 Uiso ? ? H16Ba .67676 .22120 .47405 .12640 Uiso ? ? H16Be .66029 .20377 .42101 .12640 Uiso ? ? H211 .71848 .63236 .67338 .06620 Uiso ? ? H212a .74344 .56511 .74827 .09390 Uiso ? ? H212e .78358 .58382 .70102 .09390 Uiso ? ? H213a .83426 .69802 .71705 .11630 Uiso ? ? H213e .84527 .66364 .76106 .11630 Uiso ? ? H214a .76215 .67144 .80004 .10760 Uiso ? ? H214e .81652 .74376 .78219 .10760 Uiso ? ? H215a .74657 .73360 .71924 .10210 Uiso ? ? H215e .70611 .72322 .76573 .10210 Uiso ? ? H216a .65062 .60714 .75588 .09230 Uiso ? ? H216e .63967 .64011 .71106 .09230 Uiso ? ? H221 .54808 .49712 .72378 .09150 Uiso ? ? H222a .52020 .36951 .69079 .08890 Uiso ? ? H222e .48600 .41021 .67230 .08890 Uiso ? ? H223a .42960 .39451 .74350 .09140 Uiso ? ? H223e .41166 .32318 .72358 .09140 Uiso ? ? H224a .48532 .31626 .77384 .11450 Uiso ? ? H224e .43698 .33265 .80312 .11450 Uiso ? ? H225a .52139 .44613 .81048 .09640 Uiso ? ? H225e .55414 .40256 .82561 .09640 Uiso ? ? H226a .60739 .42002 .75444 .09460 Uiso ? ? H226e .62615 .49131 .77488 .09460 Uiso ? ? H231 .56223 .48022 .61060 .12580 Uiso ? ? H232a .68175 .60232 .58753 .12130 Uiso ? ? H232e .66409 .53015 .56954 .12130 Uiso ? ? H233a .58711 .52489 .51922 .27050 Uiso ? ? H233e .64656 .60018 .51458 .27050 Uiso ? ? H234a .59002 .63951 .54763 .22000 Uiso ? ? H234e .53847 .58327 .51362 .22000 Uiso ? ? H235a .48215 .51202 .57340 .15020 Uiso ? ? H235e .49346 .58287 .58955 .15020 Uiso ? ? H236a .58604 .60130 .63615 .16640 Uiso ? ? H236e .52459 .53039 .65022 .16640 Uiso ? ? loop_ _atom_site_aniso_label #ActaC _atom_site_aniso_U_11 #ActaC _atom_site_aniso_U_22 #ActaC _atom_site_aniso_U_33 #ActaC _atom_site_aniso_U_12 #ActaC _atom_site_aniso_U_13 #ActaC _atom_site_aniso_U_23 #ActaC Ag1 .0958(16) .0958(16) .056(2) .0479(8) .00000 .00000 Ag2 .0900(15) .0886(15) .0914(16) .0526(13) .0037(12) -.0149(12) Br1 .0847(19) .0847(19) .075(3) .0424(9) .00000 .00000 Br2 .0694(16) .0764(17) .0686(18) .0414(14) -.0060(14) -.0057(15) As1 .0596(16) .0596(16) .057(3) .0298(8) .00000 .00000 C11 .19(3) .13(3) .10(2) .14(3) .01(2) .03(2) As2 .0594(15) .0610(15) .0512(15) .0305(13) .0022(13) -.0016(13) C211 .062(15) .058(14) .042(15) .021(13) .019(12) .029(12) C212 .065(17) .063(16) .10(2) .015(14) .011(16) -.018(15) C213 .10(2) .10(2) .08(2) .03(2) -.003(18) .007(18) C214 .11(2) .071(18) .08(2) .024(17) -.052(19) -.011(16) C215 .12(2) .040(15) .09(2) .010(15) .009(17) -.006(14) C216 .096(18) .082(17) .048(16) .063(16) .000(13) -.013(13) C221 .069(16) .082(18) .071(18) .051(15) -.018(14) .014(15) C222 .083(18) .069(17) .068(18) .021(15) -.023(15) -.025(14) C223 .064(16) .092(19) .063(19) .015(14) .005(15) .014(16) C224 .12(2) .09(2) .08(2) .043(18) .002(18) .003(17) C225 .10(2) .10(2) .034(16) .043(17) .001(15) .011(14) C226 .074(17) .056(15) .09(2) .020(13) .048(16) .005(15) C231 .061(16) .14(2) .09(2) .064(17) .030(15) .033(18) C232 .079(18) .16(2) .055(17) .062(18) -.001(16) .010(17) C233 .19(4) .41(6) .05(2) .18(4) -.00(2) .08(3) C234 .17(4) .20(4) .15(4) .10(3) -.01(3) .08(3) C235 .11(2) .14(3) .11(3) .07(2) -.02(2) .02(2) C236 .11(2) .21(3) .08(2) .11(2) -.016(19) .05(2) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details sfls:_F____sigma_weight______full_matrix _refine_ls_structure_factor_coef F #ActaC _refine_ls_matrix_type full #ActaC _refine_ls_weighting_scheme sigma #ActaC _refine_ls_hydrogen_treatment ? #ActaC _refine_ls_extinction_method none #ActaC _refine_ls_extinction_coef .00000 #ActaC _refine_ls_extinction_expression ? _refine_ls_abs_structure_details none #ActaC _refine_ls_abs_structure_Flack 0 #ActaC _refine_ls_number_reflns 1471 #ActaC _refine_ls_number_parameters 248 #ActaC _refine_ls_number_restraints 1 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .178 #ActaC _refine_ls_R_factor_obs .057 #ActaC _refine_ls_wR_factor_all .071 #ActaC _refine_ls_wR_factor_obs .049 #ActaC _refine_ls_goodness_of_fit_all 1.214 #ActaC _refine_ls_goodness_of_fit_obs 1.614 #ActaC _refine_ls_shift/esd_max .022 #ActaC _refine_ls_shift/esd_mean .002 #ActaC _refine_diff_density_min -.619 #ActaC _refine_diff_density_max .659 #ActaC _geom_special_details ? #ActaC loop_ _geom_bond_atom_site_label_1 #ActaC _geom_bond_atom_site_label_2 #ActaC _geom_bond_distance #ActaC _geom_bond_site_symmetry_1 #ActaC _geom_bond_site_symmetry_2 #ActaC _geom_bond_publ_flag #ActaC Ag1 Br2 2.726(3) . . ? Ag1 As1 2.497(5) . . ? Ag1 Br2 2.727(5) . 2_655 ? Ag1 Br2 2.726(3) . 3_665 ? Ag2 Br1 2.747(4) . . ? Ag2 Br2 3.035(3) . . ? Ag2 As2 2.494(4) . . ? Ag2 Br2 2.616(5) . 3_665 ? As1 C11 1.99(4) . . ? As1 C11 1.99(6) . 2_655 ? As1 C11 1.99(5) . 3_665 ? C11 C12A 1.45(9) . . ? C11 C16A 1.36(7) . . ? C11 C12B 1.56(7) . . ? C11 C16B 1.40(6) . . ? C11 H11A .95(3) . . ? C11 H11B .94(3) . . ? C12A C13A 1.71(11) . . ? C12A C12B 1.39(7) . . ? C12A C15B 1.69(12) . . ? C12A C16B 1.29(7) . . ? C12A H12Aa .94(5) . . ? C12A H12Ae .95(6) . . ? C12A H12Ba 1.19(5) . . ? C12A H16Ba 1.45(6) . . ? C13A C14A 1.77(10) . . ? C13A C13B 1.55(8) . . ? C13A C14B .93(11) . . ? C13A C15B 1.18(8) . . ? C13A H13Aa .97(4) . . ? C13A H13Ae .96(6) . . ? C13A H14Be 1.14(7) . . ? C13A H15Ba 1.25(5) . . ? C14A C15A 1.31(12) . . ? C14A C14B 1.37(11) . . ? C14A C15B 1.25(12) . . ? C14A H14Aa .95(9) . . ? C14A H14Ae .94(12) . . ? C14A H14Ba 1.17(9) . . ? C14A H15Be 1.18(9) . . ? C15A C16A 1.59(12) . . ? C15A C13B 1.95(8) . . ? C15A C14B 1.77(13) . . ? C15A H15Aa .98(5) . . ? C15A H15Ae .93(6) . . ? C15A H14Ba 1.34(9) . . ? C16A H16Aa .97(5) . . ? C16A H16Ae .91(6) . . ? C16A H11B .61(7) . . ? C12B C13B 1.59(10) . . ? C12B H11A 1.35(7) . . ? C12B H12Ae 1.33(6) . . ? C12B H12Ba .95(6) . . ? C12B H12Be .95(6) . . ? C13B C14B 1.21(12) . . ? C13B H13Aa 1.06(7) . . ? C13B H15Aa 1.31(6) . . ? C13B H13Ba .95(6) . . ? C13B H13Be .96(5) . . ? C14B C15B 1.55(10) . . ? C14B H13Aa 1.04(8) . . ? C14B H14Ba .92(10) . . ? C14B H14Be .96(11) . . ? C15B C16B 1.65(13) . . ? C15B H13Ae 1.49(9) . . ? C15B H14Aa 1.33(8) . . ? C15B H15Ba .95(9) . . ? C15B H15Be .93(8) . . ? C16B H12Aa 1.07(6) . . ? C16B H16Ba .96(5) . . ? C16B H16Be .95(5) . . ? As2 C211 1.990(17) . . ? As2 C221 1.95(2) . . ? As2 C231 1.95(3) . . ? C211 C212 1.51(4) . . ? C211 C216 1.50(4) . . ? C211 H211 .958(18) . . ? C212 C213 1.52(3) . . ? C212 H212a .96(2) . . ? C212 H212e .96(3) . . ? C213 C214 1.47(5) . . ? C213 H213a .95(3) . . ? C213 H213e .95(3) . . ? C214 C215 1.51(5) . . ? C214 H214a .95(2) . . ? C214 H214e .95(2) . . ? C215 C216 1.48(3) . . ? C215 H215a .95(2) . . ? C215 H215e .95(3) . . ? C216 H216a .96(2) . . ? C216 H216e .95(3) . . ? C221 C222 1.50(3) . . ? C221 C226 1.51(4) . . ? C221 H221 .96(3) . . ? C222 C223 1.53(3) . . ? C222 H222a .96(3) . . ? C222 H222e .95(3) . . ? C223 C224 1.48(4) . . ? C223 H223a .96(3) . . ? C223 H223e .95(2) . . ? C224 C225 1.54(3) . . ? C224 H224a .95(3) . . ? C224 H224e .95(3) . . ? C225 C226 1.50(3) . . ? C225 H225a .96(3) . . ? C225 H225e .95(3) . . ? C226 H226a .95(3) . . ? C226 H226e .954(18) . . ? C231 C232 1.51(3) . . ? C231 C236 1.37(5) . . ? C231 H231 .95(2) . . ? C232 C233 1.53(5) . . ? C232 H232a .96(2) . . ? C232 H232e .95(3) . . ? C233 C234 1.42(8) . . ? C233 H233a .93(4) . . ? C233 H233e .94(3) . . ? C234 C235 1.52(5) . . ? C234 H234a .93(4) . . ? C234 H234e .95(4) . . ? C235 C236 1.57(4) . . ? C235 H235a .95(2) . . ? C235 H235e .95(4) . . ? C236 H236a .95(3) . . ? C236 H236e .94(2) . . ? H12Aa H16Ba .69942(16) . . ? H12Ae H12Ba .63816(14) . . ? H13Aa H14Be .9632(2) . . ? H13Ae H15Ba .9723(2) . . ? H15Aa H13Ba .67759(18) . . ? H16Ae H11B .9365(6) . . ? loop_ _geom_contact_atom_site_label_1 #ActaC _geom_contact_atom_site_label_2 #ActaC _geom_contact_distance #ActaC _geom_contact_site_symmetry_1 #ActaC _geom_contact_site_symmetry_2 #ActaC _geom_contact_publ_flag #ActaC Ag1 Ag2 3.448(4) . 3_665 ? Ag1 Ag2 3.448(4) . . ? Ag1 Ag2 3.448(4) . 2_655 ? Ag1 Br1 4.599(6) . . ? Ag1 C11 3.79(3) . . ? Ag1 C11 3.79(4) . 2_655 ? Ag1 C11 3.79(4) . 3_665 ? Ag1 C12A 3.68(11) . 2_655 ? Ag1 C12A 3.68(8) . . ? Ag1 C12A 3.68(10) . 3_665 ? Ag1 C12B 4.02(7) . . ? Ag1 C12B 4.02(11) . 2_655 ? Ag1 C12B 4.02(7) . 3_665 ? Ag1 C16B 4.06(7) . 2_655 ? Ag1 C16B 4.06(6) . . ? Ag1 C16B 4.06(9) . 3_665 ? Ag1 H11A 3.916(4) . 2_655 ? Ag1 H11A 3.917(4) . . ? Ag1 H11A 3.916(4) . 3_665 ? Ag1 H12Aa 3.588(2) . 3_665 ? Ag1 H12Aa 3.589(2) . . ? Ag1 H12Aa 3.588(2) . 2_655 ? Ag1 H12Ae 3.1549(18) . . ? Ag1 H12Ae 3.1543(18) . 2_655 ? Ag1 H12Ae 3.1545(18) . 3_665 ? Ag1 H12Ba 3.6614(18) . 3_665 ? Ag1 H12Ba 3.6617(19) . . ? Ag1 H12Ba 3.6611(19) . 2_655 ? Ag1 H12Be 4.014(3) . 2_655 ? Ag1 H12Be 4.014(3) . 3_665 ? Ag1 H12Be 4.014(3) . . ? Ag1 H16Ba 3.405(2) . 3_665 ? Ag1 H16Ba 3.405(2) . 2_655 ? Ag1 H16Ba 3.405(2) . . ? Ag2 Ag2 3.553(4) . 2_655 ? Ag2 Ag2 3.553(5) . 3_665 ? Ag2 Br2 4.813(5) . 2_655 ? Ag2 As2 5.215(6) . 3_665 ? Ag2 C211 3.90(2) . . ? Ag2 C212 3.88(2) . . ? Ag2 C221 3.72(3) . . ? Ag2 C222 4.49(5) . 3_665 ? Ag2 C222 4.01(3) . . ? Ag2 C226 4.01(3) . . ? Ag2 C231 3.63(3) . . ? Ag2 C232 3.90(3) . . ? Ag2 H212a 3.860(2) . . ? Ag2 H212e 3.3664(18) . . ? Ag2 H213a 4.1939(17) . 13_666 ? Ag2 H222a 3.537(2) . 3_665 ? Ag2 H222a 3.439(2) . . ? Ag2 H226a 3.426(3) . . ? Ag2 H231 3.564(3) . . ? Ag2 H232e 3.308(2) . . ? Br1 Br2 4.268(5) . . ? Br1 Br2 4.268(5) . 3_665 ? Br1 Br2 4.268(5) . 2_655 ? Br1 As2 4.428(3) . . ? Br1 As2 4.428(5) . 3_665 ? Br1 As2 4.428(3) . 2_655 ? Br1 C226 4.04(3) . . ? Br1 C226 4.04(4) . 2_655 ? Br1 C226 4.04(4) . 3_665 ? Br1 H226a 3.1011(18) . 3_665 ? Br1 H226a 3.1005(18) . . ? Br1 H226a 3.1010(18) . 2_655 ? Br2 Br2 4.300(5) . 3_665 ? Br2 Br2 4.300(6) . 2_655 ? Br2 As1 4.392(5) . . ? Br2 C12A 3.85(6) . 3_665 ? Br2 C16B 4.21(6) . 3_665 ? Br2 As2 4.094(3) . . ? Br2 As2 4.730(5) . 2_655 ? Br2 C214 3.84(2) . 15_456 ? Br2 C215 3.95(3) . 15_456 ? Br2 C222 3.86(3) . . ? Br2 C231 3.98(3) . . ? Br2 C232 4.36(3) . . ? Br2 H12Aa 3.308(3) . 3_665 ? Br2 H12Ae 3.480(3) . 3_665 ? Br2 H16Ba 3.290(3) . 3_665 ? Br2 H214e 3.075(2) . 15_456 ? Br2 H215a 3.448(3) . 15_456 ? Br2 H222a 3.181(3) . . ? Br2 H222e 3.676(3) . . ? Br2 H231 3.232(3) . . ? As1 C12A 2.84(9) . . ? As1 C12A 2.84(12) . 3_665 ? As1 C12A 2.84(14) . 2_655 ? As1 C15A 4.38(12) . 2_655 ? As1 C15A 4.38(10) . 3_665 ? As1 C15A 4.38(8) . . ? As1 C16A 2.94(7) . . ? As1 C16A 2.94(8) . 3_665 ? As1 C16A 2.94(9) . 2_655 ? As1 C12B 2.96(7) . 3_665 ? As1 C12B 2.96(8) . . ? As1 C12B 2.96(13) . 2_655 ? As1 C13B 4.30(7) . . ? As1 C13B 4.29(8) . 3_665 ? As1 C13B 4.29(13) . 2_655 ? As1 C15B 4.24(16) . 3_665 ? As1 C15B 4.24(14) . 2_655 ? As1 C15B 4.24(10) . . ? As1 C16B 2.75(8) . 2_655 ? As1 C16B 2.75(12) . 3_665 ? As1 C16B 2.75(7) . . ? As1 H11A 2.0832(18) . 3_665 ? As1 H11A 2.0834(19) . . ? As1 H11A 2.0828(18) . 2_655 ? As1 H12Aa 2.9965(8) . . ? As1 H12Aa 2.9958(9) . 3_665 ? As1 H12Aa 2.9960(8) . 2_655 ? As1 H12Ae 2.8531(13) . . ? As1 H12Ae 2.8525(14) . 2_655 ? As1 H12Ae 2.8527(13) . 3_665 ? As1 H16Aa 3.058(3) . 3_665 ? As1 H16Aa 3.058(3) . 2_655 ? As1 H16Aa 3.059(3) . . ? As1 H16Ae 3.044(4) . 2_655 ? As1 H16Ae 3.045(4) . 3_665 ? As1 H16Ae 3.045(4) . . ? As1 H11B 2.425(3) . 3_665 ? As1 H11B 2.426(3) . . ? As1 H11B 2.425(3) . 2_655 ? As1 H12Ba 3.2119(11) . 2_655 ? As1 H12Ba 3.2122(9) . 3_665 ? As1 H12Ba 3.2126(10) . . ? As1 H12Be 2.9990(6) . 2_655 ? As1 H12Be 2.9995(6) . 3_665 ? As1 H12Be 2.9996(7) . . ? As1 H16Ba 2.6646(7) . 2_655 ? As1 H16Ba 2.6643(8) . 3_665 ? As1 H16Ba 2.6650(8) . . ? As1 H16Be 3.0691(16) . 3_665 ? As1 H16Be 3.0697(16) . . ? As1 H16Be 3.0694(16) . 2_655 ? C11 C11 3.12(8) . 3_665 ? C11 C11 3.12(8) . 2_655 ? C11 C13A 2.66(8) . . ? C11 C14A 2.67(13) . . ? C11 C15A 2.48(9) . . ? C11 C16A 3.59(13) . 3_665 ? C11 C16A 3.48(13) . 2_655 ? C11 C12B 3.72(11) . 3_665 ? C11 C13B 2.46(8) . . ? C11 C14B 2.84(12) . . ? C11 C15B 2.52(11) . . ? C11 C16B 3.33(12) . 2_655 ? C11 H11A 2.59(3) . 3_665 ? C11 H12Aa 1.96(3) . . ? C11 H12Ae 1.97(3) . . ? C11 H13Aa 3.02(4) . . ? C11 H14Aa 2.51(4) . . ? C11 H15Aa 2.74(4) . . ? C11 H16Aa 1.86(3) . . ? C11 H16Aa 3.01(3) . 2_655 ? C11 H16Ae 1.87(3) . . ? C11 H11B 3.06(4) . 3_665 ? C11 H12Ba 2.09(3) . . ? C11 H12Be 2.09(3) . . ? C11 H13Ba 2.58(3) . . ? C11 H15Ba 3.03(4) . . ? C11 H16Ba 1.96(3) . . ? C11 H16Be 1.95(3) . . ? C11 H16Be 3.06(3) . 2_655 ? C12A C14A 2.48(12) . . ? C12A C15A 2.89(9) . . ? C12A C16A 2.50(9) . . ? C12A C13B 2.29(8) . . ? C12A C14B 2.33(13) . . ? C12A H11A 2.02(8) . . ? C12A H13Aa 2.29(8) . . ? C12A H13Ae 2.28(9) . . ? C12A H14Aa 2.42(6) . . ? C12A H15Aa 3.04(6) . . ? C12A H16Aa 2.93(6) . . ? C12A H11B 2.28(7) . . ? C12A H12Be 2.26(6) . . ? C12A H13Ba 2.88(6) . . ? C12A H13Be 2.97(6) . . ? C12A H14Ba 3.02(7) . . ? C12A H14Be 2.84(8) . . ? C12A H15Ba 1.80(9) . . ? C12A H15Be 2.57(8) . . ? C12A H16Be 2.23(6) . . ? C13A C15A 2.44(9) . . ? C13A C16A 3.03(10) . . ? C13A C12B 2.04(10) . . ? C13A C16B 2.36(9) . . ? C13A H11A 3.03(7) . . ? C13A H12Aa 2.20(6) . . ? C13A H12Ae 2.21(7) . . ? C13A H14Aa 2.29(5) . . ? C13A H14Ae 2.30(5) . . ? C13A H15Aa 2.34(5) . . ? C13A H11B 3.08(7) . . ? C13A H12Ba 1.95(6) . . ? C13A H12Be 2.92(6) . . ? C13A H13Ba 2.34(5) . . ? C13A H13Be 2.01(4) . . ? C13A H14Ba 1.80(5) . . ? C13A H15Be 1.91(4) . . ? C13A H16Ba 2.81(6) . . ? C13A H16Be 3.05(6) . . ? C14A C16A 2.29(15) . . ? C14A C12B 2.96(11) . . ? C14A C13B 2.23(9) . . ? C14A C16B 2.13(13) . . ? C14A H12Aa 2.67(10) . . ? C14A H13Aa 2.35(8) . . ? C14A H13Ae 2.33(9) . . ? C14A H15Aa 1.91(8) . . ? C14A H15Ae 1.91(9) . . ? C14A H16Aa 2.50(12) . . ? C14A H16Ae 3.08(12) . . ? C14A H11B 2.67(12) . . ? C14A H13Ba 2.35(8) . . ? C14A H13Be 3.01(7) . . ? C14A H14Be 2.14(9) . . ? C14A H15Ba 2.15(9) . . ? C14A H16Ba 2.94(10) . . ? C14A H16Be 2.24(11) . . ? C15A C12B 2.83(9) . . ? C15A C15B 2.34(11) . . ? C15A C16B 2.61(9) . . ? C15A H11A 2.75(8) . . ? C15A H13Aa 2.61(7) . . ? C15A H14Aa 1.85(6) . . ? C15A H14Ae 1.83(9) . . ? C15A H16Aa 2.07(8) . . ? C15A H16Aa 3.05(8) . 18_545 ? C15A H16Ae 2.11(9) . . ? C15A H11B 2.05(9) . . ? C15A H13Ba 1.53(6) . . ? C15A H13Be 2.78(6) . . ? C15A H14Be 2.69(8) . . ? C15A H15Be 2.48(7) . . ? C15A H16Be 2.67(6) . . ? C16A C16A 3.42(15) . 3_665 ? C16A C16A 3.53(9) . 18_545 ? C16A C16A 3.53(9) . 16 ? C16A C16A 3.42(15) . 2_655 ? C16A C12B 2.42(8) . . ? C16A C13B 2.51(9) . . ? C16A C14B 2.78(14) . . ? C16A C15B 2.79(12) . . ? C16A C16B 2.02(8) . . ? C16A H11A 1.65(6) . . ? C16A H11A 2.89(6) . 3_665 ? C16A H12Aa 2.93(6) . . ? C16A H14Aa 2.23(7) . . ? C16A H15Aa 2.08(7) . . ? C16A H15Ae 2.09(7) . . ? C16A H16Aa 2.91(6) . 18_545 ? C16A H16Aa 2.79(7) . 2_655 ? C16A H16Ae 2.77(6) . 16 ? C16A H16Ae 2.71(7) . 3_665 ? C16A H11B 3.03(7) . 3_665 ? C16A H12Be 2.89(5) . . ? C16A H13Ba 2.16(6) . . ? C16A H14Ba 2.77(8) . . ? C16A H16Ba 2.89(6) . . ? C16A H16Be 2.05(5) . . ? C12B C14B 2.35(13) . . ? C12B C15B 2.60(10) . . ? C12B C16B 3.30(15) . 2_655 ? C12B C16B 2.36(6) . . ? C12B H12Aa 2.33(5) . . ? C12B H13Aa 1.99(8) . . ? C12B H13Ae 2.84(7) . . ? C12B H15Aa 2.56(6) . . ? C12B H16Ae 2.74(6) . . ? C12B H11B 2.07(6) . . ? C12B H13Ba 2.12(6) . . ? C12B H13Be 2.12(7) . . ? C12B H14Ba 3.04(7) . . ? C12B H14Be 2.86(8) . . ? C12B H15Ba 2.79(6) . . ? C12B H16Ba 3.00(7) . 2_655 ? C12B H16Ba 2.73(5) . . ? C12B H16Be 2.89(7) . 2_655 ? C13B C15B 2.38(8) . . ? C13B C16B 2.93(7) . . ? C13B H11A 2.36(8) . . ? C13B H12Ae 2.62(6) . . ? C13B H13Ae 2.43(7) . . ? C13B H14Aa 2.92(5) . . ? C13B H14Ae 2.82(6) . . ? C13B H15Ae 2.77(6) . . ? C13B H16Ae 2.85(7) . . ? C13B H11B 2.51(7) . . ? C13B H12Ba 2.13(6) . . ? C13B H12Be 2.13(8) . . ? C13B H14Ba 1.75(7) . . ? C13B H14Be 1.75(8) . . ? C13B H15Ba 2.76(6) . . ? C13B H15Be 3.03(5) . . ? C14B C16B 2.70(12) . . ? C14B C216 3.79(10) . 8_544 ? C14B H12Aa 2.87(10) . . ? C14B H12Ae 2.92(11) . . ? C14B H13Ae 1.65(10) . . ? C14B H14Aa 2.19(8) . . ? C14B H14Ae 1.77(8) . . ? C14B H15Aa 1.57(10) . . ? C14B H15Ae 2.54(10) . . ? C14B H11B 2.96(12) . . ? C14B H12Ba 2.59(11) . . ? C14B H13Ba 1.74(10) . . ? C14B H13Be 1.75(7) . . ? C14B H15Ba 2.01(9) . . ? C14B H15Be 1.99(7) . . ? C14B H221 3.07(12) . 8_544 ? C15B H12Aa 1.69(10) . . ? C15B H12Ae 2.51(9) . . ? C15B H13Aa 2.11(6) . . ? C15B H14Ae 1.86(9) . . ? C15B H15Aa 2.71(7) . . ? C15B H16Aa 3.01(10) . . ? C15B H11B 2.94(10) . . ? C15B H12Ba 2.53(8) . . ? C15B H13Ba 2.91(7) . . ? C15B H13Be 3.07(6) . . ? C15B H14Ba 2.00(8) . . ? C15B H14Be 2.02(8) . . ? C15B H16Ba 2.14(10) . . ? C15B H16Be 2.13(10) . . ? C16B H11A 2.33(5) . . ? C16B H11A 2.52(7) . 3_665 ? C16B H12Ae 2.16(5) . . ? C16B H13Ae 2.91(7) . . ? C16B H14Aa 1.61(7) . . ? C16B H14Ae 2.99(7) . . ? C16B H16Aa 2.02(6) . . ? C16B H16Ae 2.85(6) . . ? C16B H11B 1.99(6) . . ? C16B H12Ba 2.46(5) . . ? C16B H12Be 2.57(6) . 3_665 ? C16B H14Ba 3.07(6) . . ? C16B H15Ba 2.18(7) . . ? C16B H15Be 2.17(7) . . ? C16B H235e 3.05(5) . 5_556 ? As2 C212 2.84(2) . . ? As2 C213 4.24(2) . . ? As2 C215 4.34(2) . . ? As2 C216 3.02(2) . . ? As2 C222 2.89(2) . . ? As2 C223 4.28(2) . . ? As2 C225 4.23(2) . . ? As2 C226 2.83(2) . . ? As2 C232 2.89(3) . . ? As2 C233 4.30(4) . . ? As2 C235 4.32(4) . . ? As2 C236 2.88(4) . . ? As2 H211 2.438(2) . . ? As2 H212a 2.952(2) . . ? As2 H212e 2.923(2) . . ? As2 H216a 3.155(3) . . ? As2 H216e 3.143(3) . . ? As2 H221 2.415(3) . . ? As2 H222a 2.9745(18) . . ? As2 H222e 3.024(2) . . ? As2 H226a 2.904(3) . . ? As2 H226e 2.918(3) . . ? As2 H231 2.323(2) . . ? As2 H232a 3.026(3) . . ? As2 H232e 2.971(3) . . ? As2 H236a 3.054(3) . . ? As2 H236e 2.923(3) . . ? C211 C213 2.48(3) . . ? C211 C214 2.90(3) . . ? C211 C215 2.48(3) . . ? C211 C221 3.12(2) . . ? C211 C226 3.55(3) . . ? C211 C231 3.13(3) . . ? C211 C232 3.64(3) . . ? C211 C236 3.58(3) . . ? C211 H212a 2.04(2) . . ? C211 H212e 2.05(3) . . ? C211 H213a 2.704(17) . . ? C211 H215a 2.69(2) . . ? C211 H216a 2.02(2) . . ? C211 H216e 2.03(3) . . ? C211 H226e 3.061(18) . . ? C212 C214 2.51(4) . . ? C212 C215 2.93(4) . . ? C212 C216 2.52(4) . . ? C212 C226 3.79(3) . . ? C212 H211 2.06(3) . . ? C212 H213a 2.027(18) . . ? C212 H213e 2.03(2) . . ? C212 H214a 2.73(3) . . ? C212 H216a 2.75(3) . . ? C213 C215 2.44(5) . . ? C213 C216 2.86(4) . . ? C213 H211 2.70(3) . . ? C213 H212a 2.04(3) . . ? C213 H212e 2.04(3) . . ? C213 H214a 2.00(3) . . ? C213 H214e 2.00(3) . . ? C213 H215a 2.65(4) . . ? C214 C216 2.46(3) . . ? C214 H15Ba 3.09(2) . 15_566 ? C214 H212a 2.77(3) . . ? C214 H213a 1.98(3) . . ? C214 H213e 1.98(4) . . ? C214 H215a 2.04(3) . . ? C214 H215e 2.04(4) . . ? C214 H216a 2.66(2) . . ? C215 H211 2.56(3) . . ? C215 H213a 2.63(3) . . ? C215 H214a 2.04(3) . . ? C215 H214e 2.04(3) . . ? C215 H216a 2.008(19) . . ? C215 H216e 2.01(2) . . ? C216 C221 3.37(3) . . ? C216 C226 3.75(3) . . ? C216 C236 3.73(3) . . ? C216 H211 1.90(2) . . ? C216 H212a 2.80(3) . . ? C216 H214a 2.66(2) . . ? C216 H215a 2.008(19) . . ? C216 H215e 2.01(2) . . ? C216 H221 2.975(18) . . ? C221 C223 2.51(2) . . ? C221 C224 2.96(3) . . ? C221 C225 2.52(3) . . ? C221 C231 3.05(3) . . ? C221 C236 3.35(4) . . ? C221 H216a 2.98(2) . . ? C221 H222a 2.02(2) . . ? C221 H222e 2.03(2) . . ? C221 H223a 2.72(2) . . ? C221 H225a 2.75(2) . . ? C221 H226a 2.02(3) . . ? C221 H226e 2.02(2) . . ? C221 H231 3.06(2) . . ? C221 H236e 2.81(3) . . ? C222 C224 2.50(3) . . ? C222 C225 2.91(3) . . ? C222 C226 2.44(3) . . ? C222 C231 3.42(3) . . ? C222 C236 3.71(4) . . ? C222 H221 2.01(2) . . ? C222 H223a 2.04(3) . . ? C222 H223e 2.05(2) . . ? C222 H224a 2.72(2) . . ? C222 H226a 2.64(3) . . ? C222 H231 2.99(2) . . ? C222 H236e 3.06(3) . . ? C223 C225 2.49(3) . . ? C223 C226 2.88(3) . . ? C223 H221 2.710(19) . . ? C223 H222a 2.04(3) . . ? C223 H222e 2.05(2) . . ? C223 H224a 2.00(3) . . ? C223 H224e 2.00(2) . . ? C223 H225a 2.73(2) . . ? C224 C226 2.51(3) . . ? C224 H222a 2.70(3) . . ? C224 H223a 2.00(3) . . ? C224 H223e 2.00(3) . . ? C224 H225a 2.06(2) . . ? C224 H225e 2.06(2) . . ? C224 H226a 2.73(3) . . ? C225 H221 2.76(2) . . ? C225 H223a 2.71(3) . . ? C225 H224a 2.06(2) . . ? C225 H224e 2.06(2) . . ? C225 H226a 2.02(3) . . ? C225 H226e 2.02(2) . . ? C226 H221 2.06(3) . . ? C226 H222a 2.64(2) . . ? C226 H224a 2.749(17) . . ? C226 H225a 2.03(3) . . ? C226 H225e 2.03(2) . . ? C231 C233 2.54(4) . . ? C231 C234 2.92(5) . . ? C231 C235 2.48(5) . . ? C231 H211 3.02(2) . . ? C231 H222e 2.96(2) . . ? C231 H232a 2.03(2) . . ? C231 H232e 2.04(3) . . ? C231 H233a 2.83(2) . . ? C231 H235a 2.74(3) . . ? C231 H236a 1.88(3) . . ? C231 H236e 1.88(3) . . ? C232 C234 2.50(6) . . ? C232 C235 2.90(5) . . ? C232 C236 2.40(4) . . ? C232 H231 2.04(2) . . ? C232 H233a 2.01(2) . . ? C232 H233e 2.02(3) . . ? C232 H234a 2.80(3) . . ? C232 H236a 2.59(3) . . ? C233 C235 2.46(5) . . ? C233 C236 2.85(4) . . ? C233 H231 2.77(4) . . ? C233 H232a 2.05(3) . . ? C233 H232e 2.03(5) . . ? C233 H234a 1.95(6) . . ? C233 H234e 1.93(5) . . ? C233 H235a 2.76(4) . . ? C234 C236 2.52(5) . . ? C234 H232a 2.83(5) . . ? C234 H233a 1.92(5) . . ? C234 H233e 1.90(5) . . ? C234 H235a 2.06(3) . . ? C234 H235e 2.05(4) . . ? C234 H236a 2.72(4) . . ? C235 H231 2.57(4) . . ? C235 H233a 2.73(3) . . ? C235 H234a 2.01(2) . . ? C235 H234e 2.00(3) . . ? C235 H236a 2.07(3) . . ? C235 H236e 2.08(3) . . ? C236 H216e 3.06(2) . . ? C236 H221 3.03(3) . . ? C236 H231 1.82(4) . . ? C236 H232a 2.70(3) . . ? C236 H234a 2.77(3) . . ? C236 H235a 2.08(2) . . ? C236 H235e 2.08(3) . . ? H11A H12Ae 2.2054(11) . . ? H11A H16Aa 2.3233(7) . 2_655 ? H11A H16Ae 1.7036(11) . . ? H11A H11B 1.0925(4) . . ? H11A H12Ba 2.1372(8) . . ? H11A H12Be 1.4441(4) . . ? H11A H13Ba 2.3622(6) . . ? H11A H16Be 2.1367(5) . 2_655 ? H12Aa H12Ae 1.5511(3) . . ? H12Aa H14Aa 2.3120(14) . . ? H12Aa H12Ba 1.9911(3) . . ? H12Aa H15Ba 1.6869(3) . . ? H12Aa H15Be 2.3917(8) . . ? H12Aa H16Be 1.8958(10) . . ? H12Ae H12Be 1.9306(5) . . ? H12Ae H15Ba 2.3348(5) . . ? H12Ae H16Ba 2.0227(3) . . ? H13Aa H13Ae 1.5512(4) . . ? H13Aa H15Aa 2.1286(13) . . ? H13Aa H12Ba 2.0441(6) . . ? H13Aa H13Ba 1.9477(9) . . ? H13Aa H13Be 1.1047(2) . . ? H13Aa H14Ba 1.8808(10) . . ? H13Aa H15Ba 2.1604(4) . . ? H13Ae H14Ba 2.3838(16) . . ? H13Ae H14Be 1.2883(6) . . ? H13Ae H15Be 2.0079(6) . . ? H14Aa H14Ae 1.5513(3) . . ? H14Aa H15Ae 2.3398(11) . . ? H14Aa H16Aa 2.1012(4) . . ? H14Aa H14Ba 2.1105(4) . . ? H14Aa H15Ba 2.2349(12) . . ? H14Aa H15Be 1.1141(2) . . ? H14Aa H16Ba 2.3894(12) . . ? H14Aa H16Be 1.4371(3) . . ? H14Ae H15Aa 2.3406(5) . . ? H14Ae H15Ae 2.0831(6) . . ? H14Ae H14Ba 1.2282(2) . . ? H14Ae H14Be 2.2583(7) . . ? H14Ae H15Be 1.3507(7) . . ? H15Aa H15Ae 1.5511(5) . . ? H15Aa H16Ae 2.3468(4) . . ? H15Aa H11B 2.3614(5) . . ? H15Aa H13Be 1.9747(8) . . ? H15Aa H14Ba 1.3149(3) . . ? H15Aa H14Be 2.3542(9) . . ? H15Ae H16Aa 2.3267(6) . . ? H15Ae H13Ba 2.1619(7) . . ? H15Ae H14Ba 1.8585(7) . . ? H16Aa H16Ae 2.3256(16) . 16 ? H16Aa H16Ae 1.5513(3) . . ? H16Aa H16Ae 1.9979(4) . 3_665 ? H16Aa H11B 1.3513(3) . . ? H16Aa H16Be 1.5984(7) . . ? H16Ae H13Ba 2.2968(5) . . ? H11B H13Ba 2.2685(5) . . ? H11B H16Be 2.2024(4) . . ? H12Ba H12Be 1.5511(4) . . ? H12Ba H15Ba 2.3868(6) . . ? H12Be H16Ba 2.2418(4) . 2_655 ? H12Be H16Be 2.1505(4) . 2_655 ? H13Ba H13Be 1.5513(6) . . ? H13Ba H14Ba 1.8009(4) . . ? H13Be H14Ba 2.2899(5) . . ? H13Be H14Be 1.7960(4) . . ? H14Ba H14Be 1.5514(8) . . ? H14Ba H15Be 2.0602(5) . . ? H14Be H15Ba 2.0639(5) . . ? H14Be H15Be 2.3861(4) . . ? H15Ba H15Be 1.5513(8) . . ? H15Ba H16Ba 2.2879(4) . . ? H15Be H16Be 2.2910(4) . . ? H16Ba H16Be 1.5513(10) . . ? H16Be H235e 2.2924(4) . 5_556 ? H211 H212e 2.3546(4) . . ? H211 H216e 2.1493(5) . . ? H212a H212e 1.5511(8) . . ? H212a H213e 2.2822(4) . . ? H212e H213a 2.2741(5) . . ? H212e H213e 2.3565(9) . . ? H213a H213e 1.5514(7) . . ? H213a H214e 2.2443(11) . . ? H213e H214a 2.2519(5) . . ? H213e H214e 2.2770(4) . . ? H214a H214e 1.5512(3) . . ? H214a H215e 2.3143(4) . . ? H214e H215a 2.3133(10) . . ? H214e H215e 2.3338(5) . . ? H215a H215e 1.5514(8) . . ? H215a H216e 2.2794(4) . . ? H215e H216a 2.2780(5) . . ? H215e H216e 2.3095(8) . . ? H216a H216e 1.5515(7) . . ? H216e H236a 2.3819(13) . . ? H221 H222e 2.2734(7) . . ? H221 H226e 2.3294(7) . . ? H221 H236e 2.3625(13) . . ? H222a H222e 1.5514(3) . . ? H222a H223e 2.3157(5) . . ? H222e H223a 2.3149(12) . . ? H222e H223e 2.3377(7) . . ? H223a H223e 1.5512(4) . . ? H223a H224e 2.2471(9) . . ? H223e H224a 2.2483(7) . . ? H223e H224e 2.3095(16) . . ? H224a H224e 1.5512(4) . . ? H224a H225e 2.3043(7) . . ? H224e H225a 2.3048(4) . . ? H224e H225e 2.3821(5) . . ? H225a H225e 1.5513(2) . . ? H225a H226e 2.2814(5) . . ? H225e H226a 2.2777(13) . . ? H225e H226e 2.3325(7) . . ? H226a H226e 1.5513(4) . . ? H231 H232e 2.2997(6) . . ? H231 H236e 2.0505(5) . . ? H232a H232e 1.5511(4) . . ? H232a H233e 2.2063(14) . . ? H232e H233a 2.2000(7) . . ? H232e H233e 2.3838(8) . . ? H233a H233e 1.5513(3) . . ? H233a H234e 2.0927(3) . . ? H233e H234a 2.0975(4) . . ? H233e H234e 2.2643(5) . . ? H234a H234e 1.5513(4) . . ? H234a H235e 2.2321(6) . . ? H234e H235a 2.2391(9) . . ? H234e H235e 2.3768(14) . . ? H235a H235e 1.5513(3) . . ? H235a H236e 2.3302(14) . . ? H235e H236a 2.3207(6) . . ? H235e H236e 2.3803(9) . . ? H236a H236e 1.5515(2) . . ? loop_ _geom_angle_atom_site_label_1 #ActaC _geom_angle_atom_site_label_2 #ActaC _geom_angle_atom_site_label_3 #ActaC _geom_angle #ActaC _geom_angle_site_symmetry_1 #ActaC _geom_angle_site_symmetry_2 #ActaC _geom_angle_site_symmetry_3 #ActaC _geom_angle_publ_flag #ActaC Br2 Ag1 As1 114.43(8) . . . ? Br2 Ag1 Br2 104.10(11) . . 2_655 ? Br2 Ag1 Br2 104.10(13) . . 3_665 ? As1 Ag1 Br2 114.42(9) . . 2_655 ? As1 Ag1 Br2 114.42(8) . . 3_665 ? Br2 Ag1 Br2 104.09(12) 2_655 . 3_665 ? Br1 Ag2 Br2 95.01(8) . . . ? Br1 Ag2 As2 115.23(11) . . . ? Br1 Ag2 Br2 105.43(12) . . 3_665 ? Br2 Ag2 As2 95.04(10) . . . ? Br2 Ag2 Br2 98.81(10) . . 3_665 ? As2 Ag2 Br2 135.50(10) . . 3_665 ? Ag2 Br1 Ag2 80.58(13) . . 2_655 ? Ag2 Br1 Ag2 80.57(13) . . 3_665 ? Ag2 Br1 Ag2 80.57(13) 2_655 . 3_665 ? Ag1 Br2 Ag2 73.31(9) . . . ? Ag1 Br2 Ag2 80.37(11) . . 2_655 ? Ag2 Br2 Ag2 77.52(9) . . 2_655 ? Ag1 As1 C11 114.9(9) . . . ? Ag1 As1 C11 114.9(11) . . 2_655 ? Ag1 As1 C11 114.9(10) . . 3_665 ? C11 As1 C11 103.6(16) . . 2_655 ? C11 As1 C11 103.6(19) . . 3_665 ? C11 As1 C11 103.6(15) 2_655 . 3_665 ? As1 C11 C12A 111(3) . . . ? As1 C11 C16A 122(4) . . . ? As1 C11 C12B 112(3) . . . ? As1 C11 C16B 107(3) . . . ? As1 C11 H11A 82(3) . . . ? As1 C11 H11B 106(3) . . . ? C12A C11 C16A 125(5) . . . ? C12A C11 C12B 55(3) . . . ? C12A C11 C16B 54(3) . . . ? C12A C11 H11A 113(3) . . . ? C12A C11 H11B 143(5) . . . ? C16A C11 C12B 112(4) . . . ? C16A C11 C16B 94(4) . . . ? C16A C11 H11A 90(3) . . . ? C16A C11 H11B 22(3) . . . ? C12B C11 C16B 106(4) . . . ? C12B C11 H11A 60(3) . . . ? C12B C11 H11B 109(3) . . . ? C16B C11 H11A 166(5) . . . ? C16B C11 H11B 116(3) . . . ? H11A C11 H11B 71(2) . . . ? C11 C12A C13A 114(4) . . . ? C11 C12A C12B 66(4) . . . ? C11 C12A C15B 106(5) . . . ? C11 C12A C16B 61(4) . . . ? C11 C12A H12Aa 108(6) . . . ? C11 C12A H12Ae 108(7) . . . ? C11 C12A H12Ba 104(5) . . . ? C11 C12A H16Ba 85(4) . . . ? C13A C12A C12B 82(5) . . . ? C13A C12A C15B 40(4) . . . ? C13A C12A C16B 103(6) . . . ? C13A C12A H12Aa 108(7) . . . ? C13A C12A H12Ae 109(6) . . . ? C13A C12A H12Ba 82(4) . . . ? C13A C12A H16Ba 125(5) . . . ? C12B C12A C15B 115(6) . . . ? C12B C12A C16B 124(6) . . . ? C12B C12A H12Aa 170(*) . . . ? C12B C12A H12Ae 66(4) . . . ? C12B C12A H12Ba 42(3) . . . ? C12B C12A H16Ba 148(8) . . . ? C15B C12A C16B 66(5) . . . ? C15B C12A H12Aa 74(5) . . . ? C15B C12A H12Ae 142(8) . . . ? C15B C12A H12Ba 122(7) . . . ? C15B C12A H16Ba 85(4) . . . ? C16B C12A H12Aa 55(4) . . . ? C16B C12A H12Ae 148(9) . . . ? C16B C12A H12Ba 165(8) . . . ? C16B C12A H16Ba 41(3) . . . ? H12Aa C12A H12Ae 110(6) . . . ? H12Aa C12A H12Ba 138(6) . . . ? H12Aa C12A H16Ba 24(2) . . . ? H12Ae C12A H12Ba 32.4(17) . . . ? H12Ae C12A H16Ba 113(6) . . . ? H12Ba C12A H16Ba 145(6) . . . ? C12A C13A C14A 91(5) . . . ? C12A C13A C13B 89(5) . . . ? C12A C13A C14B 121(9) . . . ? C12A C13A C15B 69(6) . . . ? C12A C13A H13Aa 114(5) . . . ? C12A C13A H13Ae 114(5) . . . ? C12A C13A H14Be 168(5) . . . ? C12A C13A H15Ba 73(4) . . . ? C14A C13A C13B 84(4) . . . ? C14A C13A C14B 50(6) . . . ? C14A C13A C15B 45(5) . . . ? C14A C13A H13Aa 115(5) . . . ? C14A C13A H13Ae 115(5) . . . ? C14A C13A H14Be 92(5) . . . ? C14A C13A H15Ba 89(4) . . . ? C13B C13A C14B 51(7) . . . ? C13B C13A C15B 121(7) . . . ? C13B C13A H13Aa 42(3) . . . ? C13B C13A H13Ae 149(6) . . . ? C13B C13A H14Be 79(4) . . . ? C13B C13A H15Ba 160(6) . . . ? C14B C13A C15B 94(7) . . . ? C14B C13A H13Aa 67(5) . . . ? C14B C13A H13Ae 121(10) . . . ? C14B C13A H14Be 54(7) . . . ? C14B C13A H15Ba 134(7) . . . ? C15B C13A H13Aa 160(7) . . . ? C15B C13A H13Ae 88(6) . . . ? C15B C13A H14Be 121(7) . . . ? C15B C13A H15Ba 46(4) . . . ? H13Aa C13A H13Ae 107(6) . . . ? H13Aa C13A H14Be 54(3) . . . ? H13Aa C13A H15Ba 153(6) . . . ? H13Ae C13A H14Be 75(5) . . . ? H13Ae C13A H15Ba 50(2) . . . ? H14Be C13A H15Ba 119(6) . . . ? C13A C14A C15A 104(6) . . . ? C13A C14A C14B 31(5) . . . ? C13A C14A C15B 42(4) . . . ? C13A C14A H14Aa 112(8) . . . ? C13A C14A H14Ae 113(9) . . . ? C13A C14A H14Ba 72(4) . . . ? C13A C14A H15Be 78(5) . . . ? C15A C14A C14B 83(7) . . . ? C15A C14A C15B 133(*) . . . ? C15A C14A H14Aa 109(11) . . . ? C15A C14A H14Ae 108(8) . . . ? C15A C14A H14Ba 65(5) . . . ? C15A C14A H15Be 171(11) . . . ? C14B C14A C15B 73(7) . . . ? C14B C14A H14Aa 142(10) . . . ? C14B C14A H14Ae 99(*) . . . ? C14B C14A H14Ba 41(5) . . . ? C14B C14A H15Be 102(8) . . . ? C15B C14A H14Aa 73(7) . . . ? C15B C14A H14Ae 115(11) . . . ? C15B C14A H14Ba 112(8) . . . ? C15B C14A H15Be 45(5) . . . ? H14Aa C14A H14Ae 110(8) . . . ? H14Aa C14A H14Ba 174(11) . . . ? H14Aa C14A H15Be 62(5) . . . ? H14Ae C14A H14Ba 70(7) . . . ? H14Ae C14A H15Be 78(8) . . . ? H14Ba C14A H15Be 123(10) . . . ? C14A C15A C16A 104(7) . . . ? C14A C15A C13B 84(5) . . . ? C14A C15A C14B 50(5) . . . ? C14A C15A H15Aa 112(8) . . . ? C14A C15A H15Ae 116(8) . . . ? C14A C15A H14Ba 52(6) . . . ? C16A C15A C13B 90(5) . . . ? C16A C15A C14B 112(6) . . . ? C16A C15A H15Aa 106(6) . . . ? C16A C15A H15Ae 109(7) . . . ? C16A C15A H14Ba 142(5) . . . ? C13B C15A C14B 38(4) . . . ? C13B C15A H15Aa 37(3) . . . ? C13B C15A H15Ae 146(5) . . . ? C13B C15A H14Ba 61(3) . . . ? C14B C15A H15Aa 62(4) . . . ? C14B C15A H15Ae 139(9) . . . ? C14B C15A H14Ba 30(4) . . . ? H15Aa C15A H15Ae 108(6) . . . ? H15Aa C15A H14Ba 67(5) . . . ? H15Ae C15A H14Ba 108(8) . . . ? C11 C16A C15A 115(6) . . . ? C11 C16A H16Aa 105(5) . . . ? C11 C16A H16Ae 109(6) . . . ? C11 C16A H11B 36(4) . . . ? C15A C16A H16Aa 105(6) . . . ? C15A C16A H16Ae 112(6) . . . ? C15A C16A H11B 134(8) . . . ? H16Aa C16A H16Ae 111(7) . . . ? H16Aa C16A H11B 116(9) . . . ? H16Ae C16A H11B 73(6) . . . ? C11 C12B C12A 59(4) . . . ? C11 C12B C13B 103(4) . . . ? C11 C12B H11A 37(2) . . . ? C11 C12B H12Ae 85(3) . . . ? C11 C12B H12Ba 111(4) . . . ? C11 C12B H12Be 111(7) . . . ? C12A C12B C13B 100(6) . . . ? C12A C12B H11A 95(5) . . . ? C12A C12B H12Ae 41(3) . . . ? C12A C12B H12Ba 57(4) . . . ? C12A C12B H12Be 149(8) . . . ? C13B C12B H11A 106(4) . . . ? C13B C12B H12Ae 127(6) . . . ? C13B C12B H12Ba 112(7) . . . ? C13B C12B H12Be 111(5) . . . ? H11A C12B H12Ae 110(5) . . . ? H11A C12B H12Ba 136(6) . . . ? H11A C12B H12Be 75(5) . . . ? H12Ae C12B H12Ba 26.1(16) . . . ? H12Ae C12B H12Be 114(6) . . . ? H12Ba C12B H12Be 110(6) . . . ? C13A C13B C15A 87(4) . . . ? C13A C13B C12B 81(4) . . . ? C13A C13B C14B 37(5) . . . ? C13A C13B H13Aa 38(3) . . . ? C13A C13B H15Aa 109(4) . . . ? C13A C13B H13Ba 137(5) . . . ? C13A C13B H13Be 104(6) . . . ? C15A C13B C12B 105(5) . . . ? C15A C13B C14B 63(6) . . . ? C15A C13B H13Aa 117(5) . . . ? C15A C13B H15Aa 27(2) . . . ? C15A C13B H13Ba 50(3) . . . ? C15A C13B H13Be 144(6) . . . ? C12B C13B C14B 113(6) . . . ? C12B C13B H13Aa 95(5) . . . ? C12B C13B H15Aa 123(6) . . . ? C12B C13B H13Ba 111(7) . . . ? C12B C13B H13Be 110(5) . . . ? C14B C13B H13Aa 54(6) . . . ? C14B C13B H15Aa 77(6) . . . ? C14B C13B H13Ba 107(7) . . . ? C14B C13B H13Be 107(8) . . . ? H13Aa C13B H15Aa 128(7) . . . ? H13Aa C13B H13Ba 153(9) . . . ? H13Aa C13B H13Be 66(4) . . . ? H15Aa C13B H13Ba 29.6(19) . . . ? H15Aa C13B H13Be 120(6) . . . ? H13Ba C13B H13Be 109(5) . . . ? C13A C14B C14A 99(8) . . . ? C13A C14B C15A 126(10) . . . ? C13A C14B C13B 92(9) . . . ? C13A C14B C15B 49(5) . . . ? C13A C14B H13Aa 58(6) . . . ? C13A C14B H14Ba 153(9) . . . ? C13A C14B H14Be 74(9) . . . ? C14A C14B C15A 47(6) . . . ? C14A C14B C13B 119(11) . . . ? C14A C14B C15B 50(5) . . . ? C14A C14B H13Aa 154(10) . . . ? C14A C14B H14Ba 57(6) . . . ? C14A C14B H14Be 133(10) . . . ? C15A C14B C13B 79(7) . . . ? C15A C14B C15B 89(6) . . . ? C15A C14B H13Aa 134(9) . . . ? C15A C14B H14Ba 48(6) . . . ? C15A C14B H14Be 159(*) . . . ? C13B C14B C15B 118(9) . . . ? C13B C14B H13Aa 55(5) . . . ? C13B C14B H14Ba 110(9) . . . ? C13B C14B H14Be 107(7) . . . ? C15B C14B H13Aa 107(8) . . . ? C15B C14B H14Ba 105(6) . . . ? C15B C14B H14Be 104(8) . . . ? H13Aa C14B H14Ba 148(9) . . . ? H13Aa C14B H14Be 57(5) . . . ? H14Ba C14B H14Be 112(12) . . . ? C12A C15B C13A 71(6) . . . ? C12A C15B C14A 114(8) . . . ? C12A C15B C14B 92(6) . . . ? C12A C15B C16B 45(4) . . . ? C12A C15B H13Ae 92(4) . . . ? C12A C15B H14Aa 106(7) . . . ? C12A C15B H15Ba 81(6) . . . ? C12A C15B H15Be 157(9) . . . ? C13A C15B C14A 93(6) . . . ? C13A C15B C14B 37(5) . . . ? C13A C15B C16B 112(7) . . . ? C13A C15B H13Ae 40(4) . . . ? C13A C15B H14Aa 133(7) . . . ? C13A C15B H15Ba 71(5) . . . ? C13A C15B H15Be 131(10) . . . ? C14A C15B C14B 57(6) . . . ? C14A C15B C16B 93(8) . . . ? C14A C15B H13Ae 116(8) . . . ? C14A C15B H14Aa 43(5) . . . ? C14A C15B H15Ba 155(11) . . . ? C14A C15B H15Be 63(6) . . . ? C14B C15B C16B 115(7) . . . ? C14B C15B H13Ae 65(5) . . . ? C14B C15B H14Aa 99(6) . . . ? C14B C15B H15Ba 104(7) . . . ? C14B C15B H15Be 103(8) . . . ? C16B C15B H13Ae 136(6) . . . ? C16B C15B H14Aa 64(5) . . . ? C16B C15B H15Ba 111(8) . . . ? C16B C15B H15Be 112(7) . . . ? H13Ae C15B H14Aa 157(7) . . . ? H13Ae C15B H15Ba 40(3) . . . ? H13Ae C15B H15Be 110(9) . . . ? H14Aa C15B H15Ba 156(6) . . . ? H14Aa C15B H15Be 56(4) . . . ? H15Ba C15B H15Be 111(9) . . . ? C11 C16B C12A 65(4) . . . ? C11 C16B C15B 111(4) . . . ? C11 C16B H12Aa 105(4) . . . ? C11 C16B H16Ba 111(5) . . . ? C11 C16B H16Be 111(6) . . . ? C12A C16B C15B 69(6) . . . ? C12A C16B H12Aa 46(3) . . . ? C12A C16B H16Ba 79(4) . . . ? C12A C16B H16Be 173(6) . . . ? C15B C16B H12Aa 73(5) . . . ? C15B C16B H16Ba 107(6) . . . ? C15B C16B H16Be 108(6) . . . ? H12Aa C16B H16Ba 40(2) . . . ? H12Aa C16B H16Be 140(5) . . . ? H16Ba C16B H16Be 109(5) . . . ? Ag2 As2 C211 120.5(8) . . . ? Ag2 As2 C221 113.0(8) . . . ? Ag2 As2 C231 109.0(9) . . . ? C211 As2 C221 105.0(9) . . . ? C211 As2 C231 105.0(10) . . . ? C221 As2 C231 102.8(10) . . . ? As2 C211 C212 107.7(16) . . . ? As2 C211 C216 118.8(13) . . . ? As2 C211 H211 106.3(13) . . . ? C212 C211 C216 113.4(17) . . . ? C212 C211 H211 111.3(18) . . . ? C216 C211 H211 99(2) . . . ? C211 C212 C213 110(2) . . . ? C211 C212 H212a 110(2) . . . ? C211 C212 H212e 110(2) . . . ? C213 C212 H212a 109(2) . . . ? C213 C212 H212e 109(2) . . . ? H212a C212 H212e 108(3) . . . ? C212 C213 C214 114(2) . . . ? C212 C213 H213a 108(2) . . . ? C212 C213 H213e 109(3) . . . ? C214 C213 H213a 108(3) . . . ? C214 C213 H213e 108(2) . . . ? H213a C213 H213e 109(2) . . . ? C213 C214 C215 110(2) . . . ? C213 C214 H214a 109(3) . . . ? C213 C214 H214e 110(3) . . . ? C215 C214 H214a 109(3) . . . ? C215 C214 H214e 109(3) . . . ? H214a C214 H214e 109(2) . . . ? C214 C215 C216 110(2) . . . ? C214 C215 H215a 109(2) . . . ? C214 C215 H215e 109(2) . . . ? C216 C215 H215a 109(2) . . . ? C216 C215 H215e 110(2) . . . ? H215a C215 H215e 109(3) . . . ? C211 C216 C215 112(2) . . . ? C211 C216 H216a 109(2) . . . ? C211 C216 H216e 109.1(18) . . . ? C215 C216 H216a 109.0(19) . . . ? C215 C216 H216e 109(2) . . . ? H216a C216 H216e 109(2) . . . ? As2 C221 C222 112.8(16) . . . ? As2 C221 C226 109.2(15) . . . ? As2 C221 H221 107.4(15) . . . ? C222 C221 C226 108.6(18) . . . ? C222 C221 H221 107(2) . . . ? C226 C221 H221 111(2) . . . ? C221 C222 C223 112.2(19) . . . ? C221 C222 H222a 109(2) . . . ? C221 C222 H222e 109(2) . . . ? C223 C222 H222a 108(2) . . . ? C223 C222 H222e 109(2) . . . ? H222a C222 H222e 109(2) . . . ? C222 C223 C224 112(2) . . . ? C222 C223 H223a 109(2) . . . ? C222 C223 H223e 109(2) . . . ? C224 C223 H223a 109(2) . . . ? C224 C223 H223e 109(2) . . . ? H223a C223 H223e 109(2) . . . ? C223 C224 C225 111(2) . . . ? C223 C224 H224a 109(2) . . . ? C223 C224 H224e 109(3) . . . ? C225 C224 H224a 109(3) . . . ? C225 C224 H224e 109(2) . . . ? H224a C224 H224e 109(2) . . . ? C224 C225 C226 111.2(18) . . . ? C224 C225 H225a 109(3) . . . ? C224 C225 H225e 109(2) . . . ? C226 C225 H225a 109(2) . . . ? C226 C225 H225e 110(3) . . . ? H225a C225 H225e 109(2) . . . ? C221 C226 C225 114(2) . . . ? C221 C226 H226a 108(2) . . . ? C221 C226 H226e 109(2) . . . ? C225 C226 H226a 108(2) . . . ? C225 C226 H226e 109(2) . . . ? H226a C226 H226e 109(2) . . . ? As2 C231 C232 112.5(18) . . . ? As2 C231 C236 119.0(18) . . . ? As2 C231 H231 100(2) . . . ? C232 C231 C236 112(2) . . . ? C232 C231 H231 109(2) . . . ? C236 C231 H231 101(2) . . . ? C231 C232 C233 114(2) . . . ? C231 C232 H232a 109(2) . . . ? C231 C232 H232e 109(2) . . . ? C233 C232 H232a 109(3) . . . ? C233 C232 H232e 108(3) . . . ? H232a C232 H232e 109(2) . . . ? C232 C233 C234 116(3) . . . ? C232 C233 H233a 107(4) . . . ? C232 C233 H233e 107(3) . . . ? C234 C233 H233a 108(4) . . . ? C234 C233 H233e 106(5) . . . ? H233a C233 H233e 112(4) . . . ? C233 C234 C235 114(4) . . . ? C233 C234 H234a 110(4) . . . ? C233 C234 H234e 107(4) . . . ? C235 C234 H234a 108(4) . . . ? C235 C234 H234e 106(3) . . . ? H234a C234 H234e 111(5) . . . ? C234 C235 C236 109(3) . . . ? C234 C235 H235a 111(3) . . . ? C234 C235 H235e 110(3) . . . ? C236 C235 H235a 109(3) . . . ? C236 C235 H235e 108(3) . . . ? H235a C235 H235e 109(3) . . . ? C231 C236 C235 115(2) . . . ? C231 C236 H236a 107(3) . . . ? C231 C236 H236e 108(3) . . . ? C235 C236 H236a 108(3) . . . ? C235 C236 H236e 109(2) . . . ? H236a C236 H236e 110(3) . . . ? C11 H11A C12B 83(3) . . . ? C12A H12Aa C16B 79(4) . . . ? C12A H12Aa H16Ba 123(5) . . . ? C16B H12Aa H16Ba 62(3) . . . ? C12A H12Ae C12B 73(4) . . . ? C12A H12Ae H12Ba 95(4) . . . ? C12B H12Ae H12Ba 41(3) . . . ? C13A H13Aa C13B 100(5) . . . ? C13A H13Aa C14B 55(6) . . . ? C13A H13Aa H14Be 72(4) . . . ? C13B H13Aa C14B 71(7) . . . ? C13B H13Aa H14Be 120(4) . . . ? C14B H13Aa H14Be 57(7) . . . ? C13A H13Ae C15B 52(4) . . . ? C13A H13Ae H15Ba 81(3) . . . ? C15B H13Ae H15Ba 39(3) . . . ? C14A H14Aa C15B 64(6) . . . ? C15A H15Aa C13B 116(4) . . . ? C15A H15Aa H13Ba 133(5) . . . ? C13B H15Aa H13Ba 44(3) . . . ? C16A H16Ae H11B 38(4) . . . ? C11 H11B C16A 121(7) . . . ? C11 H11B H16Ae 168.9(17) . . . ? C16A H11B H16Ae 69(6) . . . ? C12A H12Ba C12B 80(4) . . . ? C12A H12Ba H12Ae 53(3) . . . ? C12B H12Ba H12Ae 113(4) . . . ? C13B H13Ba H15Aa 107(4) . . . ? C14A H14Ba C15A 62(6) . . . ? C14A H14Ba C14B 81(7) . . . ? C15A H14Ba C14B 102(8) . . . ? C13A H14Be C14B 52(6) . . . ? C13A H14Be H13Aa 54(2) . . . ? C14B H14Be H13Aa 66(6) . . . ? C13A H15Ba C15B 63(4) . . . ? C13A H15Ba H13Ae 49(3) . . . ? C15B H15Ba H13Ae 102(5) . . . ? C14A H15Be C15B 72(7) . . . ? C12A H16Ba C16B 61(4) . . . ? C12A H16Ba H12Aa 33(3) . . . ? C16B H16Ba H12Aa 78(4) . . . ? loop_ _geom_torsion_atom_site_label_1 #ActaC _geom_torsion_atom_site_label_2 #ActaC _geom_torsion_atom_site_label_3 #ActaC _geom_torsion_atom_site_label_4 #ActaC _geom_torsion #ActaC _geom_torsion_site_symmetry_1 #ActaC _geom_torsion_site_symmetry_2 #ActaC _geom_torsion_site_symmetry_3 #ActaC _geom_torsion_site_symmetry_4 #ActaC _geom_torsion_publ_flag #ActaC ? ? ? ? ? ? ? ? ? ? _reflns_limit_h_min 0 _reflns_limit_h_max 23 _reflns_limit_k_min 0 _reflns_limit_k_max 23 _reflns_limit_l_min -33 _reflns_limit_l_max 33 _reflns_number_total 4857 #ActaC _reflns_number_observed 1471 #ActaC _reflns_observed_criterion refl_observed_if_F____>_.000_sigma(F___) _reflns_d_resolution_high .841 _reflns_d_resolution_low 11.433 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 14.6384 #=END data_cyagas _audit_creation_date 97-11-27 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common 'AgI:As(C6H11)3 (1:1)' #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum ? #ActaC _chemical_formula_weight ? #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #ActaC _computing_data_reduction xtal_DIFDAT_SORTRF_ADDREF_ABSORB #ActaC _computing_structure_solution xtal #ActaC _computing_structure_refinement xtal_CRYLSQ #ActaC _computing_molecular_graphics xtal #ActaC _computing_publication_material xtal_BONDLA_CIFIO #ActaC _cell_length_a 15.660(7) #ActaC _cell_length_b 29.284(9) #ActaC _cell_length_c 19.312(6) #ActaC _cell_angle_alpha 90.00000 #ActaC _cell_angle_beta 108.67(3) #ActaC _cell_angle_gamma 90.00000 #ActaC _cell_volume 8390(5) #ActaC _cell_formula_units_Z 8 #ActaC _cell_measurement_temperature 293 #ActaC _cell_measurement_reflns_used ? #ActaC _cell_measurement_theta_min ? #ActaC _cell_measurement_theta_max ? #ActaC _cell_special_details #ActaC ; ? ; _symmetry_cell_setting monoclinic #ActaC _symmetry_space_group_name_H-M ? #ActaC _symmetry_space_group_name_Hall -C_2yc #ActaC loop_ _symmetry_equiv_pos_as_xyz #ActaC +x,+y,+z -x,+y,1/2-z -x,-y,-z +x,-y,1/2+z 1/2+x,1/2+y,+z 1/2-x,1/2+y,1/2-z 1/2-x,1/2-y,-z 1/2+x,1/2-y,1/2+z _exptl_crystal_description ? #ActaC _exptl_crystal_preparation ? _exptl_crystal_colour ? #ActaC _exptl_crystal_size_max ? #ActaC _exptl_crystal_size_mid ? #ActaC _exptl_crystal_size_min ? #ActaC _exptl_crystal_density_diffrn 1.771 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 4384 #ActaC _exptl_absorpt_process_details ? _exptl_absorpt_coefficient_mu ? #ActaC _exptl_absorpt_correction_type ? #ActaC _exptl_absorpt_correction_T_min ? #ActaC _exptl_absorpt_correction_T_max ? #ActaC _exptl_special_details #ActaC ; ? ; _diffrn_special_details ; ? ; _diffrn_ambient_temperature 293 #ActaC _diffrn_radiation_wavelength ? #ActaC _diffrn_radiation_type xray_tube #ActaC _diffrn_radiation_source ? #ActaC _diffrn_radiation_monochromator ? #ActaC _diffrn_radiation_detector ? #ActaC _diffrn_measurement_device CAD4 #ActaC _diffrn_measurement_method ? #ActaC _diffrn_standards_number ? #ActaC _diffrn_standards_interval_count ? #ActaC _diffrn_standards_interval_time ? #ActaC _diffrn_standards_decay_% ? #ActaC loop_ _diffrn_standard_refln_index_h #ActaC _diffrn_standard_refln_index_k #ActaC _diffrn_standard_refln_index_l #ActaC ? ? ? loop_ _diffrn_attenuator_code _diffrn_attenuator_scale ? ? _diffrn_reflns_number 7534 #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI 0 #ActaC _diffrn_reflns_limit_h_min 0 #ActaC _diffrn_reflns_limit_h_max 18 #ActaC _diffrn_reflns_limit_k_min 0 #ActaC _diffrn_reflns_limit_k_max 34 #ActaC _diffrn_reflns_limit_l_min -22 #ActaC _diffrn_reflns_limit_l_max 21 #ActaC _diffrn_reflns_theta_min 1.39 #ActaC _diffrn_reflns_theta_max 24.97 #ActaC _diffrn_reflns_reduction_process perpendicular_monochr_Lp #ActaC loop_ _atom_type_symbol #ActaC _atom_type_description #ActaC _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real #ActaC _atom_type_scat_dispersion_imag #ActaC _atom_type_scat_source #ActaC C ? 0 288 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 528 0 0 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 I ? 0 16 -.726 1.812 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Ag ? 0 16 -1.085 1.101 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 As ? 0 16 -.03 2.007 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 loop_ _atom_site_label #ActaC _atom_site_fract_x #ActaC _atom_site_fract_y #ActaC _atom_site_fract_z #ActaC _atom_site_U_iso_or_equiv #ActaC _atom_site_thermal_displace_type #ActaC _atom_site_calc_flag #ActaC _atom_site_calc_attached_atom #ActaC Ag1 .39887(7) .33731(3) .76179(6) .0926(7) Uani ? ? Ag2 .42657(6) .41684(3) .65711(5) .0851(6) Uani ? ? I1 .42845(6) .32262(3) .62289(4) .0835(5) Uani ? ? I2 .38380(5) .43230(3) .79871(4) .0703(5) Uani ? ? As1 .28418(8) .27764(4) .77234(6) .0705(7) Uani ? ? C111 .3405(10) .2190(5) .8131(8) .136(12) Uani ? ? C112 .4215(10) .2118(5) .8092(12) .187(15) Uani ? ? C113 .4754(11) .1711(6) .8477(9) .170(14) Uani ? ? C114 .4298(13) .1401(6) .8805(14) .27(2) Uani ? ? C115 .3489(16) .1468(5) .8808(11) .230(18) Uani ? ? C116 .2930(10) .1874(4) .8453(8) .118(10) Uani ? ? C121 .2171(8) .2965(4) .8370(6) .086(8) Uani ? ? C122 .2822(9) .3073(5) .9128(7) .111(10) Uani ? ? C123 .2391(11) .3271(5) .9629(8) .138(12) Uani ? ? C124 .1882(11) .3705(5) .9280(8) .140(12) Uani ? ? C125 .1215(10) .3612(5) .8544(10) .149(13) Uani ? ? C126 .1643(9) .3400(5) .8064(7) .114(10) Uani ? ? C131 .1897(9) .2613(5) .6797(7) .130(11) Uani ? ? C132 .1092(10) .2352(5) .6840(8) .133(11) Uani ? ? C133 .0438(14) .2250(8) .6081(12) .30(2) Uani ? ? C134 .0410(12) .2485(8) .5520(10) .24(2) Uani ? ? C135 .1223(11) .2693(8) .5483(8) .227(19) Uani ? ? C136 .1890(12) .2799(10) .6226(8) .32(3) Uani ? ? As2 .30691(7) .46681(4) .57077(6) .0635(7) Uani ? ? C211 .2001(7) .4699(4) .6021(8) .103(9) Uani ? ? C212 .1645(7) .4224(4) .6094(7) .091(8) Uani ? ? C213 .0877(10) .4243(5) .6401(13) .214(18) Uani ? ? C214 .0280(9) .4592(5) .6244(10) .146(12) Uani ? ? C215 .0659(7) .5048(4) .6187(7) .086(8) Uani ? ? C216 .1385(9) .5050(4) .5833(9) .133(11) Uani ? ? C221 .2609(9) .4515(4) .4668(7) .110(9) Uani ? ? C222 .2153(9) .4872(4) .4146(6) .100(9) Uani ? ? C223 .1833(11) .4719(6) .3361(7) .153(13) Uani ? ? C224A .227(2) .4417(10) .3126(14) .12(2) Uani ? ? C224B .164(2) .4237(9) .3201(14) .14(2) Uani ? ? C225 .2409(11) .3963(5) .3655(8) .157(13) Uani ? ? C226A .300(2) .4108(12) .4499(18) .21(3) Uani ? ? C226B .2471(17) .4078(7) .4463(12) .114(16) Uani ? ? C231 .3455(6) .5304(4) .5723(6) .073(7) Uani ? ? C232 .4231(8) .5353(5) .5403(7) .107(9) Uani ? ? C233 .4587(10) .5823(5) .5461(11) .173(15) Uani ? ? C234 .4920(11) .5980(6) .6222(11) .186(15) Uani ? ? C235 .4107(10) .5976(4) .6544(8) .134(11) Uani ? ? C236 .3739(7) .5490(4) .6490(7) .092(8) Uani ? ? H111 .36786 .23700 .86612 .20850 Uiso ? ? H112a .41259 .20912 .76041 .23500 Uiso ? ? H112e .45607 .23825 .82988 .23500 Uiso ? ? H113a .52681 .18274 .88495 .21010 Uiso ? ? H113e .49411 .15587 .81195 .21010 Uiso ? ? H114a .42668 .11226 .85397 .30970 Uiso ? ? H114e .46642 .13652 .92884 .30970 Uiso ? ? H115a .35820 .14920 .93186 .36730 Uiso ? ? H115e .31886 .12068 .86108 .36730 Uiso ? ? H116a .24098 .17620 .80712 .16100 Uiso ? ? H116e .27064 .20217 .88102 .16100 Uiso ? ? H121 .17717 .27233 .83995 .10610 Uiso ? ? H122a .32617 .32795 .90722 .14080 Uiso ? ? H122e .31126 .27948 .93367 .14080 Uiso ? ? H123a .19788 .30587 .97165 .17730 Uiso ? ? H123e .28364 .33475 1.00785 .17730 Uiso ? ? H124a .23073 .39228 .92372 .18370 Uiso ? ? H124e .15704 .38188 .95936 .18370 Uiso ? ? H125a .07664 .34165 .86023 .20020 Uiso ? ? H125e .09628 .38948 .83429 .20020 Uiso ? ? H126a .20508 .36129 .79653 .13960 Uiso ? ? H126e .11862 .33264 .76170 .13960 Uiso ? ? H131 .22246 .23329 .67070 .15800 Uiso ? ? H132a .08025 .25405 .70993 .15570 Uiso ? ? H132e .12701 .20736 .70990 .15570 Uiso ? ? H133a .05533 .19438 .59829 .28890 Uiso ? ? H133e -.01494 .22660 .61398 .28890 Uiso ? ? H134a -.00113 .27303 .54931 .26750 Uiso ? ? H134e .01919 .22970 .51107 .26750 Uiso ? ? H135a .15128 .24867 .52634 .27970 Uiso ? ? H135e .10694 .29651 .52019 .27970 Uiso ? ? H136a .17208 .31259 .63129 .33160 Uiso ? ? H136e .24487 .28139 .61721 .33160 Uiso ? ? H211 .22617 .48362 .64878 .14130 Uiso ? ? H212a .14540 .40798 .56275 .11680 Uiso ? ? H212e .21151 .40460 .64193 .11680 Uiso ? ? H213a .11261 .42348 .69011 .28880 Uiso ? ? H213e .05243 .39795 .62142 .28880 Uiso ? ? H214a -.01743 .45313 .57916 .19040 Uiso ? ? H214e .00192 .46043 .66234 .19040 Uiso ? ? H215a .09008 .51731 .66661 .10970 Uiso ? ? H215e .01822 .52414 .59053 .10970 Uiso ? ? H216a .10997 .50394 .53247 .17840 Uiso ? ? H216e .17085 .53281 .59673 .17840 Uiso ? ? H221A .20135 .43957 .45086 .06430 Uiso ? ? H221B .31762 .45253 .45843 .06430 Uiso ? ? H222AaBe .25633 .51190 .41906 .12350 Uiso ? ? H222AeBa .16470 .49758 .42731 .12350 Uiso ? ? H223Aa .12370 .46026 .32646 .09080 Uiso ? ? H223Ae .17996 .49875 .30673 .09080 Uiso ? ? H223Ba .22708 .48108 .31426 .09080 Uiso ? ? H223Be .12805 .48792 .31214 .09080 Uiso ? ? H224Aa .28459 .45402 .31483 .16040 Uiso ? ? H224Ae .19498 .43397 .26348 .16040 Uiso ? ? H224Ba .11274 .41503 .33194 .17420 Uiso ? ? H224Be .15661 .41772 .27053 .17420 Uiso ? ? H225Aa .18433 .38442 .36394 .08820 Uiso ? ? H225Ae .27341 .37341 .34845 .08820 Uiso ? ? H225Ba .29560 .40475 .35659 .08820 Uiso ? ? H225Be .23068 .36450 .35523 .08820 Uiso ? ? H226Aa .35997 .41698 .45192 .21140 Uiso ? ? H226Ae .29701 .38766 .48179 .21140 Uiso ? ? H226Ba .18966 .39926 .45200 .11060 Uiso ? ? H226Be .29262 .39001 .47853 .11060 Uiso ? ? H231 .29556 .54802 .54272 .09040 Uiso ? ? H232a .47023 .51506 .56590 .13610 Uiso ? ? H232e .40187 .52700 .49012 .13610 Uiso ? ? H233a .41259 .60208 .51949 .22660 Uiso ? ? H233e .50773 .58299 .52765 .22660 Uiso ? ? H234a .53771 .57834 .65048 .22050 Uiso ? ? H234e .51378 .62817 .62412 .22050 Uiso ? ? H235a .36403 .61729 .62688 .15740 Uiso ? ? H235e .43074 .60688 .70400 .15740 Uiso ? ? H236a .41943 .52957 .67967 .10810 Uiso ? ? H236e .32312 .54867 .66650 .10810 Uiso ? ? loop_ _atom_site_aniso_label #ActaC _atom_site_aniso_U_11 #ActaC _atom_site_aniso_U_22 #ActaC _atom_site_aniso_U_33 #ActaC _atom_site_aniso_U_12 #ActaC _atom_site_aniso_U_13 #ActaC _atom_site_aniso_U_23 #ActaC Ag1 .0915(7) .0909(8) .0911(8) -.0214(6) .0231(6) .0057(6) Ag2 .0681(6) .0799(7) .0982(8) .0138(5) .0139(5) .0118(6) I1 .0861(6) .0774(6) .0766(6) .0026(5) .0116(5) -.0086(5) I2 .0599(5) .0766(5) .0737(5) .0031(4) .0202(4) -.0019(4) As1 .0773(8) .0597(8) .0710(8) -.0052(6) .0186(7) .0015(6) C111 .162(14) .130(12) .165(14) .071(11) .123(12) .085(11) C112 .096(12) .072(11) .39(3) .025(9) .066(15) .033(14) C113 .150(15) .171(17) .160(16) .073(13) .012(12) -.046(13) C114 .18(2) .098(15) .43(4) .007(14) -.06(2) .049(18) C115 .42(3) .131(14) .25(2) .167(18) .25(2) .135(15) C116 .160(14) .067(9) .125(12) -.011(9) .044(11) .031(8) C121 .090(9) .076(8) .086(9) .009(7) .020(7) -.005(7) C122 .126(11) .130(12) .078(9) .021(10) .034(8) -.004(9) C123 .172(15) .156(15) .098(11) .040(12) .060(11) -.005(10) C124 .178(16) .140(14) .123(13) .035(12) .076(12) .003(11) C125 .132(13) .116(13) .23(2) .054(11) .102(13) .024(12) C126 .105(11) .129(12) .102(11) .033(9) .025(9) .007(9) C131 .124(12) .155(14) .107(11) -.079(10) .033(9) -.051(10) C132 .136(13) .118(12) .131(13) -.026(10) .025(11) -.005(10) C133 .25(2) .29(3) .22(2) -.20(2) -.119(18) .03(2) C134 .146(17) .38(3) .138(16) -.038(19) -.023(13) -.039(19) C135 .143(15) .43(3) .081(12) -.101(19) -.004(11) -.015(16) C136 .177(19) .68(5) .072(12) -.23(3) -.011(12) .06(2) As2 .0548(7) .0625(8) .0695(8) .0066(6) .0146(6) .0047(6) C211 .070(8) .074(9) .193(14) .004(7) .080(9) .022(9) C212 .068(8) .093(10) .117(11) .002(7) .036(7) .025(8) C213 .116(13) .137(15) .44(3) .044(11) .156(18) .155(18) C214 .100(11) .107(12) .26(2) -.006(9) .093(13) .039(12) C215 .067(8) .073(8) .119(10) .010(6) .031(7) -.008(7) C216 .101(11) .075(10) .250(18) .008(8) .095(12) .007(11) C221 .126(11) .092(10) .084(10) .017(9) -.003(8) -.002(8) C222 .135(12) .088(10) .072(9) .024(8) .027(8) -.003(7) C223 .196(17) .176(16) .068(10) .009(13) .016(10) .008(10) C224A .16(3) .16(3) .075(19) .05(2) .061(19) .017(18) C224B .23(4) .11(2) .08(2) -.06(2) .03(2) -.036(17) C225 .183(17) .126(13) .112(13) .048(12) -.023(11) -.045(10) C226A .16(3) .22(4) .17(3) .13(3) -.07(2) -.12(3) C226B .14(2) .057(16) .077(17) .034(15) -.064(16) .022(13) C231 .057(7) .071(8) .088(8) .004(6) .019(6) .015(7) C232 .084(9) .136(12) .105(10) -.006(9) .038(8) .021(9) C233 .119(13) .143(15) .28(2) -.052(11) .098(15) .040(14) C234 .119(13) .129(14) .28(2) -.069(12) .015(14) .009(15) C235 .127(13) .085(10) .165(15) -.020(9) .010(11) -.008(10) C236 .067(8) .081(9) .110(10) -.005(7) .003(7) -.013(7) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details sfls:_F____sigma_weight_atomblock_matrix _refine_ls_structure_factor_coef F #ActaC _refine_ls_matrix_type atomblock #ActaC _refine_ls_weighting_scheme sigma #ActaC _refine_ls_hydrogen_treatment ? #ActaC _refine_ls_extinction_method Zachariasen #ActaC _refine_ls_extinction_coef 3234(286) #ActaC _refine_ls_extinction_expression Eq22_p292_"Cryst._Comp."_Munksgaard_1970 _refine_ls_abs_structure_details none #ActaC _refine_ls_abs_structure_Flack 0 #ActaC _refine_ls_number_reflns 3736 #ActaC _refine_ls_number_parameters 399 #ActaC _refine_ls_number_restraints 0 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .095 #ActaC _refine_ls_R_factor_obs .046 #ActaC _refine_ls_wR_factor_all .053 #ActaC _refine_ls_wR_factor_obs .045 #ActaC _refine_ls_goodness_of_fit_all 1.417 #ActaC _refine_ls_goodness_of_fit_obs 1.739 #ActaC _refine_ls_shift/esd_max .061 #ActaC _refine_ls_shift/esd_mean .006 #ActaC _refine_diff_density_min -.714 #ActaC _refine_diff_density_max .768 #ActaC _geom_special_details ? #ActaC loop_ _geom_bond_atom_site_label_1 #ActaC _geom_bond_atom_site_label_2 #ActaC _geom_bond_distance #ActaC _geom_bond_site_symmetry_1 #ActaC _geom_bond_site_symmetry_2 #ActaC _geom_bond_publ_flag #ActaC Ag1 I1 2.8967(17) . . ? Ag1 I2 2.9000(15) . . ? Ag1 As1 2.5602(18) . . ? Ag1 I1 2.9329(15) . 2_656 ? Ag2 I1 2.8394(15) . . ? Ag2 I2 3.0503(16) . . ? Ag2 As2 2.5363(14) . . ? Ag2 I2 2.8512(17) . 2_656 ? As1 C111 1.975(14) . . ? As1 C121 1.951(14) . . ? As1 C131 1.981(12) . . ? C111 C112 1.31(2) . . ? C111 C116 1.45(2) . . ? C111 H111 1.109(14) . . ? C112 C113 1.51(2) . . ? C112 H112a .91(2) . . ? C112 H112e .956(14) . . ? C113 C114 1.42(3) . . ? C113 H113a .954(15) . . ? C113 H113e .94(2) . . ? C114 C115 1.28(3) . . ? C114 H114a .96(2) . . ? C114 H114e .93(2) . . ? C115 C116 1.51(2) . . ? C115 H115a .95(2) . . ? C115 H115e .914(17) . . ? C116 H116a .965(12) . . ? C116 H116e .969(16) . . ? C121 C122 1.524(15) . . ? C121 C126 1.529(17) . . ? C121 H121 .959(12) . . ? C122 C123 1.47(2) . . ? C122 H122a .948(15) . . ? C122 H122e .957(13) . . ? C123 C124 1.54(2) . . ? C123 H123a .949(17) . . ? C123 H123e .950(13) . . ? C124 C125 1.50(2) . . ? C124 H124a .945(17) . . ? C124 H124e .952(19) . . ? C125 C126 1.45(2) . . ? C125 H125a .941(16) . . ? C125 H125e .947(14) . . ? C126 H126a .955(15) . . ? C126 H126e .953(12) . . ? C131 C132 1.50(2) . . ? C131 C136 1.23(3) . . ? C131 H131 1.011(15) . . ? C132 C133 1.52(2) . . ? C132 H132a .952(17) . . ? C132 H132e .951(14) . . ? C133 C134 1.27(3) . . ? C133 H133a .95(2) . . ? C133 H133e .96(2) . . ? C134 C135 1.43(3) . . ? C134 H134a .96(2) . . ? C134 H134e .93(2) . . ? C135 C136 1.51(2) . . ? C135 H135a .93(2) . . ? C135 H135e .95(2) . . ? C136 H136a 1.02(3) . . ? C136 H136e .91(2) . . ? As2 C211 1.954(14) . . ? As2 C221 1.956(12) . . ? As2 C231 1.956(10) . . ? C211 C212 1.521(17) . . ? C211 C216 1.378(17) . . ? C211 H211 .952(14) . . ? C212 C213 1.50(3) . . ? C212 H212a .953(12) . . ? C212 H212e .956(10) . . ? C213 C214 1.35(2) . . ? C213 H213a .92(2) . . ? C213 H213e .950(15) . . ? C214 C215 1.480(18) . . ? C214 H214a .950(15) . . ? C214 H214e .95(2) . . ? C215 C216 1.50(2) . . ? C215 H215a .953(12) . . ? C215 H215e .956(10) . . ? C216 H216a .940(16) . . ? C216 H216e .950(12) . . ? C221 C222 1.471(16) . . ? C221 C226A 1.43(4) . . ? C221 C226B 1.34(2) . . ? C221 H221A .950(13) . . ? C221 H221B .953(15) . . ? C222 C223 1.505(18) . . ? C222 H222AaBe .952(13) . . ? C222 H222AeBa .952(15) . . ? C223 C224A 1.29(4) . . ? C223 C224B 1.46(3) . . ? C223 H223Aa .955(17) . . ? C223 H223Ae .961(16) . . ? C223 H223Ba .951(19) . . ? C223 H223Be .963(16) . . ? C224A C224B 1.18(5) . . ? C224A C225 1.65(3) . . ? C224A H223Ba 1.15(3) . . ? C224A H224Aa .95(3) . . ? C224A H224Ae .95(2) . . ? C224A H224Be 1.34(3) . . ? C224B C225 1.48(3) . . ? C224B H223Aa 1.27(3) . . ? C224B H224Ae 1.37(3) . . ? C224B H224Ba .93(4) . . ? C224B H224Be .94(3) . . ? C224B H225Aa 1.40(3) . . ? C225 C226A 1.65(3) . . ? C225 C226B 1.57(3) . . ? C225 H225Aa .943(18) . . ? C225 H225Ae .961(17) . . ? C225 H225Ba .959(18) . . ? C225 H225Be .954(15) . . ? C226A C226B .82(4) . . ? C226A H221B 1.25(4) . . ? C226A H226Aa .94(4) . . ? C226A H226Ae .93(4) . . ? C226A H226Be .86(4) . . ? C226B H221A 1.20(2) . . ? C226B H226Ae 1.04(2) . . ? C226B H226Ba .97(3) . . ? C226B H226Be .94(2) . . ? C231 C232 1.536(19) . . ? C231 C236 1.504(16) . . ? C231 H231 .958(9) . . ? C232 C233 1.48(2) . . ? C232 H232a .953(12) . . ? C232 H232e .950(13) . . ? C233 C234 1.47(3) . . ? C233 H233a .940(15) . . ? C233 H233e .94(2) . . ? C234 C235 1.58(3) . . ? C234 H234a .944(16) . . ? C234 H234e .943(16) . . ? C235 C236 1.528(18) . . ? C235 H235a .949(13) . . ? C235 H235e .948(15) . . ? C236 H236a .955(10) . . ? C236 H236e .959(13) . . ? H223Aa H223Be .8657(2) . . ? H223Ae H223Ba .8745(3) . . ? H223Ae H223Be .9092(3) . . ? H224Ae H224Be .8114(2) . . ? H225Aa H225Be .9867(3) . . ? H225Ae H225Ba .9760(3) . . ? H225Ae H225Be .7675(3) . . ? H226Ae H226Be .10323(2) . . ? loop_ _geom_contact_atom_site_label_1 #ActaC _geom_contact_atom_site_label_2 #ActaC _geom_contact_distance #ActaC _geom_contact_site_symmetry_1 #ActaC _geom_contact_site_symmetry_2 #ActaC _geom_contact_publ_flag #ActaC Ag1 Ag1 3.341(2) . 2_656 ? Ag1 Ag2 3.5509(16) . 2_656 ? Ag1 Ag2 3.2031(16) . . ? Ag1 I2 4.820(2) . 2_656 ? Ag1 C111 3.795(15) . . ? Ag1 C112 3.777(14) . . ? Ag1 C121 3.779(14) . . ? Ag1 C122 4.002(15) . . ? Ag1 C126 4.033(15) . . ? Ag1 C131 3.856(14) . . ? Ag1 C136 3.898(19) . . ? Ag1 H111 3.6811(13) . . ? Ag1 H112a 3.7606(15) . . ? Ag1 H112e 3.1926(13) . . ? Ag1 H122a 3.3625(15) . . ? Ag1 H126a 3.3847(17) . . ? Ag1 H136a 3.7092(15) . . ? Ag1 H136e 3.4615(12) . . ? Ag1 H212e 3.6744(13) . . ? Ag2 Ag2 3.5887(16) . 2_656 ? Ag2 I1 4.9641(16) . 2_656 ? Ag2 C211 3.702(11) . . ? Ag2 C212 3.912(12) . . ? Ag2 C221 3.893(11) . . ? Ag2 C226A 3.86(3) . . ? Ag2 C226B 4.15(2) . . ? Ag2 C231 3.745(10) . . ? Ag2 C232 4.130(14) . . ? Ag2 C236 3.949(12) . . ? Ag2 H211 3.6572(16) . . ? Ag2 H212e 3.3052(18) . . ? Ag2 H221B 3.8124(14) . . ? Ag2 H226Aa 3.7609(16) . . ? Ag2 H226Ae 3.4514(13) . . ? Ag2 H226Be 3.5043(13) . . ? Ag2 H232a 3.5517(13) . . ? Ag2 H236a 3.3364(14) . . ? I1 I1 4.6992(18) . 2_656 ? I1 I2 4.2898(15) . 2_656 ? I1 I2 4.8841(16) . . ? I1 As1 4.398(2) . . ? I1 As1 4.500(2) . 2_656 ? I1 C112 3.975(14) . 2_656 ? I1 C134 4.12(2) . 7_556 ? I1 C135 4.14(2) . 7_556 ? I1 C136 3.95(2) . . ? I1 As2 4.6085(18) . . ? I1 C226A 4.19(3) . . ? I1 C226B 4.44(2) . . ? I1 H112e 3.0251(11) . 2_656 ? I1 H134e 3.3272(12) . 7_556 ? I1 H135a 3.4524(11) . 7_556 ? I1 H136e 3.0876(15) . . ? I1 H226Ae 3.4202(10) . . ? I1 H226Be 3.5205(10) . . ? I2 I2 4.601(2) . 2_656 ? I2 As1 4.764(2) . . ? I2 C126 4.413(14) . . ? I2 As2 4.798(2) . 2_656 ? I2 As2 4.2960(19) . . ? I2 C211 4.112(12) . . ? I2 C212 4.148(10) . . ? I2 C223 4.438(18) . 4_565 ? I2 C224A 4.48(3) . 4_565 ? I2 C236 4.447(12) . . ? I2 H122a 3.9693(12) . . ? I2 H126a 3.4763(13) . . ? I2 H211 3.4871(10) . . ? I2 H212e 3.4461(11) . . ? I2 H222AaBe 3.8764(12) . 4_565 ? I2 H223Ae 3.8219(15) . 4_565 ? I2 H223Ba 3.6082(12) . 4_565 ? I2 H224Aa 3.7286(12) . 4_565 ? I2 H232a 3.7560(10) . 2_656 ? I2 H232e 3.8071(14) . 4_565 ? I2 H236a 3.8119(11) . . ? As1 C112 2.805(14) . . ? As1 C116 2.976(13) . . ? As1 C122 2.857(14) . . ? As1 C126 2.842(15) . . ? As1 C132 2.994(13) . . ? As1 C136 2.798(15) . . ? As1 H111 2.2123(12) . . ? As1 H112a 2.9017(15) . . ? As1 H112e 2.8100(15) . . ? As1 H121 2.4368(16) . . ? As1 H122a 2.8794(14) . . ? As1 H126a 2.8502(14) . . ? As1 H131 2.2933(12) . . ? As1 H136a 2.9134(13) . . ? As1 H136e 2.8610(15) . . ? C111 C113 2.44(2) . . ? C111 C114 2.80(2) . . ? C111 C115 2.47(2) . . ? C111 H112a 1.769(18) . . ? C111 H112e 1.823(15) . . ? C111 H116a 1.974(15) . . ? C111 H116e 2.019(18) . . ? C112 C114 2.49(3) . . ? C112 C115 2.80(3) . . ? C112 C116 2.44(2) . . ? C112 H111 1.75(2) . . ? C112 H113a 2.010(15) . . ? C112 H113e 1.985(15) . . ? C113 C115 2.38(3) . . ? C113 C116 2.88(2) . . ? C113 H112a 1.997(16) . . ? C113 H112e 2.002(17) . . ? C113 H114a 1.904(17) . . ? C113 H114e 1.909(18) . . ? C114 C116 2.46(2) . . ? C114 H113a 1.95(2) . . ? C114 H113e 1.96(3) . . ? C114 H115a 1.74(3) . . ? C114 H115e 1.75(2) . . ? C115 H114a 1.78(2) . . ? C115 H114e 1.80(2) . . ? C115 H116a 2.021(19) . . ? C115 H116e 2.03(2) . . ? C116 H111 1.828(13) . . ? C116 H115a 1.999(12) . . ? C116 H115e 2.000(12) . . ? C121 C123 2.51(2) . . ? C121 C124 2.91(2) . . ? C121 C125 2.50(2) . . ? C121 H122a 2.029(10) . . ? C121 H122e 2.036(10) . . ? C121 H126a 2.037(11) . . ? C121 H126e 2.043(10) . . ? C122 C124 2.44(2) . . ? C122 C125 2.88(2) . . ? C122 C126 2.473(16) . . ? C122 H121 2.062(12) . . ? C122 H123a 2.000(16) . . ? C122 H123e 1.998(14) . . ? C123 C125 2.51(2) . . ? C123 C126 2.896(19) . . ? C123 H122a 1.989(18) . . ? C123 H122e 1.987(17) . . ? C123 H124a 2.043(15) . . ? C123 H124e 2.043(16) . . ? C124 C126 2.43(2) . . ? C124 H123a 2.057(15) . . ? C124 H123e 2.057(14) . . ? C124 H125a 2.004(14) . . ? C124 H125e 1.998(14) . . ? C125 H124a 2.020(14) . . ? C125 H124e 2.016(18) . . ? C125 H126a 1.97(2) . . ? C125 H126e 1.962(18) . . ? C126 H121 2.074(14) . . ? C126 H125a 1.970(16) . . ? C126 H125e 1.973(15) . . ? C131 C133 2.50(2) . . ? C131 C134 2.82(2) . . ? C131 C135 2.43(2) . . ? C131 H132a 1.992(16) . . ? C131 H132e 2.041(15) . . ? C131 H136a 1.744(14) . . ? C131 H136e 1.793(16) . . ? C132 C134 2.46(2) . . ? C132 C135 2.87(2) . . ? C132 C136 2.37(3) . . ? C132 H131 1.872(17) . . ? C132 H133a 1.997(14) . . ? C132 H133e 1.998(13) . . ? C133 C135 2.33(3) . . ? C133 C136 2.73(3) . . ? C133 H132a 2.05(2) . . ? C133 H132e 2.05(2) . . ? C133 H134a 1.80(2) . . ? C133 H134e 1.79(2) . . ? C134 C136 2.46(3) . . ? C134 H133a 1.80(2) . . ? C134 H133e 1.81(2) . . ? C134 H135a 1.94(2) . . ? C134 H135e 1.96(2) . . ? C135 H134a 1.943(18) . . ? C135 H134e 1.93(2) . . ? C135 H136a 1.996(19) . . ? C135 H136e 1.986(15) . . ? C136 H131 1.64(3) . . ? C136 H135a 1.99(2) . . ? C136 H135e 2.042(16) . . ? As2 C212 2.879(13) . . ? As2 C216 2.946(15) . . ? As2 C222 2.957(11) . . ? As2 C226A 2.83(4) . . ? As2 C226B 2.86(2) . . ? As2 C232 2.893(14) . . ? As2 C236 2.856(11) . . ? As2 H211 2.3086(14) . . ? As2 H212e 2.9586(14) . . ? As2 H221A 2.5062(12) . . ? As2 H221B 2.2678(14) . . ? As2 H226Ae 2.8600(13) . . ? As2 H226Be 2.8332(13) . . ? As2 H231 2.4328(13) . . ? As2 H232a 2.9497(16) . . ? As2 H236a 2.9212(12) . . ? As2 H236e 2.9879(13) . . ? C211 C213 2.50(2) . . ? C211 C214 2.88(2) . . ? C211 C215 2.449(18) . . ? C211 H212a 2.045(11) . . ? C211 H212e 2.047(12) . . ? C211 H216a 1.892(11) . . ? C211 H216e 1.893(11) . . ? C212 C214 2.49(2) . . ? C212 C215 2.900(16) . . ? C212 C216 2.478(17) . . ? C212 H211 2.062(11) . . ? C212 H213a 1.974(14) . . ? C212 H213e 1.976(13) . . ? C213 C215 2.40(2) . . ? C213 C216 2.83(2) . . ? C213 H212a 2.04(2) . . ? C213 H212e 2.012(17) . . ? C213 H214a 1.890(15) . . ? C213 H214e 1.87(2) . . ? C214 C216 2.51(2) . . ? C214 H213a 1.839(14) . . ? C214 H213e 1.838(14) . . ? C214 H215a 2.000(14) . . ? C214 H215e 2.001(14) . . ? C215 H211 2.468(11) . . ? C215 H214a 1.984(10) . . ? C215 H214e 1.985(13) . . ? C215 H216a 1.997(14) . . ? C215 H216e 2.000(12) . . ? C216 H211 1.663(13) . . ? C216 H215a 2.018(19) . . ? C216 H215e 2.012(15) . . ? C221 C223 2.499(17) . . ? C221 C224A 2.87(3) . . ? C221 C224B 2.87(3) . . ? C221 C225 2.48(2) . . ? C221 H222AaBe 1.986(13) . . ? C221 H222AeBa 1.985(12) . . ? C221 H226Aa 1.948(14) . . ? C221 H226Ae 1.947(13) . . ? C221 H226Ba 1.860(13) . . ? C221 H226Be 1.861(13) . . ? C222 C224A 2.44(3) . . ? C222 C224B 2.55(3) . . ? C222 C225 2.90(2) . . ? C222 C226A 2.58(4) . . ? C222 C226B 2.42(2) . . ? C222 H221A 1.608(13) . . ? C222 H221B 1.856(12) . . ? C222 H223Aa 2.004(11) . . ? C222 H223Ae 2.005(12) . . ? C222 H223Ba 2.012(13) . . ? C222 H223Be 2.013(10) . . ? C223 C225 2.39(2) . . ? C223 C226A 2.97(3) . . ? C223 C226B 2.77(3) . . ? C223 H221A 2.343(15) . . ? C223 H222AaBe 2.019(14) . . ? C223 H222AeBa 2.021(16) . . ? C223 H224Aa 1.837(19) . . ? C223 H224Ae 1.843(16) . . ? C223 H224Ba 1.986(17) . . ? C223 H224Be 1.989(15) . . ? C224A C226A 2.69(4) . . ? C224A C226B 2.69(4) . . ? C224A H223Aa 1.81(3) . . ? C224A H223Ae 1.82(3) . . ? C224A H223Be 2.06(3) . . ? C224A H224Ba 2.10(3) . . ? C224A H225Aa 2.16(3) . . ? C224A H225Ae 2.16(3) . . ? C224A H225Ba 1.57(3) . . ? C224A H225Be 2.40(3) . . ? C224B C226A 2.75(4) . . ? C224B C226B 2.41(3) . . ? C224B H221A 2.45(3) . . ? C224B H223Ae 2.24(3) . . ? C224B H223Ba 1.98(3) . . ? C224B H223Be 1.95(3) . . ? C224B H224Aa 2.13(4) . . ? C224B H225Ae 2.20(3) . . ? C224B H225Ba 2.04(3) . . ? C224B H225Be 2.03(3) . . ? C225 H221A 2.315(17) . . ? C225 H221B 2.449(14) . . ? C225 H224Aa 2.171(16) . . ? C225 H224Ae 2.171(14) . . ? C225 H224Ba 1.979(16) . . ? C225 H224Be 1.988(13) . . ? C225 H226Aa 2.153(14) . . ? C225 H226Ae 2.148(14) . . ? C225 H226Ba 2.073(18) . . ? C225 H226Be 2.079(14) . . ? C226A H221A 1.77(4) . . ? C226A H225Aa 2.17(3) . . ? C226A H225Ae 2.16(4) . . ? C226A H225Ba 1.79(4) . . ? C226A H225Be 2.26(3) . . ? C226A H226Ba 1.78(4) . . ? C226B H221B 1.68(2) . . ? C226B H225Aa 1.72(2) . . ? C226B H225Ae 2.29(3) . . ? C226B H225Ba 2.10(3) . . ? C226B H225Be 2.12(2) . . ? C226B H226Aa 1.76(3) . . ? C231 C233 2.51(2) . . ? C231 C234 2.949(19) . . ? C231 C235 2.527(17) . . ? C231 H232a 2.046(11) . . ? C231 H232e 2.050(13) . . ? C231 H236a 2.025(10) . . ? C231 H236e 2.031(12) . . ? C232 C234 2.44(2) . . ? C232 C235 2.91(2) . . ? C232 C236 2.49(2) . . ? C232 H231 2.047(13) . . ? C232 H233a 1.992(13) . . ? C232 H233e 1.993(14) . . ? C233 C235 2.48(3) . . ? C233 C236 2.89(3) . . ? C233 H232a 2.004(16) . . ? C233 H232e 1.993(16) . . ? C233 H234a 2.002(18) . . ? C233 H234e 1.996(17) . . ? C234 C236 2.52(2) . . ? C234 H233a 1.980(18) . . ? C234 H233e 1.97(2) . . ? C234 H235a 2.112(18) . . ? C234 H235e 2.11(2) . . ? C235 H234a 2.091(16) . . ? C235 H234e 2.086(16) . . ? C235 H236a 2.046(13) . . ? C235 H236e 2.049(15) . . ? C236 H231 2.026(11) . . ? C236 H235a 2.041(11) . . ? C236 H235e 2.047(11) . . ? H111 H112e 1.7373(6) . . ? H111 H116e 1.9291(6) . . ? H112a H112e 1.5513(3) . . ? H113a H113e 1.5513(4) . . ? H113a H114e 1.9894(4) . . ? H113e H114a 1.9882(4) . . ? H114a H114e 1.5513(4) . . ? H114a H115e 1.7546(7) . . ? H114e H115a 1.7541(7) . . ? H115a H115e 1.5513(4) . . ? H116a H116e 1.5513(4) . . ? H122a H122e 1.5513(4) . . ? H123a H123e 1.5512(5) . . ? H124a H124e 1.5512(5) . . ? H125a H125e 1.5511(4) . . ? H126a H126e 1.5512(5) . . ? H131 H136e 1.8456(4) . . ? H132a H132e 1.5511(4) . . ? H133a H133e 1.5513(4) . . ? H133a H134e 1.9018(5) . . ? H133e H134a 1.9049(4) . . ? H134a H134e 1.5516(3) . . ? H135a H135e 1.5511(4) . . ? H136a H136e 1.5514(4) . . ? H211 H216e 1.8105(4) . . ? H212a H212e 1.5512(4) . . ? H213a H213e 1.5512(3) . . ? H213a H214e 1.9667(6) . . ? H213e H214a 1.9755(5) . . ? H214a H214e 1.5511(5) . . ? H215a H215e 1.5513(4) . . ? H216a H216e 1.5513(3) . . ? H221A H221B 1.8195(8) . . ? H221A H222AeBa 1.8042(5) . . ? H221A H226Ba 1.1957(4) . . ? H221A H226Be 1.9864(5) . . ? H221B H226Aa 1.2621(3) . . ? H221B H226Be 1.9374(5) . . ? H222AaBe H222AeBa 1.5513(6) . . ? H223Aa H223Ae 1.5514(4) . . ? H223Aa H223Ba 1.8145(7) . . ? H223Aa H224Ba 1.3440(4) . . ? H223Aa H224Be 1.8277(4) . . ? H223Ba H223Be 1.5512(7) . . ? H223Ba H224Aa 1.1971(3) . . ? H223Ba H224Ae 1.6740(4) . . ? H224Aa H224Ae 1.5513(5) . . ? H224Aa H225Ba 1.6349(4) . . ? H224Ba H224Be 1.5512(4) . . ? H224Ba H225Aa 1.4138(4) . . ? H224Be H225Aa 1.9727(5) . . ? H225Aa H225Ae 1.5512(6) . . ? H225Aa H225Ba 1.8891(7) . . ? H225Aa H226Ba 1.7313(5) . . ? H225Ba H225Be 1.5512(4) . . ? H225Ba H226Aa 1.8291(5) . . ? H226Aa H226Ae 1.5512(4) . . ? H226Aa H226Be 1.5321(4) . . ? H226Aa H233e 1.9811(9) . 3_666 ? H226Ae H226Ba 1.6290(7) . . ? H226Ba H226Be 1.5514(7) . . ? H232a H232e 1.5515(4) . . ? H233a H233e 1.5514(6) . . ? H234a H234e 1.5515(4) . . ? H235a H235e 1.5513(4) . . ? H236a H236e 1.5513(6) . . ? loop_ _geom_angle_atom_site_label_1 #ActaC _geom_angle_atom_site_label_2 #ActaC _geom_angle_atom_site_label_3 #ActaC _geom_angle #ActaC _geom_angle_site_symmetry_1 #ActaC _geom_angle_site_symmetry_2 #ActaC _geom_angle_site_symmetry_3 #ActaC _geom_angle_publ_flag #ActaC I1 Ag1 I2 114.82(4) . . . ? I1 Ag1 As1 107.25(5) . . . ? I1 Ag1 I1 107.43(5) . . 2_656 ? I2 Ag1 As1 121.38(6) . . . ? I2 Ag1 I1 94.69(3) . . 2_656 ? As1 Ag1 I1 109.83(5) . . 2_656 ? I1 Ag2 I2 112.00(4) . . . ? I1 Ag2 As2 117.91(5) . . . ? I1 Ag2 I2 97.85(4) . . 2_656 ? I2 Ag2 As2 100.12(5) . . . ? I2 Ag2 I2 102.40(4) . . 2_656 ? As2 Ag2 I2 125.78(5) . . 2_656 ? Ag1 I1 Ag2 67.88(4) . . . ? Ag1 I1 Ag1 69.94(4) . . 2_656 ? Ag2 I1 Ag1 75.91(3) . . 2_656 ? Ag1 I2 Ag2 65.08(3) . . . ? Ag1 I2 Ag2 76.25(3) . . 2_656 ? Ag2 I2 Ag2 74.82(4) . . 2_656 ? Ag1 As1 C111 113.0(5) . . . ? Ag1 As1 C121 113.1(3) . . . ? Ag1 As1 C131 115.7(5) . . . ? C111 As1 C121 104.7(6) . . . ? C111 As1 C131 105.0(6) . . . ? C121 As1 C131 104.3(6) . . . ? As1 C111 C112 115.7(12) . . . ? As1 C111 C116 120.1(11) . . . ? As1 C111 H111 86.9(8) . . . ? C112 C111 C116 124.2(13) . . . ? C112 C111 H111 91.9(12) . . . ? C116 C111 H111 90.4(12) . . . ? C111 C112 C113 119.8(17) . . . ? C111 C112 H112a 104.1(14) . . . ? C111 C112 H112e 106.0(16) . . . ? C113 C112 H112a 108.5(15) . . . ? C113 C112 H112e 106.3(13) . . . ? H112a C112 H112e 112(2) . . . ? C112 C113 C114 116.2(16) . . . ? C112 C113 H113a 107.1(14) . . . ? C112 C113 H113e 105.6(16) . . . ? C114 C113 H113a 108.4(17) . . . ? C114 C113 H113e 109.9(17) . . . ? H113a C113 H113e 109.6(18) . . . ? C113 C114 C115 122.8(17) . . . ? C113 C114 H114a 105(2) . . . ? C113 C114 H114e 106.4(17) . . . ? C115 C114 H114a 104.5(17) . . . ? C115 C114 H114e 108(3) . . . ? H114a C114 H114e 110.5(18) . . . ? C114 C115 C116 123(2) . . . ? C114 C115 H115a 101(2) . . . ? C114 C115 H115e 104(2) . . . ? C116 C115 H115a 106.6(17) . . . ? C116 C115 H115e 108.9(17) . . . ? H115a C115 H115e 112(2) . . . ? C111 C116 C115 113.4(15) . . . ? C111 C116 H116a 108.3(13) . . . ? C111 C116 H116e 112.0(12) . . . ? C115 C116 H116a 107.7(12) . . . ? C115 C116 H116e 108.5(14) . . . ? H116a C116 H116e 106.6(15) . . . ? As1 C121 C122 109.9(9) . . . ? As1 C121 C126 108.9(9) . . . ? As1 C121 H121 108.9(9) . . . ? C122 C121 C126 108.2(10) . . . ? C122 C121 H121 110.1(11) . . . ? C126 C121 H121 110.8(11) . . . ? C121 C122 C123 114.1(11) . . . ? C121 C122 H122a 108.1(12) . . . ? C121 C122 H122e 108.1(11) . . . ? C123 C122 H122a 109.1(13) . . . ? C123 C122 H122e 108.3(13) . . . ? H122a C122 H122e 109.1(13) . . . ? C122 C123 C124 108.7(13) . . . ? C122 C123 H123a 110.0(14) . . . ? C122 C123 H123e 109.8(15) . . . ? C124 C123 H123a 109.4(15) . . . ? C124 C123 H123e 109.3(13) . . . ? H123a C123 H123e 109.6(15) . . . ? C123 C124 C125 111.9(12) . . . ? C123 C124 H124a 108.5(14) . . . ? C123 C124 H124e 108.1(14) . . . ? C125 C124 H124a 109.7(15) . . . ? C125 C124 H124e 108.9(15) . . . ? H124a C124 H124e 109.7(15) . . . ? C124 C125 C126 111.2(13) . . . ? C124 C125 H125a 108.5(17) . . . ? C124 C125 H125e 107.6(13) . . . ? C126 C125 H125a 109.5(14) . . . ? C126 C125 H125e 109.4(17) . . . ? H125a C125 H125e 110.6(15) . . . ? C121 C126 C125 114.4(12) . . . ? C121 C126 H126a 107.9(12) . . . ? C121 C126 H126e 108.6(12) . . . ? C125 C126 H126a 108.9(13) . . . ? C125 C126 H126e 108.1(13) . . . ? H126a C126 H126e 108.8(14) . . . ? As1 C131 C132 118.1(10) . . . ? As1 C131 C136 119.6(14) . . . ? As1 C131 H131 94.5(8) . . . ? C132 C131 C136 120.7(14) . . . ? C132 C131 H131 94.5(12) . . . ? C136 C131 H131 93.8(17) . . . ? C131 C132 C133 111.4(15) . . . ? C131 C132 H132a 106.6(13) . . . ? C131 C132 H132e 110.9(13) . . . ? C133 C132 H132a 109.4(14) . . . ? C133 C132 H132e 109.3(14) . . . ? H132a C132 H132e 109.2(16) . . . ? C132 C133 C134 123(2) . . . ? C132 C133 H133a 105.4(16) . . . ? C132 C133 H133e 105(2) . . . ? C134 C133 H133a 107(2) . . . ? C134 C133 H133e 107.5(19) . . . ? H133a C133 H133e 109(2) . . . ? C133 C134 C135 118.9(16) . . . ? C133 C134 H134a 107(2) . . . ? C133 C134 H134e 108(2) . . . ? C135 C134 H134a 106(2) . . . ? C135 C134 H134e 107(2) . . . ? H134a C134 H134e 109.6(16) . . . ? C134 C135 C136 113.2(16) . . . ? C134 C135 H135a 108(2) . . . ? C134 C135 H135e 108.5(16) . . . ? C136 C135 H135a 106.0(16) . . . ? C136 C135 H135e 110(2) . . . ? H135a C135 H135e 110.8(18) . . . ? C131 C136 C135 124(2) . . . ? C131 C136 H136a 101.4(17) . . . ? C131 C136 H136e 112.9(18) . . . ? C135 C136 H136a 102.3(17) . . . ? C135 C136 H136e 107.3(17) . . . ? H136a C136 H136e 106(3) . . . ? Ag2 As2 C211 110.4(4) . . . ? Ag2 As2 C221 119.6(4) . . . ? Ag2 As2 C231 112.3(3) . . . ? C211 As2 C221 104.9(6) . . . ? C211 As2 C231 104.0(5) . . . ? C221 As2 C231 104.2(5) . . . ? As2 C211 C212 111.3(9) . . . ? As2 C211 C216 123.4(11) . . . ? As2 C211 H211 99.4(8) . . . ? C212 C211 C216 117.4(11) . . . ? C212 C211 H211 110.9(13) . . . ? C216 C211 H211 89.2(11) . . . ? C211 C212 C213 111.6(11) . . . ? C211 C212 H212a 109.3(12) . . . ? C211 C212 H212e 109.4(10) . . . ? C213 C212 H212a 110.0(11) . . . ? C213 C212 H212e 107.9(13) . . . ? H212a C212 H212e 108.7(12) . . . ? C212 C213 C214 121.4(17) . . . ? C212 C213 H213a 106.9(13) . . . ? C212 C213 H213e 105.2(18) . . . ? C214 C213 H213a 107(2) . . . ? C214 C213 H213e 104.6(13) . . . ? H213a C213 H213e 112(2) . . . ? C213 C214 C215 115.8(13) . . . ? C213 C214 H214a 109.1(16) . . . ? C213 C214 H214e 107.0(17) . . . ? C215 C214 H214a 107.5(14) . . . ? C215 C214 H214e 107.7(13) . . . ? H214a C214 H214e 109.6(14) . . . ? C214 C215 C216 114.6(11) . . . ? C214 C215 H215a 108.6(12) . . . ? C214 C215 H215e 108.6(10) . . . ? C216 C215 H215a 108.5(10) . . . ? C216 C215 H215e 107.7(12) . . . ? H215a C215 H215e 108.7(11) . . . ? C211 C216 C215 116.4(13) . . . ? C211 C216 H216a 107.9(15) . . . ? C211 C216 H216e 107.4(12) . . . ? C215 C216 H216a 107.4(11) . . . ? C215 C216 H216e 107.1(14) . . . ? H216a C216 H216e 110.4(16) . . . ? As2 C221 C222 118.6(9) . . . ? As2 C221 C226A 112.5(14) . . . ? As2 C221 C226B 119.7(12) . . . ? As2 C221 H221A 114.7(11) . . . ? As2 C221 H221B 96.3(8) . . . ? C222 C221 C226A 126.0(17) . . . ? C222 C221 C226B 118.8(13) . . . ? C222 C221 H221A 80.1(9) . . . ? C222 C221 H221B 97.7(12) . . . ? C226A C221 C226B 34.3(19) . . . ? C226A C221 H221A 94.1(16) . . . ? C226A C221 H221B 59.5(16) . . . ? C226B C221 H221A 60.3(13) . . . ? C226B C221 H221B 93.0(16) . . . ? H221A C221 H221B 146.0(15) . . . ? C221 C222 C223 114.2(11) . . . ? C221 C222 H222AaBe 108.3(10) . . . ? C221 C222 H222AeBa 108.1(12) . . . ? C223 C222 H222AaBe 108.4(13) . . . ? C223 C222 H222AeBa 108.6(11) . . . ? H222AaBe C222 H222AeBa 109.2(12) . . . ? C222 C223 C224A 121.1(15) . . . ? C222 C223 C224B 118.8(15) . . . ? C222 C223 H223Aa 107.0(15) . . . ? C222 C223 H223Ae 106.7(13) . . . ? C222 C223 H223Ba 107.9(13) . . . ? C222 C223 H223Be 107.2(14) . . . ? C224A C223 C224B 50(2) . . . ? C224A C223 H223Aa 106.7(18) . . . ? C224A C223 H223Ae 107(2) . . . ? C224A C223 H223Ba 59.7(17) . . . ? C224A C223 H223Be 131.6(16) . . . ? C224B C223 H223Aa 59.0(16) . . . ? C224B C223 H223Ae 134.5(16) . . . ? C224B C223 H223Ba 108(2) . . . ? C224B C223 H223Be 105.8(17) . . . ? H223Aa C223 H223Ae 108.2(14) . . . ? H223Aa C223 H223Ba 144.4(15) . . . ? H223Aa C223 H223Be 53.7(9) . . . ? H223Ae C223 H223Ba 54.4(9) . . . ? H223Ae C223 H223Be 56.4(8) . . . ? H223Ba C223 H223Be 108.3(14) . . . ? C223 C224A C224B 72(2) . . . ? C223 C224A C225 108(2) . . . ? C223 C224A H223Ba 45.4(14) . . . ? C223 C224A H224Aa 109(3) . . . ? C223 C224A H224Ae 110(2) . . . ? C223 C224A H224Be 98(2) . . . ? C224B C224A C225 61(2) . . . ? C224B C224A H223Ba 116(3) . . . ? C224B C224A H224Aa 170(3) . . . ? C224B C224A H224Ae 79(2) . . . ? C224B C224A H224Be 43.4(16) . . . ? C225 C224A H223Ba 142(2) . . . ? C225 C224A H224Aa 110(2) . . . ? C225 C224A H224Ae 110(2) . . . ? C225 C224A H224Be 82.5(16) . . . ? H223Ba C224A H224Aa 68.5(18) . . . ? H223Ba C224A H224Ae 105(2) . . . ? H223Ba C224A H224Be 122(2) . . . ? H224Aa C224A H224Ae 109(3) . . . ? H224Aa C224A H224Be 144(3) . . . ? H224Ae C224A H224Be 36.6(10) . . . ? C223 C224B C224A 57(2) . . . ? C223 C224B C225 109(2) . . . ? C223 C224B H223Aa 40.3(11) . . . ? C223 C224B H224Ae 81.3(18) . . . ? C223 C224B H224Ba 111(3) . . . ? C223 C224B H224Be 110(2) . . . ? C223 C224B H225Aa 132.3(19) . . . ? C224A C224B C225 76(2) . . . ? C224A C224B H223Aa 95(2) . . . ? C224A C224B H224Ae 42.9(17) . . . ? C224A C224B H224Ba 168(3) . . . ? C224A C224B H224Be 78(3) . . . ? C224A C224B H225Aa 114(3) . . . ? C225 C224B H223Aa 137(2) . . . ? C225 C224B H224Ae 99(2) . . . ? C225 C224B H224Ba 108(2) . . . ? C225 C224B H224Be 108(3) . . . ? C225 C224B H225Aa 38.0(10) . . . ? H223Aa C224B H224Ae 101.8(18) . . . ? H223Aa C224B H224Ba 74(2) . . . ? H223Aa C224B H224Be 111(2) . . . ? H223Aa C224B H225Aa 131(3) . . . ? H224Ae C224B H224Ba 144(2) . . . ? H224Ae C224B H224Be 35.4(13) . . . ? H224Ae C224B H225Aa 126(2) . . . ? H224Ba C224B H224Be 112(3) . . . ? H224Ba C224B H225Aa 71.4(18) . . . ? H224Be C224B H225Aa 113(2) . . . ? C224A C225 C224B 43.8(17) . . . ? C224A C225 C226A 108.9(17) . . . ? C224A C225 C226B 113.5(15) . . . ? C224A C225 H225Aa 110.1(15) . . . ? C224A C225 H225Ae 109.1(18) . . . ? C224A C225 H225Ba 68.0(14) . . . ? C224A C225 H225Be 132.7(15) . . . ? C224B C225 C226A 123(2) . . . ? C224B C225 C226B 104.6(18) . . . ? C224B C225 H225Aa 66.3(16) . . . ? C224B C225 H225Ae 126.6(17) . . . ? C224B C225 H225Ba 111.2(18) . . . ? C224B C225 H225Be 110.7(16) . . . ? C226A C225 C226B 29.3(17) . . . ? C226A C225 H225Aa 111(2) . . . ? C226A C225 H225Ae 108.9(17) . . . ? C226A C225 H225Ba 81.8(16) . . . ? C226A C225 H225Be 117.4(17) . . . ? C226B C225 H225Aa 82.5(15) . . . ? C226B C225 H225Ae 128.3(15) . . . ? C226B C225 H225Ba 110.4(15) . . . ? C226B C225 H225Be 111.7(15) . . . ? H225Aa C225 H225Ae 109.1(14) . . . ? H225Aa C225 H225Ba 166.8(18) . . . ? H225Aa C225 H225Be 62.7(10) . . . ? H225Ae C225 H225Ba 61.1(11) . . . ? H225Ae C225 H225Be 47.2(7) . . . ? H225Ba C225 H225Be 108.3(17) . . . ? C221 C226A C225 107(2) . . . ? C221 C226A C226B 67(3) . . . ? C221 C226A H221B 41.0(13) . . . ? C221 C226A H226Aa 109(3) . . . ? C221 C226A H226Ae 110(3) . . . ? C221 C226A H226Be 106(4) . . . ? C225 C226A C226B 70(3) . . . ? C225 C226A H221B 114(2) . . . ? C225 C226A H226Aa 109(3) . . . ? C225 C226A H226Ae 109(3) . . . ? C225 C226A H226Be 108(3) . . . ? C226B C226A H221B 107(4) . . . ? C226B C226A H226Aa 174(5) . . . ? C226B C226A H226Ae 73(3) . . . ? C226B C226A H226Be 68(3) . . . ? H221B C226A H226Aa 69(2) . . . ? H221B C226A H226Ae 133(3) . . . ? H221B C226A H226Be 133(4) . . . ? H226Aa C226A H226Ae 112(3) . . . ? H226Aa C226A H226Be 117(3) . . . ? H226Ae C226A H226Be 4.8(2) . . . ? C221 C226B C225 116.9(18) . . . ? C221 C226B C226A 79(3) . . . ? C221 C226B H221A 43.6(10) . . . ? C221 C226B H226Ae 109.3(18) . . . ? C221 C226B H226Ba 106(2) . . . ? C221 C226B H226Be 108.6(19) . . . ? C225 C226B C226A 81(3) . . . ? C225 C226B H221A 113.1(16) . . . ? C225 C226B H226Ae 109(2) . . . ? C225 C226B H226Ba 107.0(17) . . . ? C225 C226B H226Be 109(2) . . . ? C226A C226B H221A 122(3) . . . ? C226A C226B H226Ae 58(3) . . . ? C226A C226B H226Ba 166(4) . . . ? C226A C226B H226Be 58(3) . . . ? H221A C226B H226Ae 137(2) . . . ? H221A C226B H226Ba 66.0(16) . . . ? H221A C226B H226Be 137(2) . . . ? H226Ae C226B H226Ba 108(2) . . . ? H226Ae C226B H226Be .82(14) . . . ? H226Ba C226B H226Be 108(2) . . . ? As2 C231 C232 111.3(8) . . . ? As2 C231 C236 110.6(8) . . . ? As2 C231 H231 108.3(7) . . . ? C232 C231 C236 109.9(9) . . . ? C232 C231 H231 108.1(10) . . . ? C236 C231 H231 108.7(10) . . . ? C231 C232 C233 112.6(13) . . . ? C231 C232 H232a 108.3(12) . . . ? C231 C232 H232e 108.8(10) . . . ? C233 C232 H232a 109.3(11) . . . ? C233 C232 H232e 108.5(14) . . . ? H232a C232 H232e 109.2(14) . . . ? C232 C233 C234 111.9(16) . . . ? C232 C233 H233a 109.1(13) . . . ? C232 C233 H233e 108.9(15) . . . ? C234 C233 H233a 108.7(17) . . . ? C234 C233 H233e 107.5(14) . . . ? H233a C233 H233e 111(2) . . . ? C233 C234 C235 108.5(13) . . . ? C233 C234 H234a 110.4(17) . . . ? C233 C234 H234e 109.9(19) . . . ? C235 C234 H234a 108.9(18) . . . ? C235 C234 H234e 108.5(16) . . . ? H234a C234 H234e 110.6(15) . . . ? C234 C235 C236 108.2(12) . . . ? C234 C235 H235a 110.4(15) . . . ? C234 C235 H235e 110.3(13) . . . ? C236 C235 H235a 108.7(11) . . . ? C236 C235 H235e 109.4(13) . . . ? H235a C235 H235e 109.8(15) . . . ? C231 C236 C235 113.0(11) . . . ? C231 C236 H236a 108.9(11) . . . ? C231 C236 H236e 109.1(9) . . . ? C235 C236 H236a 108.8(9) . . . ? C235 C236 H236e 108.8(12) . . . ? H236a C236 H236e 108.3(13) . . . ? C221 H221A C226B 76.1(14) . . . ? C221 H221B C226A 79(2) . . . ? C223 H223Aa C224B 80.8(18) . . . ? C223 H223Aa H223Be 63.7(9) . . . ? C224B H223Aa H223Be 132.1(16) . . . ? C223 H223Ae H223Ba 62.2(11) . . . ? C223 H223Ae H223Be 61.9(11) . . . ? H223Ba H223Ae H223Be 120.83(3) . . . ? C223 H223Ba C224A 75(2) . . . ? C223 H223Ba H223Ae 63.4(9) . . . ? C224A H223Ba H223Ae 126.7(15) . . . ? C223 H223Be H223Aa 62.7(10) . . . ? C223 H223Be H223Ae 61.7(11) . . . ? H223Aa H223Be H223Ae 121.848(8) . . . ? C224A H224Ae C224B 58(2) . . . ? C224A H224Ae H224Be 99(2) . . . ? C224B H224Ae H224Be 42.4(11) . . . ? C224A H224Be C224B 59(2) . . . ? C224A H224Be H224Ae 44.2(13) . . . ? C224B H224Be H224Ae 102(2) . . . ? C224B H225Aa C225 75.6(17) . . . ? C224B H225Aa H225Be 115.0(15) . . . ? C225 H225Aa H225Be 59.2(9) . . . ? C225 H225Ae H225Ba 59.3(10) . . . ? C225 H225Ae H225Be 65.9(10) . . . ? H225Ba H225Ae H225Be 125.250(5) . . . ? C225 H225Ba H225Ae 59.6(9) . . . ? C225 H225Be H225Aa 58.1(11) . . . ? C225 H225Be H225Ae 66.8(11) . . . ? H225Aa H225Be H225Ae 123.86(2) . . . ? C226A H226Ae C226B 49(3) . . . ? C226A H226Ae H226Be 44(2) . . . ? C226B H226Ae H226Be 7.5(12) . . . ? C226A H226Be C226B 54(3) . . . ? C226A H226Be H226Ae 131(2) . . . ? C226B H226Be H226Ae 171.7(14) . . . ? loop_ _geom_torsion_atom_site_label_1 #ActaC _geom_torsion_atom_site_label_2 #ActaC _geom_torsion_atom_site_label_3 #ActaC _geom_torsion_atom_site_label_4 #ActaC _geom_torsion #ActaC _geom_torsion_site_symmetry_1 #ActaC _geom_torsion_site_symmetry_2 #ActaC _geom_torsion_site_symmetry_3 #ActaC _geom_torsion_site_symmetry_4 #ActaC _geom_torsion_publ_flag #ActaC ? ? ? ? ? ? ? ? ? ? _reflns_limit_h_min 0 _reflns_limit_h_max 18 _reflns_limit_k_min 0 _reflns_limit_k_max 34 _reflns_limit_l_min -22 _reflns_limit_l_max 21 _reflns_number_total 7378 #ActaC _reflns_number_observed 3740 #ActaC _reflns_observed_criterion refl_observed_if_F____>_.000_sigma(F___) _reflns_d_resolution_high .842 _reflns_d_resolution_low 14.642 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 4.281 #=END data_ascocn _audit_creation_date 97-11-27 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common 'AgNCO:As(C6H11)3 (1:1) unsolvated' #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum ? #ActaC _chemical_formula_weight ? #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #ActaC _computing_data_reduction xtal_DIFDAT_SORTRF_ADDREF_ABSORB #ActaC _computing_structure_solution xtal #ActaC _computing_structure_refinement xtal_CRYLSQ #ActaC _computing_molecular_graphics xtal #ActaC _computing_publication_material xtal_BONDLA_CIFIO #ActaC _cell_length_a 24.181(4) #ActaC _cell_length_b 24.181(4) #ActaC _cell_length_c 12.615(2) #ActaC _cell_angle_alpha 90.00000 #ActaC _cell_angle_beta 90.00000 #ActaC _cell_angle_gamma 120.0000 #ActaC _cell_volume 6388(2) #ActaC _cell_formula_units_Z 9 #ActaC _cell_measurement_temperature 293 #ActaC _cell_measurement_reflns_used ? #ActaC _cell_measurement_theta_min ? #ActaC _cell_measurement_theta_max ? #ActaC _cell_special_details #ActaC ; ? ; _symmetry_cell_setting trigonal #ActaC _symmetry_space_group_name_H-M r_3:h #ActaC _symmetry_space_group_name_Hall r_3 #ActaC loop_ _symmetry_equiv_pos_as_xyz #ActaC +x,+y,+z -y,+x-y,+z -x+y,-x,+z 2/3+x,1/3+y,1/3+z 1/3+x,2/3+y,2/3+z 2/3-y,1/3+x-y,1/3+z 1/3-y,2/3+x-y,2/3+z 2/3-x+y,1/3-x,1/3+z 1/3-x+y,2/3-x,2/3+z _exptl_crystal_description ? #ActaC _exptl_crystal_preparation ? _exptl_crystal_colour ? #ActaC _exptl_crystal_size_max ? #ActaC _exptl_crystal_size_mid ? #ActaC _exptl_crystal_size_min ? #ActaC _exptl_crystal_density_diffrn 1.479 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 2904 #ActaC _exptl_absorpt_process_details ? _exptl_absorpt_coefficient_mu ? #ActaC _exptl_absorpt_correction_type ? #ActaC _exptl_absorpt_correction_T_min ? #ActaC _exptl_absorpt_correction_T_max ? #ActaC _exptl_special_details #ActaC ; ? ; _diffrn_special_details ; ? ; _diffrn_ambient_temperature 293 #ActaC _diffrn_radiation_wavelength ? #ActaC _diffrn_radiation_type xray_tube #ActaC _diffrn_radiation_source ? #ActaC _diffrn_radiation_monochromator ? #ActaC _diffrn_radiation_detector ? #ActaC _diffrn_measurement_device CAD4 #ActaC _diffrn_measurement_method ? #ActaC _diffrn_standards_number ? #ActaC _diffrn_standards_interval_count ? #ActaC _diffrn_standards_interval_time ? #ActaC _diffrn_standards_decay_% ? #ActaC loop_ _diffrn_standard_refln_index_h #ActaC _diffrn_standard_refln_index_k #ActaC _diffrn_standard_refln_index_l #ActaC ? ? ? loop_ _diffrn_attenuator_code _diffrn_attenuator_scale ? ? _diffrn_reflns_number 3479 #ActaC _diffrn_reflns_av_R_equivalents .041 #ActaC _diffrn_reflns_av_sigmaI/netI .048 #ActaC _diffrn_reflns_limit_h_min 0 #ActaC _diffrn_reflns_limit_h_max 27 #ActaC _diffrn_reflns_limit_k_min 0 #ActaC _diffrn_reflns_limit_k_max 27 #ActaC _diffrn_reflns_limit_l_min -15 #ActaC _diffrn_reflns_limit_l_max 15 #ActaC _diffrn_reflns_theta_min 1.68 #ActaC _diffrn_reflns_theta_max 27.48 #ActaC _diffrn_reflns_reduction_process perpendicular_monochr_Lp #ActaC loop_ _atom_type_symbol #ActaC _atom_type_description #ActaC _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real #ActaC _atom_type_scat_dispersion_imag #ActaC _atom_type_scat_source #ActaC C ? 0 228 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 396 0 0 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Ag ? 0 12 -1.085 1.101 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 As ? 0 12 -.03 2.007 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 N ? 0 12 .004 .003 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 O ? 0 12 .008 .006 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 loop_ _atom_site_label #ActaC _atom_site_fract_x #ActaC _atom_site_fract_y #ActaC _atom_site_fract_z #ActaC _atom_site_U_iso_or_equiv #ActaC _atom_site_thermal_displace_type #ActaC _atom_site_calc_flag #ActaC _atom_site_calc_attached_atom #ActaC Ag1 .33334 .66666 .00000 .0874(15) Uani ? ? Ag2 .42667(8) .71989(8) .21834(19) .1007(11) Uani ? ? N1 .33334 .66666 .325(2) .074(8) Uiso ? ? C1 .316(4) .643(2) .395(2) .07(2) Uiso ? ? O1 .297(6) .619(5) .472(4) .38(7) Uiso ? ? N2 .3790(7) .7616(7) .1098(14) .076(4) Uiso ? ? C2 .4006(10) .8126(9) .0872(17) .094(7) Uiso ? ? O2 .4241(9) .8676(9) .0637(15) .161(7) Uiso ? ? As1 .33333 .66667 -.1949(3) .0667(17) Uani ? ? C11 .3581(10) .7483(10) -.2619(16) .090(7) Uiso ? ? C12 .4108(15) .8039(7) -.195(3) .175(12) Uiso ? ? C13 .4338(16) .8708(7) -.233(3) .185(14) Uiso ? ? C14 .3779(18) .8749(17) -.239(3) .206(15) Uiso ? ? C15 .335(2) .8335(13) -.333(3) .28(2) Uiso ? ? C16 .303(3) .7736(17) -.267(4) .37(3) Uiso ? ? As2 .53988(10) .76294(11) .2593(2) .0810(13) Uani ? ? C211 .5756(11) .8255(12) .3750(17) .112(8) Uiso ? ? C212 .528(2) .825(2) .427(4) .29(2) Uiso ? ? C213 .554(2) .870(2) .538(3) .233(18) Uiso ? ? C214 .616(3) .893(3) .569(4) .31(2) Uiso ? ? C215 .6590(19) .8967(18) .491(3) .215(16) Uiso ? ? C216 .6406(14) .8551(13) .387(2) .149(11) Uiso ? ? C221 .5593(15) .6950(15) .298(3) .174(12) Uiso ? ? C222 .5071(16) .6425(16) .334(3) .186(13) Uiso ? ? C223 .5131(17) .5753(18) .361(3) .195(14) Uiso ? ? C224 .579(2) .600(2) .343(3) .226(17) Uiso ? ? C225 .631(2) .6501(18) .321(3) .217(16) Uiso ? ? C226 .6263(14) .7082(14) .293(2) .156(11) Uiso ? ? C231 .5930(12) .8070(12) .136(2) .123(9) Uiso ? ? C232 .5716(16) .7597(15) .045(2) .161(11) Uiso ? ? C233 .6110(17) .7937(17) -.058(3) .195(14) Uiso ? ? C234 .6078(16) .8533(16) -.075(3) .176(12) Uiso ? ? C235 .6251(17) .8971(17) .009(3) .187(13) Uiso ? ? C236 .5901(14) .8627(14) .108(2) .145(11) Uiso ? ? H1 .36985 .74176 -.33102 .11450 Uiso ? ? H12a .39539 .79971 -.12569 .20930 Uiso ? ? H12e .44746 .79810 -.19527 .20930 Uiso ? ? H13a .45177 .87769 -.30118 .23600 Uiso ? ? H13e .46291 .90093 -.18441 .23600 Uiso ? ? H14a .35505 .85751 -.17110 .25050 Uiso ? ? H14e .38853 .91724 -.24352 .25050 Uiso ? ? H15a .35878 .83241 -.39027 .34660 Uiso ? ? H15e .30587 .84677 -.35444 .34660 Uiso ? ? H16a .29263 .77950 -.19964 .43870 Uiso ? ? H16e .26603 .74097 -.30372 .43870 Uiso ? ? H211 .57714 .86145 .33080 .15340 Uiso ? ? H212a .50629 .77937 .46183 .36430 Uiso ? ? H212e .49882 .82781 .39141 .36430 Uiso ? ? H213a .56638 .91745 .50938 .28950 Uiso ? ? H213e .52749 .86376 .59088 .28950 Uiso ? ? H214a .60365 .84084 .59888 .46720 Uiso ? ? H214e .62988 .91219 .62656 .46720 Uiso ? ? H215a .66991 .94073 .46880 .25750 Uiso ? ? H215e .69563 .90031 .52236 .25750 Uiso ? ? H216a .65170 .82205 .39587 .19260 Uiso ? ? H216e .66341 .87981 .32624 .19260 Uiso ? ? H221 .55246 .68108 .22482 .22020 Uiso ? ? H222a .49297 .65200 .39478 .23930 Uiso ? ? H222e .47469 .62846 .27885 .23930 Uiso ? ? H223a .48896 .54002 .31337 .24930 Uiso ? ? H223e .50078 .56014 .43167 .24930 Uiso ? ? H224a .59299 .59328 .41325 .29610 Uiso ? ? H224e .58099 .57124 .29586 .29610 Uiso ? ? H225a .64830 .63960 .25784 .27010 Uiso ? ? H225e .66190 .65995 .37589 .27010 Uiso ? ? H226a .65046 .73988 .34693 .19790 Uiso ? ? H226e .64429 .72356 .22704 .19790 Uiso ? ? H231 .63714 .82106 .15401 .14780 Uiso ? ? H232a .52755 .74481 .03202 .19570 Uiso ? ? H232e .57747 .72511 .06239 .19570 Uiso ? ? H233a .65387 .80463 -.04736 .24150 Uiso ? ? H233e .59325 .76502 -.11578 .24150 Uiso ? ? H234a .56310 .83908 -.09390 .22810 Uiso ? ? H234e .63264 .87371 -.13625 .22810 Uiso ? ? H235a .67004 .91538 .02063 .23470 Uiso ? ? H235e .61559 .92918 -.00703 .23470 Uiso ? ? H236a .54585 .84779 .09676 .18370 Uiso ? ? H236e .60567 .89053 .16502 .18370 Uiso ? ? loop_ _atom_site_aniso_label #ActaC _atom_site_aniso_U_11 #ActaC _atom_site_aniso_U_22 #ActaC _atom_site_aniso_U_33 #ActaC _atom_site_aniso_U_12 #ActaC _atom_site_aniso_U_13 #ActaC _atom_site_aniso_U_23 #ActaC Ag1 .0989(14) .0989(14) .0643(17) .0495(7) .00000 .00000 Ag2 .0633(11) .0921(14) .1412(15) .0346(11) -.0105(11) -.0141(12) As1 .0684(15) .0684(15) .063(2) .0342(7) .00000 .00000 As2 .0617(14) .0842(16) .0980(15) .0371(13) -.0041(13) -.0032(13) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details sfls:_F____sigma_weight_atomblock_matrix _refine_ls_structure_factor_coef F #ActaC _refine_ls_matrix_type atomblock #ActaC _refine_ls_weighting_scheme sigma #ActaC _refine_ls_hydrogen_treatment ? #ActaC _refine_ls_extinction_method Zachariasen #ActaC _refine_ls_extinction_coef 1526(782) #ActaC _refine_ls_extinction_expression Eq22_p292_"Cryst._Comp."_Munksgaard_1970 _refine_ls_abs_structure_details none #ActaC _refine_ls_abs_structure_Flack 0 #ActaC _refine_ls_number_reflns 1352 #ActaC _refine_ls_number_parameters 144 #ActaC _refine_ls_number_restraints 3 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .129 #ActaC _refine_ls_R_factor_obs .058 #ActaC _refine_ls_wR_factor_all .069 #ActaC _refine_ls_wR_factor_obs .058 #ActaC _refine_ls_goodness_of_fit_all 1.784 #ActaC _refine_ls_goodness_of_fit_obs 2.387 #ActaC _refine_ls_shift/esd_max .06 #ActaC _refine_ls_shift/esd_mean .008 #ActaC _refine_diff_density_min -.436 #ActaC _refine_diff_density_max .549 #ActaC _geom_special_details ? #ActaC loop_ _geom_bond_atom_site_label_1 #ActaC _geom_bond_atom_site_label_2 #ActaC _geom_bond_distance #ActaC _geom_bond_site_symmetry_1 #ActaC _geom_bond_site_symmetry_2 #ActaC _geom_bond_publ_flag #ActaC Ag1 N2 2.423(15) . . ? Ag1 As1 2.458(3) . . ? Ag1 N2 2.423(15) . 2_665 ? Ag1 N2 2.42(3) . 3_565 ? Ag2 N1 2.377(14) . . ? Ag2 N2 2.319(19) . . ? Ag2 As2 2.448(3) . . ? Ag2 N2 2.486(15) . 3_565 ? N1 C1 1.02(4) . . ? N1 C1 1.02(5) . 2_665 ? N1 C1 1.02(7) . 3_565 ? C1 O1 1.11(7) . . ? C1 C1 .89(9) . 2_665 ? C1 O1 1.69(11) . 2_665 ? C1 C1 .89(11) . 3_565 ? C1 O1 1.69(17) . 3_565 ? N2 C2 1.11(3) . . ? C2 O2 1.19(3) . . ? As1 C11 1.95(2) . . ? As1 C11 1.95(2) . 2_665 ? As1 C11 1.95(5) . 3_565 ? C11 C12 1.56(3) . . ? C11 C16 1.71(8) . . ? C11 H1 .95(2) . . ? C12 C13 1.50(3) . . ? C12 H12a .93(3) . . ? C12 H12e .96(4) . . ? C13 C14 1.41(6) . . ? C13 H13a .94(3) . . ? C13 H13e .95(3) . . ? C14 C15 1.57(5) . . ? C14 H14a .99(4) . . ? C14 H14e .92(4) . . ? C15 C16 1.51(5) . . ? C15 H15a .93(4) . . ? C15 H15e .95(5) . . ? C16 H16a .92(6) . . ? C16 H16e .97(5) . . ? As2 C211 1.96(2) . . ? As2 C221 1.98(4) . . ? As2 C231 1.96(2) . . ? C211 C212 1.33(7) . . ? C211 C216 1.37(4) . . ? C211 H211 1.02(3) . . ? C212 C213 1.68(6) . . ? C212 H212a 1.06(5) . . ? C212 H212e .86(6) . . ? C213 C214 1.38(8) . . ? C213 H213a 1.09(5) . . ? C213 H213e .88(4) . . ? C214 C215 1.39(8) . . ? C214 H214a 1.21(7) . . ? C214 H214e .84(5) . . ? C215 C216 1.57(5) . . ? C215 H215a 1.00(4) . . ? C215 H215e .94(5) . . ? C216 H216a .97(4) . . ? C216 H216e .96(3) . . ? C221 C222 1.35(4) . . ? C221 C226 1.49(5) . . ? C221 H221 .97(3) . . ? C222 C223 1.74(7) . . ? C222 H222a .91(4) . . ? C222 H222e .97(3) . . ? C223 C224 1.42(6) . . ? C223 H223a .97(3) . . ? C223 H223e .95(3) . . ? C224 C225 1.27(5) . . ? C224 H224a .98(4) . . ? C224 H224e .93(5) . . ? C225 C226 1.50(6) . . ? C225 H225a .99(5) . . ? C225 H225e .96(4) . . ? C226 H226a .97(3) . . ? C226 H226e .93(3) . . ? C231 C232 1.52(4) . . ? C231 C236 1.43(5) . . ? C231 H231 .97(3) . . ? C232 C233 1.58(4) . . ? C232 H232a .95(4) . . ? C232 H232e .94(4) . . ? C233 C234 1.50(6) . . ? C233 H233a .94(4) . . ? C233 H233e .95(3) . . ? C234 C235 1.41(5) . . ? C234 H234a .99(4) . . ? C234 H234e .95(3) . . ? C235 C236 1.50(4) . . ? C235 H235a .96(4) . . ? C235 H235e .93(5) . . ? C236 H236a .95(3) . . ? C236 H236e .93(3) . . ? loop_ _geom_contact_atom_site_label_1 #ActaC _geom_contact_atom_site_label_2 #ActaC _geom_contact_distance #ActaC _geom_contact_site_symmetry_1 #ActaC _geom_contact_site_symmetry_2 #ActaC _geom_contact_publ_flag #ActaC ? ? ? ? ? ? loop_ _geom_angle_atom_site_label_1 #ActaC _geom_angle_atom_site_label_2 #ActaC _geom_angle_atom_site_label_3 #ActaC _geom_angle #ActaC _geom_angle_site_symmetry_1 #ActaC _geom_angle_site_symmetry_2 #ActaC _geom_angle_site_symmetry_3 #ActaC _geom_angle_publ_flag #ActaC N2 Ag1 As1 124.9(4) . . . ? N2 Ag1 N2 90.5(7) . . 2_665 ? N2 Ag1 N2 90.5(6) . . 3_565 ? As1 Ag1 N2 124.9(4) . . 2_665 ? As1 Ag1 N2 124.9(5) . . 3_565 ? N2 Ag1 N2 90.5(9) 2_665 . 3_565 ? N1 Ag2 N2 91.5(5) . . . ? N1 Ag2 As2 131.9(5) . . . ? N1 Ag2 N2 87.4(6) . . 3_565 ? N2 Ag2 As2 129.2(3) . . . ? N2 Ag2 N2 91.5(7) . . 3_565 ? As2 Ag2 N2 112.1(8) . . 3_565 ? Ag2 N1 C1 144(5) . . . ? Ag2 N1 Ag2 91.2(7) . . 2_665 ? Ag2 N1 C1 96(3) . . 2_665 ? Ag2 N1 Ag2 91.2(7) . . 3_565 ? Ag2 N1 C1 124(5) . . 3_565 ? C1 N1 Ag2 124(5) . . 2_665 ? C1 N1 C1 52(5) . . 2_665 ? C1 N1 Ag2 96(3) . . 3_565 ? C1 N1 C1 52(6) . . 3_565 ? Ag2 N1 C1 144(8) 2_665 . 2_665 ? Ag2 N1 Ag2 91.2(7) 2_665 . 3_565 ? Ag2 N1 C1 96(8) 2_665 . 3_565 ? C1 N1 Ag2 124(8) 2_665 . 3_565 ? C1 N1 C1 52(10) 2_665 . 3_565 ? Ag2 N1 C1 144(4) 3_565 . 3_565 ? N1 C1 O1 179(7) . . . ? N1 C1 C1 64(4) . . 2_665 ? N1 C1 O1 101(6) . . 2_665 ? N1 C1 C1 64(4) . . 3_565 ? N1 C1 O1 101(5) . . 3_565 ? O1 C1 C1 115(8) . . 2_665 ? O1 C1 O1 78(8) . . 2_665 ? O1 C1 C1 115(8) . . 3_565 ? O1 C1 O1 78(7) . . 3_565 ? C1 C1 O1 37(5) 2_665 . 2_665 ? C1 C1 C1 60(14) 2_665 . 3_565 ? C1 C1 O1 75(11) 2_665 . 3_565 ? O1 C1 C1 75(12) 2_665 . 3_565 ? O1 C1 O1 65(12) 2_665 . 3_565 ? C1 C1 O1 36(5) 3_565 . 3_565 ? C1 O1 C1 29(5) . . 2_665 ? C1 O1 C1 29(5) . . 3_565 ? C1 O1 C1 31(7) 2_665 . 3_565 ? Ag1 N2 Ag2 90.9(6) . . . ? Ag1 N2 C2 130.1(16) . . . ? Ag1 N2 Ag2 87.1(4) . . 2_665 ? Ag2 N2 C2 125.1(16) . . . ? Ag2 N2 Ag2 89.9(5) . . 2_665 ? C2 N2 Ag2 121.7(19) . . 2_665 ? N2 C2 O2 179(2) . . . ? Ag1 As1 C11 115.8(6) . . . ? Ag1 As1 C11 115.7(6) . . 2_665 ? Ag1 As1 C11 115.7(8) . . 3_565 ? C11 As1 C11 102.5(14) . . 2_665 ? C11 As1 C11 102.5(10) . . 3_565 ? C11 As1 C11 102.5(14) 2_665 . 3_565 ? As1 C11 C12 110.1(16) . . . ? As1 C11 C16 118.5(17) . . . ? As1 C11 H1 101.3(19) . . . ? C12 C11 C16 99(2) . . . ? C12 C11 H1 117(2) . . . ? C16 C11 H1 112(3) . . . ? C11 C12 C13 117(3) . . . ? C11 C12 H12a 108(2) . . . ? C11 C12 H12e 107(2) . . . ? C13 C12 H12a 109(2) . . . ? C13 C12 H12e 106(2) . . . ? H12a C12 H12e 110(3) . . . ? C12 C13 C14 104(3) . . . ? C12 C13 H13a 112(3) . . . ? C12 C13 H13e 111(3) . . . ? C14 C13 H13a 109(3) . . . ? C14 C13 H13e 110(3) . . . ? H13a C13 H13e 111(3) . . . ? C13 C14 C15 110(4) . . . ? C13 C14 H14a 106(4) . . . ? C13 C14 H14e 110(3) . . . ? C15 C14 H14a 110(3) . . . ? C15 C14 H14e 113(4) . . . ? H14a C14 H14e 108(4) . . . ? C14 C15 C16 93(3) . . . ? C14 C15 H15a 113(4) . . . ? C14 C15 H15e 111(4) . . . ? C16 C15 H15a 115(4) . . . ? C16 C15 H15e 112(4) . . . ? H15a C15 H15e 111(4) . . . ? C11 C16 C15 104(4) . . . ? C11 C16 H16a 111(5) . . . ? C11 C16 H16e 107(4) . . . ? C15 C16 H16a 114(4) . . . ? C15 C16 H16e 110(5) . . . ? H16a C16 H16e 110(5) . . . ? Ag2 As2 C211 116.8(9) . . . ? Ag2 As2 C221 112.2(8) . . . ? Ag2 As2 C231 110.8(8) . . . ? C211 As2 C221 105.1(13) . . . ? C211 As2 C231 104.7(9) . . . ? C221 As2 C231 106.4(14) . . . ? As2 C211 C212 109(2) . . . ? As2 C211 C216 116(2) . . . ? As2 C211 H211 93.7(14) . . . ? C212 C211 C216 135(3) . . . ? C212 C211 H211 86(3) . . . ? C216 C211 H211 94(2) . . . ? C211 C212 C213 111(4) . . . ? C211 C212 H212a 100(5) . . . ? C211 C212 H212e 118(5) . . . ? C213 C212 H212a 100(4) . . . ? C213 C212 H212e 117(6) . . . ? H212a C212 H212e 108(4) . . . ? C212 C213 C214 118(5) . . . ? C212 C213 H213a 103(3) . . . ? C212 C213 H213e 120(3) . . . ? C214 C213 H213a 90(4) . . . ? C214 C213 H213e 114(4) . . . ? H213a C213 H213e 103(5) . . . ? C213 C214 C215 117(4) . . . ? C213 C214 H214a 91(4) . . . ? C213 C214 H214e 121(7) . . . ? C215 C214 H214a 95(5) . . . ? C215 C214 H214e 121(6) . . . ? H214a C214 H214e 97(5) . . . ? C214 C215 C216 126(3) . . . ? C214 C215 H215a 93(5) . . . ? C214 C215 H215e 110(4) . . . ? C216 C215 H215a 107(3) . . . ? C216 C215 H215e 111(4) . . . ? H215a C215 H215e 107(3) . . . ? C211 C216 C215 108(3) . . . ? C211 C216 H216a 108(2) . . . ? C211 C216 H216e 112(3) . . . ? C215 C216 H216a 109(3) . . . ? C215 C216 H216e 112(2) . . . ? H216a C216 H216e 107(3) . . . ? As2 C221 C222 111(3) . . . ? As2 C221 C226 120(2) . . . ? As2 C221 H221 89(3) . . . ? C222 C221 C226 129(4) . . . ? C222 C221 H221 94(2) . . . ? C226 C221 H221 91(3) . . . ? C221 C222 C223 118(4) . . . ? C221 C222 H222a 110(3) . . . ? C221 C222 H222e 107(3) . . . ? C223 C222 H222a 107(3) . . . ? C223 C222 H222e 104(3) . . . ? H222a C222 H222e 110(4) . . . ? C222 C223 C224 101(3) . . . ? C222 C223 H223a 114(4) . . . ? C222 C223 H223e 113(4) . . . ? C224 C223 H223a 109(4) . . . ? C224 C223 H223e 113(4) . . . ? H223a C223 H223e 108(3) . . . ? C223 C224 C225 143(6) . . . ? C223 C224 H224a 101(3) . . . ? C223 C224 H224e 105(3) . . . ? C225 C224 H224a 96(3) . . . ? C225 C224 H224e 101(4) . . . ? H224a C224 H224e 109(5) . . . ? C224 C225 C226 117(5) . . . ? C224 C225 H225a 106(4) . . . ? C224 C225 H225e 111(4) . . . ? C226 C225 H225a 107(3) . . . ? C226 C225 H225e 111(3) . . . ? H225a C225 H225e 105(5) . . . ? C221 C226 C225 112(3) . . . ? C221 C226 H226a 107(3) . . . ? C221 C226 H226e 112(3) . . . ? C225 C226 H226a 106(3) . . . ? C225 C226 H226e 110(4) . . . ? H226a C226 H226e 110(2) . . . ? As2 C231 C232 107.9(16) . . . ? As2 C231 C236 113(2) . . . ? As2 C231 H231 108.4(19) . . . ? C232 C231 C236 111(2) . . . ? C232 C231 H231 110(3) . . . ? C236 C231 H231 107(2) . . . ? C231 C232 C233 110(2) . . . ? C231 C232 H232a 108(4) . . . ? C231 C232 H232e 110(3) . . . ? C233 C232 H232a 109(3) . . . ? C233 C232 H232e 109(4) . . . ? H232a C232 H232e 110(3) . . . ? C232 C233 C234 108(3) . . . ? C232 C233 H233a 109(3) . . . ? C232 C233 H233e 109(3) . . . ? C234 C233 H233a 109(3) . . . ? C234 C233 H233e 112(4) . . . ? H233a C233 H233e 110(5) . . . ? C233 C234 C235 118(3) . . . ? C233 C234 H234a 106(3) . . . ? C233 C234 H234e 107(4) . . . ? C235 C234 H234a 107(4) . . . ? C235 C234 H234e 110(3) . . . ? H234a C234 H234e 107(4) . . . ? C234 C235 C236 110(3) . . . ? C234 C235 H235a 108(4) . . . ? C234 C235 H235e 111(4) . . . ? C236 C235 H235a 109(3) . . . ? C236 C235 H235e 110(4) . . . ? H235a C235 H235e 110(3) . . . ? C231 C236 C235 117(3) . . . ? C231 C236 H236a 105(2) . . . ? C231 C236 H236e 107(3) . . . ? C235 C236 H236a 108(3) . . . ? C235 C236 H236e 109(2) . . . ? H236a C236 H236e 111(4) . . . ? loop_ _geom_torsion_atom_site_label_1 #ActaC _geom_torsion_atom_site_label_2 #ActaC _geom_torsion_atom_site_label_3 #ActaC _geom_torsion_atom_site_label_4 #ActaC _geom_torsion #ActaC _geom_torsion_site_symmetry_1 #ActaC _geom_torsion_site_symmetry_2 #ActaC _geom_torsion_site_symmetry_3 #ActaC _geom_torsion_site_symmetry_4 #ActaC _geom_torsion_publ_flag #ActaC ? ? ? ? ? ? ? ? ? ? _reflns_limit_h_min 0 _reflns_limit_h_max 26 _reflns_limit_k_min 0 _reflns_limit_k_max 27 _reflns_limit_l_min -15 _reflns_limit_l_max 15 _reflns_number_total 3254 #ActaC _reflns_number_observed 1352 #ActaC _reflns_observed_criterion refl_observed_if_F____>_.000_sigma(F___) _reflns_d_resolution_high .77 _reflns_d_resolution_low 12.061 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 6.5441 #=END data_cnoacy _audit_creation_date 98-05-19 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common 'AgNCO:As(C6H11)3:pyridine (1:1:1/2)' #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety C76_H132_Ag4_As4_N4_O4.2C5H5N #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum C86_H142_Ag4_As4_N6_O4 #ActaC _chemical_formula_weight 2055.3 #ActaC _chemical_melting_point ? #ActaC _computing_data_collection 'ENRAF-NONIUS software' #ActaC _computing_cell_refinement 'ENRAF-NONIUS software' #ActaC _computing_data_reduction xtal #ActaC _computing_structure_solution xtal #ActaC _computing_structure_refinement xtal #ActaC _computing_molecular_graphics xtal #ActaC _computing_publication_material xtal_BONDLA_CIFIO #ActaC _cell_length_a 27.536(9) #ActaC _cell_length_b 14.667(7) #ActaC _cell_length_c 24.009(8) #ActaC _cell_angle_alpha 90.00000 #ActaC _cell_angle_beta 106.51(3) #ActaC _cell_angle_gamma 90.00000 #ActaC _cell_volume 9297(6) #ActaC _cell_formula_units_Z 4 #ActaC _cell_measurement_temperature 293 #ActaC _cell_measurement_reflns_used ? #ActaC _cell_measurement_theta_min ? #ActaC _cell_measurement_theta_max ? #ActaC _cell_special_details #ActaC ; ? ; _symmetry_cell_setting monoclinic #ActaC _symmetry_space_group_name_H-M c_1_2/c_1 #ActaC _symmetry_space_group_name_Hall -c_2yc #ActaC loop_ _symmetry_equiv_pos_as_xyz #ActaC +x,+y,+z -x,+y,1/2-z -x,-y,-z +x,-y,1/2+z 1/2+x,1/2+y,+z 1/2-x,1/2+y,1/2-z 1/2-x,1/2-y,-z 1/2+x,1/2-y,1/2+z _exptl_crystal_description ? #ActaC _exptl_crystal_preparation ? _exptl_crystal_colour ? #ActaC _exptl_crystal_size_max 0.44 #ActaC _exptl_crystal_size_mid 0.32 #ActaC _exptl_crystal_size_min 0.07 #ActaC _exptl_crystal_density_diffrn 1.468 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 4208 #ActaC _exptl_absorpt_process_details ? _exptl_absorpt_coefficient_mu 2.29 #ActaC _exptl_absorpt_correction_type gaussian #ActaC _exptl_absorpt_correction_T_min 0.433 #ActaC _exptl_absorpt_correction_T_max 0.851 #ActaC _exptl_special_details #ActaC ; ? ; _diffrn_special_details ; ? ; _diffrn_ambient_temperature 293 #ActaC _diffrn_radiation_wavelength 0.71073 #ActaC _diffrn_radiation_type Mo-K\a #ActaC _diffrn_radiation_source 'sealed tube' #ActaC _diffrn_radiation_monochromator graphite #ActaC _diffrn_radiation_detector 'single crystal' #ActaC _diffrn_measurement_device CAD4 #ActaC _diffrn_measurement_method 2theta/theta #ActaC _diffrn_standards_number ? #ActaC _diffrn_standards_interval_count ? #ActaC _diffrn_standards_interval_time 3600 #ActaC _diffrn_standards_decay_% 0 #ActaC loop_ _diffrn_standard_refln_index_h #ActaC _diffrn_standard_refln_index_k #ActaC _diffrn_standard_refln_index_l #ActaC ? ? ? loop_ _diffrn_attenuator_code _diffrn_attenuator_scale 1 19.14 _diffrn_reflns_number 7841 #ActaC _diffrn_reflns_av_R_equivalents 0 #ActaC _diffrn_reflns_av_sigmaI/netI 0 #ActaC _diffrn_reflns_limit_h_min 0 #ActaC _diffrn_reflns_limit_h_max 32 #ActaC _diffrn_reflns_limit_k_min 0 #ActaC _diffrn_reflns_limit_k_max 16 #ActaC _diffrn_reflns_limit_l_min -27 #ActaC _diffrn_reflns_limit_l_max 27 #ActaC _diffrn_reflns_theta_min 0 #ActaC _diffrn_reflns_theta_max 25.0 #ActaC _diffrn_reflns_reduction_process ? #ActaC loop_ _atom_type_symbol #ActaC _atom_type_description #ActaC _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real #ActaC _atom_type_scat_dispersion_imag #ActaC _atom_type_scat_source #ActaC C ? 0 344 .002 .002 Int_Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 568 0 0 Int_Tables_Vol_IV_Tables_2.2B_and_2.3.1 N ? 0 24 .004 .003 Int_Tables_Vol_IV_Tables_2.2B_and_2.3.1 O ? 0 16 .008 .006 Int_Tables_Vol_IV_Tables_2.2B_and_2.3.1 Ag ? 0 16 -1.085 1.101 Int_Tables_Vol_IV_Tables_2.2B_and_2.3.1 As ? 0 16 -.03 2.007 Int_Tables_Vol_IV_Tables_2.2B_and_2.3.1 loop_ _atom_site_label #ActaC _atom_site_fract_x #ActaC _atom_site_fract_y #ActaC _atom_site_fract_z #ActaC _atom_site_U_iso_or_equiv #ActaC _atom_site_thermal_displace_type #ActaC _atom_site_calc_flag #ActaC _atom_site_calc_attached_atom #ActaC Ag1 .49016(5) .58161(8) .67358(5) .0822(9) Uani ? ? Ag2 .56388(5) .41959(8) .75433(5) .0754(9) Uani ? ? N1 .5646(5) .5825(8) .7595(5) .054(8) Uani ? ? C1 .5885(6) .6162(10) .7626(7) .038(5) Uiso ? ? O1 .6298(6) .6714(9) .7645(6) .153(11) Uani ? ? N2 .4868(5) .4212(9) .6752(6) .068(9) Uani ? ? C2 .4799(7) .3794(11) .6377(9) .063(12) Uani ? ? O2 .4715(5) .3336(10) .5925(5) .133(11) Uani ? ? As1 .47357(7) .69453(10) .59457(7) .0676(11) Uani ? ? C111 .5331(8) .7409(13) .5743(8) .108(15) Uani ? ? C112 .5774(10) .7414(16) .6243(10) .15(2) Uani ? ? C113 .6268(9) .7656(18) .6101(12) .16(2) Uani ? ? C114 .6206(11) .8510(18) .5760(15) .17(2) Uani ? ? C115 .5756(11) .8486(15) .5231(10) .15(2) Uani ? ? C116 .5272(7) .8200(14) .5373(8) .121(16) Uani ? ? C121 .4401(11) .8000(14) .6162(9) .19(2) Uani ? ? C122 .4529(12) .8210(14) .6697(10) .23(2) Uani ? ? C123 .4213(10) .8941(15) .6940(10) .15(2) Uani ? ? C124 .3941(14) .9531(18) .6521(14) .21(3) Uani ? ? C125 .3835(16) .937(2) .5997(13) .40(4) Uani ? ? C126 .4151(9) .8649(15) .5742(9) .151(19) Uani ? ? C131 .4281(7) .6519(10) .5205(7) .074(11) Uani ? ? C132 .3802(9) .6138(15) .5313(9) .143(18) Uani ? ? C133 .3453(8) .573(2) .4742(11) .17(2) Uani ? ? C134 .3714(11) .5006(15) .4507(10) .14(2) Uani ? ? C135 .4165(10) .5412(13) .4389(9) .113(16) Uani ? ? C136 .4532(7) .5832(12) .4941(8) .094(12) Uani ? ? As2 .63621(6) .31788(10) .75874(7) .0638(10) Uani ? ? C211 .6718(6) .2813(11) .8387(7) .084(12) Uani ? ? C212 .6422(7) .3024(13) .8791(8) .114(14) Uani ? ? C213 .6707(7) .2814(15) .9420(8) .118(16) Uani ? ? C214 .6886(9) .1863(17) .9486(9) .14(2) Uani ? ? C215 .7216(8) .1630(13) .9103(10) .131(16) Uani ? ? C216 .6950(7) .1859(12) .8470(8) .102(13) Uani ? ? C221 .6900(7) .3703(12) .7302(7) .081(12) Uani ? ? C222 .6994(8) .4651(13) .7491(10) .150(18) Uani ? ? C223 .7394(8) .5132(11) .7270(9) .119(15) Uani ? ? C224 .7874(8) .4592(16) .7401(10) .141(19) Uani ? ? C225 .7774(8) .3653(17) .7165(11) .16(2) Uani ? ? C226 .7376(7) .3170(10) .7393(7) .089(12) Uani ? ? C231 .6171(6) .2045(10) .7152(7) .072(11) Uani ? ? C232 .5709(7) .1636(11) .7273(7) .093(13) Uani ? ? C233 .5519(7) .0763(12) .6913(9) .128(15) Uani ? ? C234 .5418(10) .0951(13) .6261(9) .143(17) Uani ? ? C235 .5890(9) .1333(14) .6142(8) .127(17) Uani ? ? C236 .6082(7) .2204(11) .6508(8) .100(14) Uani ? ? C11 .7190(13) .579(5) .893(2) .23(4) Uani ? ? C12 .730(2) .660(5) .883(2) .28(6) Uani ? ? C13 .756(2) .701(3) .923(3) .34(5) Uani ? ? C14 .788(3) .651(3) .959(2) .42(6) Uani ? ? C15 .7951(17) .567(5) .944(2) .31(6) Uani ? ? C16 .753(3) .530(3) .939(3) .34(7) Uani ? ? H111 .53595 .69844 .54486 .12910 Uiso ? ? H112a .57146 .78212 .65063 .18640 Uiso ? ? H112e .58057 .68055 .63860 .18640 Uiso ? ? H113a .63565 .71848 .58829 .20180 Uiso ? ? H113e .65185 .77422 .64552 .20180 Uiso ? ? H114a .61648 .89890 .60092 .22020 Uiso ? ? H114e .64993 .85912 .56458 .22020 Uiso ? ? H115a .58158 .80718 .49630 .21190 Uiso ? ? H115e .57062 .90831 .50733 .21190 Uiso ? ? H116a .51699 .86977 .55729 .16280 Uiso ? ? H116e .50228 .80919 .50206 .16280 Uiso ? ? H121 .41190 .76517 .61917 .20350 Uiso ? ? H122a .48538 .84287 .67877 .30660 Uiso ? ? H122e .45013 .76496 .68746 .30660 Uiso ? ? H123a .39562 .85916 .70637 .21300 Uiso ? ? H123e .44269 .92223 .72513 .21300 Uiso ? ? H124a .41703 1.00662 .66103 .31760 Uiso ? ? H124e .36512 .96600 .66146 .31760 Uiso ? ? H125a .35169 .92299 .58990 .46460 Uiso ? ? H125e .39144 .99514 .58491 .46460 Uiso ? ? H126a .43649 .89552 .55662 .18180 Uiso ? ? H126e .38899 .83354 .54471 .18180 Uiso ? ? H131 .41967 .70212 .49371 .09730 Uiso ? ? H132a .38932 .56924 .56049 .17240 Uiso ? ? H132e .36250 .66230 .54320 .17240 Uiso ? ? H133a .33453 .61807 .44667 .20620 Uiso ? ? H133e .31769 .54376 .48327 .20620 Uiso ? ? H134a .38128 .45210 .47616 .16060 Uiso ? ? H134e .34998 .48065 .41413 .16060 Uiso ? ? H135a .40728 .58881 .41148 .14860 Uiso ? ? H135e .43498 .49590 .42558 .14860 Uiso ? ? H136a .46536 .53628 .52289 .11930 Uiso ? ? H136e .48159 .61034 .48564 .11930 Uiso ? ? H211 .70151 .31853 .84747 .10300 Uiso ? ? H212a .61223 .26663 .86834 .14170 Uiso ? ? H212e .63352 .36521 .87516 .14170 Uiso ? ? H213a .69873 .32278 .95388 .14900 Uiso ? ? H213e .64849 .29209 .96530 .14900 Uiso ? ? H214a .66009 .14841 .93932 .18360 Uiso ? ? H214e .70802 .17855 .98748 .18360 Uiso ? ? H215a .75211 .19450 .92247 .16240 Uiso ? ? H215e .72743 .09853 .91332 .16240 Uiso ? ? H216a .66896 .14231 .83204 .12710 Uiso ? ? H216e .71958 .18115 .82587 .12710 Uiso ? ? H221 .67573 .36774 .68891 .11080 Uiso ? ? H222a .70930 .46585 .78925 .19780 Uiso ? ? H222e .66867 .49749 .73352 .19780 Uiso ? ? H223a .72767 .52445 .68717 .15480 Uiso ? ? H223e .74769 .56981 .74775 .15480 Uiso ? ? H224a .80281 .45795 .77970 .18140 Uiso ? ? H224e .80897 .48733 .72001 .18140 Uiso ? ? H225a .76720 .36578 .67683 .20540 Uiso ? ? H225e .80832 .33160 .73139 .20540 Uiso ? ? H226a .75012 .30478 .77949 .11000 Uiso ? ? H226e .72883 .26060 .71872 .11000 Uiso ? ? H231 .64416 .16127 .72798 .09200 Uiso ? ? H232a .54433 .20761 .71771 .11820 Uiso ? ? H232e .57842 .14875 .76725 .11820 Uiso ? ? H233a .57662 .03010 .70333 .15750 Uiso ? ? H233e .52110 .05711 .69847 .15750 Uiso ? ? H234a .51523 .13728 .61345 .16380 Uiso ? ? H234e .53340 .03937 .60527 .16380 Uiso ? ? H235a .61505 .08861 .62393 .15980 Uiso ? ? H235e .58160 .14835 .57442 .15980 Uiso ? ? H236a .58373 .26744 .63888 .12800 Uiso ? ? H236e .63923 .23947 .64440 .12800 Uiso ? ? H11 .68869 .54132 .87725 .32100 Uiso ? ? H12 .71009 .67907 .84626 .30600 Uiso ? ? H13 .75203 .76757 .92144 .38000 Uiso ? ? H14 .80285 .68254 .99546 .44300 Uiso ? ? H15 .82618 .56083 .95114 .40300 Uiso ? ? H16 .75708 .46663 .95118 .42000 Uiso ? ? loop_ _atom_site_aniso_label #ActaC _atom_site_aniso_U_11 #ActaC _atom_site_aniso_U_22 #ActaC _atom_site_aniso_U_33 #ActaC _atom_site_aniso_U_12 #ActaC _atom_site_aniso_U_13 #ActaC _atom_site_aniso_U_23 #ActaC Ag1 .0818(11) .0729(9) .0869(11) .0014(9) .0157(8) .0228(8) Ag2 .0665(10) .0672(9) .0942(11) .0114(8) .0258(8) .0065(8) N1 .053(10) .041(8) .069(9) -.013(8) .021(8) .008(7) O1 .146(13) .148(12) .160(13) .002(11) .034(11) .009(10) N2 .049(10) .059(10) .087(12) -.003(8) .007(9) -.009(9) C2 .052(12) .049(13) .084(17) -.008(10) .015(14) -.011(10) O2 .120(12) .180(14) .112(12) -.048(10) .052(10) -.062(10) As1 .0804(14) .0562(11) .0689(12) .0108(10) .0254(11) .0044(10) C111 .107(18) .132(17) .078(15) -.054(15) .014(14) .021(13) C112 .10(2) .21(2) .13(2) -.019(19) .041(18) .020(18) C113 .10(2) .16(2) .22(3) -.03(2) .04(2) -.01(2) C114 .14(3) .14(2) .24(3) -.06(2) .08(2) -.06(2) C115 .18(3) .16(2) .15(2) -.08(2) .09(2) .001(18) C116 .116(19) .140(18) .122(17) -.043(15) .055(15) .031(15) C121 .38(4) .112(18) .054(14) .14(2) .04(2) .003(14) C122 .42(4) .13(2) .107(19) .18(2) .03(2) -.037(17) C123 .22(3) .11(2) .12(2) .003(18) .04(2) -.055(16) C124 .34(4) .15(3) .18(3) .13(3) .15(3) .02(2) C125 .59(6) .36(4) .15(3) .42(5) -.06(3) -.11(3) C126 .20(3) .126(18) .13(2) .044(17) .05(2) -.006(16) C131 .093(15) .066(11) .070(12) .023(11) .038(12) .020(9) C132 .100(19) .17(2) .15(2) -.005(17) .030(18) -.062(17) C133 .090(19) .22(3) .18(3) -.06(2) .023(17) -.06(2) C134 .17(3) .12(2) .12(2) -.029(19) .005(18) -.038(16) C135 .16(2) .083(14) .113(18) .013(14) .059(18) -.015(13) C136 .112(16) .076(12) .108(15) -.012(13) .051(14) -.021(12) As2 .0609(12) .0532(10) .0798(13) .0049(10) .0241(11) .0055(10) C211 .072(13) .081(13) .093(14) .017(10) .013(12) -.003(11) C212 .119(17) .157(18) .072(14) .068(15) .035(14) .027(14) C213 .120(18) .15(2) .078(15) .059(15) .020(13) .004(14) C214 .16(2) .18(2) .109(18) .040(19) .077(17) .042(17) C215 .13(2) .133(18) .102(17) .029(15) -.014(16) -.000(15) C216 .115(17) .088(14) .099(15) .026(13) .025(14) .012(12) C221 .085(15) .060(11) .109(14) .005(11) .045(12) .008(10) C222 .13(2) .082(15) .28(3) -.037(13) .12(2) .018(17) C223 .087(16) .070(13) .22(2) -.029(12) .082(17) -.004(14) C224 .090(19) .14(2) .21(2) -.030(16) .067(18) -.012(18) C225 .11(2) .13(2) .27(3) -.007(17) .14(2) -.01(2) C226 .082(16) .065(12) .110(15) .011(12) .011(13) -.003(11) C231 .086(14) .063(11) .073(13) -.004(10) .029(11) .019(9) C232 .110(16) .088(14) .082(13) -.022(12) .031(12) .010(11) C233 .16(2) .077(14) .136(19) -.046(14) .018(16) -.020(14) C234 .21(3) .092(16) .080(16) -.050(17) -.029(18) -.007(13) C235 .19(3) .090(16) .097(17) -.008(16) .032(18) -.017(13) C236 .115(17) .087(14) .100(16) -.016(12) .030(14) -.013(12) C11 .25(4) .28(5) .17(4) -.07(5) .07(4) -.09(4) C12 .30(7) .38(9) .13(3) -.10(5) .01(3) .10(4) C13 .23(5) .21(4) .45(8) -.02(4) -.11(5) .13(5) C14 .30(6) .19(5) .55(8) .04(4) -.23(6) -.02(5) C15 .14(4) .37(9) .41(6) .13(5) .05(4) -.04(6) C16 .39(9) .27(6) .39(8) .18(7) .18(8) .20(6) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details ? _refine_ls_structure_factor_coef F #ActaC _refine_ls_matrix_type atomblock #ActaC _refine_ls_weighting_scheme sigma #ActaC _refine_ls_hydrogen_treatment noref #ActaC _refine_ls_extinction_method Zachariasen #ActaC _refine_ls_extinction_coef 4381(709) #ActaC _refine_ls_extinction_expression Eq22_p292_"Cryst._Comp."_Munksgaard_1970 _refine_ls_abs_structure_details none #ActaC _refine_ls_abs_structure_Flack 0 #ActaC _refine_ls_number_reflns 3506 #ActaC _refine_ls_number_parameters 465 #ActaC _refine_ls_number_restraints 0 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .168 #ActaC _refine_ls_R_factor_obs .050 #ActaC _refine_ls_wR_factor_all .062 #ActaC _refine_ls_wR_factor_obs .042 #ActaC _refine_ls_goodness_of_fit_all 1.514 #ActaC _refine_ls_goodness_of_fit_obs 1.185 #ActaC _refine_ls_shift/esd_max .026 #ActaC _refine_ls_shift/esd_mean .002 #ActaC _refine_diff_density_min -.351 #ActaC _refine_diff_density_max .462 #ActaC _geom_special_details ? #ActaC loop_ _geom_bond_atom_site_label_1 #ActaC _geom_bond_atom_site_label_2 #ActaC _geom_bond_distance #ActaC _geom_bond_site_symmetry_1 #ActaC _geom_bond_site_symmetry_2 #ActaC _geom_bond_publ_flag #ActaC Ag1 N1 2.462(11) . . ? Ag1 N2 2.355(13) . . ? Ag1 As1 2.461(2) . . ? Ag1 N1 2.496(14) . 2_656 ? Ag2 N1 2.393(11) . . ? Ag2 N2 2.414(12) . . ? Ag2 As2 2.466(2) . . ? Ag2 N2 2.480(16) . 2_656 ? N1 C1 .81(2) . . ? C1 O1 1.39(2) . . ? N2 C2 1.06(2) . . ? C2 O2 1.24(2) . . ? As1 C111 1.96(2) . . ? As1 C121 1.95(3) . . ? As1 C131 1.962(14) . . ? C111 C112 1.45(3) . . ? C111 C116 1.44(3) . . ? C111 H111 .96(2) . . ? C112 C113 1.54(4) . . ? C112 H112a .92(3) . . ? C112 H112e .95(2) . . ? C113 C114 1.48(4) . . ? C113 H113a .94(3) . . ? C113 H113e .94(2) . . ? C114 C115 1.50(4) . . ? C114 H114a .95(3) . . ? C114 H114e .93(3) . . ? C115 C116 1.52(4) . . ? C115 H115a .93(3) . . ? C115 H115e .95(2) . . ? C116 H116a .96(2) . . ? C116 H116e .938(17) . . ? C121 C122 1.27(3) . . ? C121 C126 1.42(3) . . ? C121 H121 .95(3) . . ? C122 C123 1.59(4) . . ? C122 H122a .92(3) . . ? C122 H122e .94(2) . . ? C123 C124 1.38(4) . . ? C123 H123a .98(3) . . ? C123 H123e .91(2) . . ? C124 C125 1.23(4) . . ? C124 H124a .99(3) . . ? C124 H124e .91(4) . . ? C125 C126 1.59(5) . . ? C125 H125a .86(4) . . ? C125 H125e .98(4) . . ? C126 H126a .93(3) . . ? C126 H126e .97(2) . . ? C131 C132 1.52(3) . . ? C131 C136 1.47(3) . . ? C131 H131 .962(14) . . ? C132 C133 1.55(3) . . ? C132 H132a .94(2) . . ? C132 H132e .95(2) . . ? C133 C134 1.48(4) . . ? C133 H133a .93(3) . . ? C133 H133e .95(3) . . ? C134 C135 1.47(4) . . ? C134 H134a .93(2) . . ? C134 H134e .95(2) . . ? C135 C136 1.55(3) . . ? C135 H135a .94(2) . . ? C135 H135e .95(2) . . ? C136 H136a .965(17) . . ? C136 H136e .95(2) . . ? As2 C211 1.966(15) . . ? As2 C221 1.96(2) . . ? As2 C231 1.956(14) . . ? C211 C212 1.47(3) . . ? C211 C216 1.53(2) . . ? C211 H211 .956(16) . . ? C212 C213 1.52(2) . . ? C212 H212a .949(19) . . ? C212 H212e .949(19) . . ? C213 C214 1.47(3) . . ? C213 H213a .96(2) . . ? C213 H213e .95(2) . . ? C214 C215 1.51(4) . . ? C214 H214a .94(2) . . ? C214 H214e .941(19) . . ? C215 C216 1.52(3) . . ? C215 H215a .93(2) . . ? C215 H215e .96(2) . . ? C216 H216a .952(17) . . ? C216 H216e .96(2) . . ? C221 C222 1.46(3) . . ? C221 C226 1.49(3) . . ? C221 H221 .957(15) . . ? C222 C223 1.52(3) . . ? C222 H222a .93(2) . . ? C222 H222e .95(2) . . ? C223 C224 1.50(3) . . ? C223 H223a .93(2) . . ? C223 H223e .961(17) . . ? C224 C225 1.48(3) . . ? C224 H224a .93(2) . . ? C224 H224e .96(3) . . ? C225 C226 1.53(3) . . ? C225 H225a .91(3) . . ? C225 H225e .96(2) . . ? C226 H226a .945(16) . . ? C226 H226e .958(15) . . ? C231 C232 1.51(3) . . ? C231 C236 1.51(3) . . ? C231 H231 .960(15) . . ? C232 C233 1.55(2) . . ? C232 H232a .953(17) . . ? C232 H232e .947(16) . . ? C233 C234 1.54(3) . . ? C233 H233a .945(18) . . ? C233 H233e .95(2) . . ? C234 C235 1.52(4) . . ? C234 H234a .94(2) . . ? C234 H234e .95(2) . . ? C235 C236 1.55(3) . . ? C235 H235a .95(2) . . ? C235 H235e .95(2) . . ? C236 H236a .950(17) . . ? C236 H236e .95(2) . . ? C11 C12 1.27(10) . . ? C11 C16 1.41(8) . . ? C11 H11 .98(5) . . ? C12 C13 1.19(7) . . ? C12 H12 .94(5) . . ? C13 C14 1.27(7) . . ? C13 H13 .98(4) . . ? C14 C15 1.31(9) . . ? C14 H14 .98(5) . . ? C15 C16 1.26(10) . . ? C15 H15 .83(5) . . ? C16 H16 .97(5) . . ? loop_ _geom_contact_atom_site_label_1 #ActaC _geom_contact_atom_site_label_2 #ActaC _geom_contact_distance #ActaC _geom_contact_site_symmetry_1 #ActaC _geom_contact_site_symmetry_2 #ActaC _geom_contact_publ_flag #ActaC Ag1 Ag1 3.554(2) . 2_656 ? Ag1 Ag2 3.3600(18) . . ? Ag1 Ag2 3.510(2) . 2_656 ? Ag1 C1 2.978(15) . . ? Ag1 C1 3.03(2) . 2_656 ? Ag1 O1 4.064(14) . . ? Ag1 O1 4.200(16) . 2_656 ? Ag1 C2 3.080(16) . . ? Ag1 O2 4.089(14) . . ? Ag1 C111 3.76(2) . . ? Ag1 C112 3.78(3) . . ? Ag1 C121 3.60(2) . . ? Ag1 C122 3.65(2) . . ? Ag1 C131 3.730(14) . . ? Ag1 C132 3.90(2) . . ? Ag1 C136 4.14(2) . . ? Ag1 H112e 3.1933(16) . . ? Ag1 H121 3.4639(16) . . ? Ag1 H122e 2.9608(17) . . ? Ag1 H132a 3.2909(14) . . ? Ag1 H136a 3.5487(17) . . ? Ag2 Ag2 3.465(2) . 2_656 ? Ag2 C1 2.956(15) . . ? Ag2 O1 4.092(13) . . ? Ag2 C2 3.21(2) . 2_656 ? Ag2 C2 3.140(17) . . ? Ag2 O2 4.253(14) . 2_656 ? Ag2 O2 4.188(12) . . ? Ag2 C211 3.691(15) . . ? Ag2 C212 3.592(17) . . ? Ag2 C221 3.75(2) . . ? Ag2 C222 3.83(2) . . ? Ag2 C231 3.711(15) . . ? Ag2 C232 3.824(16) . . ? Ag2 C236 4.23(2) . . ? Ag2 H212a 3.4967(15) . . ? Ag2 H212e 3.0931(14) . . ? Ag2 H222e 3.2712(17) . . ? Ag2 H232a 3.2342(18) . . ? N1 O1 2.19(2) . . ? C1 C112 3.73(3) . . ? C1 C122 3.74(3) . 2_656 ? C1 C222 3.86(3) . . ? C1 H112e 3.071(17) . . ? C1 H122e 2.837(17) . 2_656 ? C1 H222e 3.045(18) . . ? O1 C112 3.42(3) . . ? O1 C113 3.94(3) . . ? O1 C122 3.81(3) . 2_656 ? O1 C123 3.80(3) . 2_656 ? O1 C222 3.66(2) . . ? O1 C223 4.10(3) . . ? O1 C225 3.76(3) . 6_656 ? O1 C11 3.62(5) . . ? O1 C12 3.35(5) . . ? O1 H112a 3.194(12) . . ? O1 H112e 2.944(13) . . ? O1 H113e 3.435(15) . . ? O1 H122e 3.081(16) . 2_656 ? O1 H123a 2.972(13) . 2_656 ? O1 H222e 2.943(14) . . ? O1 H225e 2.888(14) . 6_656 ? O1 H11 3.332(12) . . ? O1 H12 2.507(13) . . ? N2 O2 2.301(19) . . ? C2 C135 3.98(3) . 3_666 ? C2 C212 3.46(3) . 2_656 ? C2 H212a 2.997(18) . 2_656 ? C2 H212e 3.057(19) . 2_656 ? C2 H236a 3.290(18) . . ? O2 C111 4.12(2) . 3_666 ? O2 C115 3.80(3) . 3_666 ? O2 C116 3.85(2) . 3_666 ? O2 C135 3.85(3) . 3_666 ? O2 C136 3.55(3) . 3_666 ? O2 C212 3.42(3) . 2_656 ? O2 C213 3.84(2) . 2_656 ? O2 C234 3.97(2) . . ? O2 C236 3.99(2) . . ? O2 H111 3.280(13) . 3_666 ? O2 H115a 3.029(13) . 3_666 ? O2 H116e 3.316(14) . 3_666 ? O2 H136a 3.392(14) . . ? O2 H136e 2.692(15) . 3_666 ? O2 H212a 2.896(15) . 2_656 ? O2 H212e 3.232(15) . 2_656 ? O2 H213e 3.256(13) . 2_656 ? O2 H234a 3.106(14) . . ? O2 H236a 3.127(13) . . ? As1 C112 2.83(3) . . ? As1 C113 4.26(3) . . ? As1 C116 2.94(2) . . ? As1 C122 2.76(3) . . ? As1 C123 4.28(3) . . ? As1 C126 2.94(2) . . ? As1 C132 2.85(2) . . ? As1 C133 4.27(2) . . ? As1 C135 4.26(2) . . ? As1 C136 2.834(18) . . ? As1 H111 2.354(2) . . ? As1 H112a 2.9438(18) . . ? As1 H112e 2.841(2) . . ? As1 H116a 3.073(2) . . ? As1 H116e 3.063(2) . . ? As1 H121 2.208(2) . . ? As1 H122a 2.9245(18) . . ? As1 H122e 2.697(2) . . ? As1 H126a 3.168(2) . . ? As1 H126e 3.0708(18) . . ? As1 H131 2.4569(17) . . ? As1 H132a 2.8895(19) . . ? As1 H132e 2.992(2) . . ? As1 H136a 2.8599(18) . . ? As1 H136e 2.957(2) . . ? C111 C113 2.51(3) . . ? C111 C114 2.89(4) . . ? C111 C115 2.49(4) . . ? C111 C121 3.13(4) . . ? C111 C122 3.79(4) . . ? C111 C126 3.72(3) . . ? C111 C131 3.10(3) . . ? C111 C136 3.39(2) . . ? C111 H112a 1.935(18) . . ? C111 H112e 1.932(18) . . ? C111 H113a 2.77(2) . . ? C111 H113e 3.27(2) . . ? C111 H114a 3.20(2) . . ? C111 H115a 2.77(2) . . ? C111 H115e 3.26(2) . . ? C111 H116a 1.96(2) . . ? C111 H116e 1.973(19) . . ? C111 H131 3.222(19) . . ? C111 H136e 2.913(19) . . ? C112 C114 2.48(4) . . ? C112 C115 2.88(4) . . ? C112 C116 2.44(3) . . ? C112 C121 3.83(4) . . ? C112 H111 2.02(2) . . ? C112 H113a 2.06(3) . . ? C112 H113e 2.03(3) . . ? C112 H114a 2.68(3) . . ? C112 H114e 3.27(3) . . ? C112 H115a 3.26(3) . . ? C112 H116a 2.72(2) . . ? C112 H116e 3.23(2) . . ? C113 C115 2.48(3) . . ? C113 C116 2.91(3) . . ? C113 H111 2.73(2) . . ? C113 H112a 2.04(3) . . ? C113 H112e 2.04(3) . . ? C113 H114a 1.98(3) . . ? C113 H114e 1.97(3) . . ? C113 H115a 2.73(3) . . ? C113 H115e 3.27(3) . . ? C114 C116 2.51(3) . . ? C114 H111 3.16(3) . . ? C114 H112a 2.73(4) . . ? C114 H112e 3.26(3) . . ? C114 H113a 1.99(3) . . ? C114 H113e 1.99(3) . . ? C114 H115a 2.01(3) . . ? C114 H115e 2.01(3) . . ? C114 H116a 2.77(3) . . ? C114 H116e 3.29(3) . . ? C115 H111 2.58(3) . . ? C115 H112a 3.25(3) . . ? C115 H113a 2.71(2) . . ? C115 H113e 3.28(2) . . ? C115 H114a 2.03(2) . . ? C115 H114e 2.01(3) . . ? C115 H116a 2.03(3) . . ? C115 H116e 2.02(3) . . ? C116 C121 3.47(4) . . ? C116 C126 3.51(3) . . ? C116 C131 3.61(3) . . ? C116 H111 1.80(2) . . ? C116 H112a 2.705(18) . . ? C116 H112e 3.199(18) . . ? C116 H113a 3.249(19) . . ? C116 H114a 2.754(18) . . ? C116 H115a 2.02(2) . . ? C116 H115e 2.03(2) . . ? C116 H126a 2.89(2) . . ? C121 C123 2.49(4) . . ? C121 C124 2.83(4) . . ? C121 C125 2.50(4) . . ? C121 C131 3.11(3) . . ? C121 C132 3.53(3) . . ? C121 H116a 3.04(3) . . ? C121 H122a 1.77(2) . . ? C121 H122e 1.73(2) . . ? C121 H123a 2.91(3) . . ? C121 H123e 3.15(2) . . ? C121 H125a 2.95(3) . . ? C121 H125e 3.16(2) . . ? C121 H126a 1.98(2) . . ? C121 H126e 1.95(2) . . ? C121 H131 3.18(2) . . ? C121 H132e 3.10(2) . . ? C122 C122 3.99(3) . 2_656 ? C122 C124 2.48(4) . . ? C122 C125 2.74(4) . . ? C122 C126 2.32(3) . . ? C122 H121 1.62(2) . . ? C122 H123a 2.09(3) . . ? C122 H123e 2.07(2) . . ? C122 H124a 2.88(2) . . ? C122 H124e 3.18(3) . . ? C122 H125a 3.26(3) . . ? C122 H126a 2.84(2) . . ? C122 H126e 3.02(2) . . ? C123 C125 2.29(4) . . ? C123 C126 2.86(3) . . ? C123 C233 3.76(3) . 2_666 ? C123 H121 2.57(2) . . ? C123 H122a 2.04(3) . . ? C123 H122e 2.08(2) . . ? C123 H124a 1.82(2) . . ? C123 H124e 1.85(2) . . ? C123 H125a 2.72(2) . . ? C123 H125e 2.92(2) . . ? C123 H233a 3.16(2) . 2_666 ? C124 C126 2.47(4) . . ? C124 H121 2.95(3) . . ? C124 H122a 2.90(3) . . ? C124 H122e 3.16(3) . . ? C124 H123a 1.89(3) . . ? C124 H123e 1.93(3) . . ? C124 H125a 1.67(3) . . ? C124 H125e 1.71(3) . . ? C124 H126a 2.98(4) . . ? C124 H126e 3.09(3) . . ? C124 H224e 3.25(4) . 5_455 ? C125 C14 3.87(6) . 8_464 ? C125 C15 3.83(6) . 8_464 ? C125 H121 2.64(3) . . ? C125 H122a 3.22(4) . . ? C125 H123a 2.73(3) . . ? C125 H123e 3.00(3) . . ? C125 H124a 1.82(3) . . ? C125 H124e 1.75(4) . . ? C125 H126a 2.10(4) . . ? C125 H126e 2.04(3) . . ? C126 C131 3.44(3) . . ? C126 C132 3.87(3) . . ? C126 C14 3.81(6) . 8_464 ? C126 C15 3.97(5) . 8_464 ? C126 H116a 2.95(3) . . ? C126 H121 1.84(2) . . ? C126 H122a 2.718(19) . . ? C126 H122e 3.00(2) . . ? C126 H124a 2.93(2) . . ? C126 H124e 3.18(2) . . ? C126 H125a 2.07(3) . . ? C126 H125e 2.06(2) . . ? C126 H131 3.10(2) . . ? C126 H132e 3.30(2) . . ? C126 H14 3.21(2) . 8_464 ? C131 C133 2.52(3) . . ? C131 C134 2.95(3) . . ? C131 C135 2.49(3) . . ? C131 H111 2.94(2) . . ? C131 H116e 3.194(18) . . ? C131 H121 3.028(17) . . ? C131 H126e 2.992(16) . . ? C131 H132a 2.029(18) . . ? C131 H132e 2.04(2) . . ? C131 H133a 2.727(16) . . ? C131 H134a 3.257(15) . . ? C131 H135a 2.681(15) . . ? C131 H135e 3.273(16) . . ? C131 H136a 1.974(16) . . ? C131 H136e 1.99(2) . . ? C132 C134 2.51(3) . . ? C132 C135 2.88(4) . . ? C132 C136 2.46(3) . . ? C132 C11 3.71(6) . 2_656 ? C132 H121 3.02(2) . . ? C132 H126e 3.24(2) . . ? C132 H131 2.06(2) . . ? C132 H133a 2.06(2) . . ? C132 H133e 2.05(2) . . ? C132 H134a 2.72(2) . . ? C132 H135a 3.19(2) . . ? C132 H136a 2.67(2) . . ? C132 H136e 3.28(3) . . ? C133 C135 2.39(4) . . ? C133 C136 2.88(3) . . ? C133 C16 3.91(10) . 2_656 ? C133 H131 2.73(3) . . ? C133 H132a 2.08(2) . . ? C133 H132e 2.06(3) . . ? C133 H134a 2.02(3) . . ? C133 H134e 2.01(3) . . ? C133 H135a 2.59(3) . . ? C133 H135e 3.22(3) . . ? C133 H136a 3.22(2) . . ? C134 C136 2.51(3) . . ? C134 H131 3.28(2) . . ? C134 H132a 2.73(2) . . ? C134 H133a 1.99(2) . . ? C134 H133e 1.97(3) . . ? C134 H135a 2.01(3) . . ? C134 H135e 2.01(3) . . ? C134 H136a 2.72(2) . . ? C135 C136 3.94(3) . 3_666 ? C135 H131 2.69(2) . . ? C135 H132a 3.24(2) . . ? C135 H133a 2.58(3) . . ? C135 H133e 3.19(3) . . ? C135 H134a 1.98(2) . . ? C135 H134e 1.97(2) . . ? C135 H136a 2.08(2) . . ? C135 H136e 2.09(2) . . ? C136 C136 3.50(3) . 3_666 ? C136 H111 2.821(16) . . ? C136 H131 1.973(18) . . ? C136 H132a 2.70(2) . . ? C136 H132e 3.26(2) . . ? C136 H133a 3.182(17) . . ? C136 H134a 2.705(17) . . ? C136 H135a 2.029(17) . . ? C136 H135e 2.032(18) . . ? C136 H136a 2.963(19) . 3_666 ? As2 C212 2.86(2) . . ? As2 C213 4.26(2) . . ? As2 C216 2.985(17) . . ? As2 C222 2.82(2) . . ? As2 C223 4.25(2) . . ? As2 C226 2.96(2) . . ? As2 C232 2.856(17) . . ? As2 C233 4.294(18) . . ? As2 C235 4.30(2) . . ? As2 C236 2.867(18) . . ? As2 H211 2.3652(16) . . ? As2 H212a 2.985(2) . . ? As2 H212e 2.901(2) . . ? As2 H216a 3.1047(18) . . ? As2 H216e 3.1283(17) . . ? As2 H221 2.359(2) . . ? As2 H222a 2.9085(17) . . ? As2 H222e 2.901(2) . . ? As2 H226a 3.039(2) . . ? As2 H226e 3.086(2) . . ? As2 H231 2.4416(18) . . ? As2 H232a 2.9276(17) . . ? As2 H232e 2.9854(19) . . ? As2 H236a 2.9246(17) . . ? As2 H236e 2.999(2) . . ? C211 C213 2.49(3) . . ? C211 C214 2.90(3) . . ? C211 C215 2.55(2) . . ? C211 C221 3.08(3) . . ? C211 C222 3.66(3) . . ? C211 C226 3.42(3) . . ? C211 C231 3.13(2) . . ? C211 C232 3.69(2) . . ? C211 H212a 1.976(19) . . ? C211 H212e 1.978(18) . . ? C211 H213a 2.720(16) . . ? C211 H213e 3.283(19) . . ? C211 H214a 3.190(17) . . ? C211 H215a 2.833(15) . . ? C211 H216a 2.045(16) . . ? C211 H216e 2.053(17) . . ? C211 H222a 3.241(17) . . ? C211 H226a 2.92(2) . . ? C211 H231 3.098(16) . . ? C211 H232e 3.290(15) . . ? C212 C214 2.47(3) . . ? C212 C215 2.93(3) . . ? C212 C216 2.50(3) . . ? C212 H211 2.00(2) . . ? C212 H213a 2.037(16) . . ? C212 H213e 2.03(2) . . ? C212 H214a 2.652(19) . . ? C212 H214e 3.268(17) . . ? C212 H216a 2.79(2) . . ? C213 C215 2.48(3) . . ? C213 C216 2.91(3) . . ? C213 H211 2.69(2) . . ? C213 H212a 2.036(17) . . ? C213 H212e 2.049(19) . . ? C213 H214a 1.97(2) . . ? C213 H214e 1.97(2) . . ? C213 H215a 2.73(2) . . ? C213 H215e 3.27(2) . . ? C214 C216 2.49(3) . . ? C214 H211 3.21(2) . . ? C214 H212a 2.69(2) . . ? C214 H212e 3.28(2) . . ? C214 H213a 2.02(3) . . ? C214 H213e 2.01(3) . . ? C214 H215a 2.02(3) . . ? C214 H215e 2.01(3) . . ? C214 H216a 2.77(2) . . ? C214 H216e 3.29(2) . . ? C215 H211 2.70(2) . . ? C215 H212a 3.27(2) . . ? C215 H213a 2.71(2) . . ? C215 H214a 2.02(2) . . ? C215 H214e 2.01(2) . . ? C215 H216a 2.04(2) . . ? C215 H216e 2.03(2) . . ? C216 C221 3.87(2) . . ? C216 C223 3.83(3) . 6_646 ? C216 C226 3.67(3) . . ? C216 C231 3.29(2) . . ? C216 C232 3.80(2) . . ? C216 H211 1.953(17) . . ? C216 H212a 2.74(2) . . ? C216 H212e 3.299(19) . . ? C216 H213a 3.236(19) . . ? C216 H214a 2.71(2) . . ? C216 H214e 3.29(2) . . ? C216 H215a 2.038(16) . . ? C216 H215e 2.041(17) . . ? C216 H226a 3.06(2) . . ? C216 H231 2.826(17) . . ? C216 H232e 3.282(17) . . ? C221 C223 2.51(3) . . ? C221 C224 2.93(3) . . ? C221 C225 2.52(3) . . ? C221 C231 3.11(2) . . ? C221 C236 3.33(2) . . ? C221 H211 2.847(17) . . ? C221 H222a 1.957(16) . . ? C221 H222e 1.964(17) . . ? C221 H223a 2.803(18) . . ? C221 H223e 3.298(17) . . ? C221 H224a 3.257(17) . . ? C221 H225a 2.78(2) . . ? C221 H225e 3.298(18) . . ? C221 H226a 1.987(16) . . ? C221 H226e 1.993(18) . . ? C221 H236e 2.871(16) . . ? C222 C224 2.49(3) . . ? C222 C225 2.89(3) . . ? C222 C226 2.45(3) . . ? C222 C11 3.75(7) . . ? C222 H211 3.18(2) . . ? C222 H221 2.00(2) . . ? C222 H223a 2.06(2) . . ? C222 H223e 2.04(2) . . ? C222 H224a 2.73(2) . . ? C222 H225a 3.23(2) . . ? C222 H226a 2.73(2) . . ? C222 H226e 3.24(2) . . ? C223 C225 2.45(3) . . ? C223 C226 2.90(2) . . ? C223 H216e 3.13(2) . 6_656 ? C223 H221 2.748(17) . . ? C223 H222a 2.03(2) . . ? C223 H222e 2.01(2) . . ? C223 H224a 2.013(18) . . ? C223 H224e 2.01(2) . . ? C223 H225a 2.69(2) . . ? C223 H225e 3.255(18) . . ? C223 H226a 3.287(17) . . ? C224 C226 2.49(3) . . ? C224 H124e 3.23(3) . 5_545 ? C224 H221 3.26(2) . . ? C224 H222a 2.73(3) . . ? C224 H222e 3.28(2) . . ? C224 H223a 2.01(2) . . ? C224 H223e 1.99(2) . . ? C224 H225a 2.00(2) . . ? C224 H225e 1.99(2) . . ? C224 H226a 2.76(2) . . ? C224 H226e 3.30(2) . . ? C225 C12 3.81(7) . 6_646 ? C225 H221 2.69(2) . . ? C225 H222a 3.26(3) . . ? C225 H223a 2.70(2) . . ? C225 H223e 3.25(2) . . ? C225 H224a 2.01(2) . . ? C225 H224e 1.98(2) . . ? C225 H226a 2.07(3) . . ? C225 H226e 2.05(2) . . ? C225 H12 3.18(3) . 6_646 ? C226 C231 3.60(2) . . ? C226 C236 3.86(2) . . ? C226 H211 3.03(2) . . ? C226 H216e 3.019(18) . . ? C226 H221 1.935(17) . . ? C226 H222a 2.710(17) . . ? C226 H222e 3.237(17) . . ? C226 H223a 3.272(15) . . ? C226 H224a 2.730(16) . . ? C226 H224e 3.293(18) . . ? C226 H225a 2.03(2) . . ? C226 H225e 2.02(2) . . ? C226 H236e 3.211(16) . . ? C231 C233 2.55(2) . . ? C231 C234 2.99(2) . . ? C231 C235 2.55(2) . . ? C231 H216a 2.910(14) . . ? C231 H216e 3.299(14) . . ? C231 H221 3.053(16) . . ? C231 H226e 3.163(17) . . ? C231 H232a 2.022(17) . . ? C231 H232e 2.030(18) . . ? C231 H233a 2.772(14) . . ? C231 H235a 2.760(16) . . ? C231 H236a 2.024(14) . . ? C231 H236e 2.027(18) . . ? C232 C234 2.54(3) . . ? C232 C235 2.93(3) . . ? C232 C236 2.49(3) . . ? C232 H216a 3.140(15) . . ? C232 H231 2.01(2) . . ? C232 H233a 2.060(16) . . ? C232 H233e 2.064(17) . . ? C232 H234a 2.755(15) . . ? C232 H235a 3.251(19) . . ? C232 H236a 2.717(17) . . ? C232 H236e 3.30(2) . . ? C233 C235 2.50(3) . . ? C233 C236 2.95(3) . . ? C233 H123e 3.00(2) . 2_646 ? C233 H231 2.741(19) . . ? C233 H232a 2.057(18) . . ? C233 H232e 2.06(2) . . ? C233 H234a 2.06(2) . . ? C233 H234e 2.05(2) . . ? C233 H235a 2.70(2) . . ? C233 H236a 3.29(2) . . ? C234 C236 2.54(3) . . ? C234 H116e 3.28(2) . 3_666 ? C234 H232a 2.74(2) . . ? C234 H233a 2.06(2) . . ? C234 H233e 2.05(3) . . ? C234 H235a 2.04(3) . . ? C234 H235e 2.03(3) . . ? C234 H236a 2.76(2) . . ? C235 C15 3.96(6) . 6_646 ? C235 H116e 3.29(2) . 3_666 ? C235 H231 2.752(18) . . ? C235 H232a 3.26(2) . . ? C235 H233a 2.72(2) . . ? C235 H234a 2.03(3) . . ? C235 H234e 2.03(2) . . ? C235 H236a 2.07(2) . . ? C235 H236e 2.07(2) . . ? C236 H135a 3.143(17) . 3_666 ? C236 H221 2.827(17) . . ? C236 H231 2.031(17) . . ? C236 H232a 2.71(2) . . ? C236 H233a 3.281(18) . . ? C236 H234a 2.746(17) . . ? C236 H235a 2.063(17) . . ? C236 H235e 2.062(18) . . ? C11 C13 2.09(8) . . ? C11 C14 2.34(7) . . ? C11 C15 2.11(6) . . ? C11 H132e 3.28(6) . 2_656 ? C11 H222a 2.95(6) . . ? C11 H12 1.83(7) . . ? C11 H13 2.93(7) . . ? C11 H14 3.23(5) . . ? C11 H15 2.90(4) . . ? C11 H16 2.22(6) . . ? C12 C14 2.05(7) . . ? C12 C15 2.40(8) . . ? C12 C16 2.32(9) . . ? C12 H11 2.06(7) . . ? C12 H13 1.84(7) . . ? C12 H14 2.89(4) . . ? C12 H15 3.07(6) . . ? C12 H16 3.26(7) . . ? C13 C15 2.23(9) . . ? C13 C16 2.55(7) . . ? C13 H11 3.00(5) . . ? C13 H12 1.94(6) . . ? C13 H14 1.87(6) . . ? C13 H15 2.77(5) . . ? C14 C16 2.01(8) . . ? C14 H126e 2.97(6) . 8_565 ? C14 H11 3.29(6) . . ? C14 H12 2.96(5) . . ? C14 H13 2.04(5) . . ? C14 H15 1.74(6) . . ? C14 H16 2.83(5) . . ? C15 H11 2.94(4) . . ? C15 H12 3.25(6) . . ? C15 H13 3.16(8) . . ? C15 H14 2.07(7) . . ? C15 H16 1.84(7) . . ? C16 H133e 3.06(9) . 2_656 ? C16 H11 1.96(7) . . ? C16 H12 3.10(6) . . ? C16 H14 2.77(6) . . ? C16 H15 2.01(8) . . ? H111 H112e 2.2521(7) . . ? H111 H115a 2.5128(6) . . ? H111 H116e 2.0031(7) . . ? H111 H136e 2.1731(5) . . ? H112a H112e 1.5514(7) . . ? H112a H113e 2.2545(7) . . ? H112a H114a 2.5953(6) . . ? H112e H113a 2.2605(5) . . ? H112e H113e 2.3627(6) . . ? H113a H113e 1.5514(4) . . ? H113a H114e 2.2047(9) . . ? H113e H114a 2.2015(7) . . ? H113e H114e 2.2959(6) . . ? H114a H114e 1.5514(3) . . ? H114a H115e 2.2472(7) . . ? H114e H115a 2.2486(5) . . ? H114e H115e 2.3395(6) . . ? H115a H115e 1.5514(7) . . ? H115a H116e 2.2271(7) . . ? H115e H116a 2.2239(5) . . ? H115e H116e 2.3527(6) . . ? H116a H116e 1.5513(4) . . ? H116a H126a 2.2441(7) . . ? H116e H235e 2.5853(7) . 3_666 ? H121 H122a 2.4072(6) . . ? H121 H122e 1.6779(5) . . ? H121 H126e 1.9896(5) . . ? H121 H132e 2.4584(6) . . ? H122a H122e 1.5513(5) . . ? H122a H123e 2.1724(5) . . ? H122e H123a 2.1807(6) . . ? H122e H123e 2.5072(10) . . ? H123a H123e 1.5514(4) . . ? H123a H124a 2.5642(9) . . ? H123a H124e 1.9516(6) . . ? H123e H124a 1.9447(5) . . ? H123e H124e 2.3357(6) . . ? H123e H233a 2.5010(6) . 2_666 ? H124a H124e 1.5513(4) . . ? H124a H125a 2.4314(6) . . ? H124a H125e 1.7700(6) . . ? H124e H125a 1.7679(5) . . ? H124e H125e 2.2006(6) . . ? H124e H224e 2.3874(6) . 5_455 ? H125a H125e 1.5514(4) . . ? H125a H126e 2.1417(5) . . ? H125e H126a 2.1480(6) . . ? H125e H126e 2.5528(11) . . ? H126a H126e 1.5512(4) . . ? H126e H131 2.5527(7) . . ? H126e H14 2.3422(7) . 8_464 ? H131 H132e 2.3009(5) . . ? H131 H135a 2.5285(7) . . ? H131 H136e 2.2236(6) . . ? H132a H132e 1.5513(6) . . ? H132a H133e 2.3214(6) . . ? H132a H136a 2.5509(7) . . ? H132e H133a 2.3175(7) . . ? H132e H133e 2.3678(7) . . ? H133a H133e 1.5513(4) . . ? H133a H134e 2.2456(9) . . ? H133a H135a 2.4234(6) . . ? H133e H134a 2.2522(6) . . ? H133e H134e 2.2895(5) . . ? H134a H134e 1.5513(4) . . ? H134a H135e 2.2571(5) . . ? H134a H136a 2.5821(7) . . ? H134e H135a 2.2510(6) . . ? H134e H135e 2.2887(8) . . ? H135a H135e 1.5513(6) . . ? H135a H136e 2.3208(6) . . ? H135a H236a 2.4776(9) . 3_666 ? H135e H136a 2.3234(7) . . ? H135e H136e 2.3435(6) . . ? H136a H136e 1.5513(4) . . ? H211 H212e 2.2634(6) . . ? H211 H213a 2.5784(9) . . ? H211 H216e 2.1733(9) . . ? H211 H226a 2.3954(6) . . ? H212a H212e 1.5513(6) . . ? H212a H213e 2.2879(7) . . ? H212a H214a 2.5241(7) . . ? H212e H213a 2.2923(6) . . ? H212e H213e 2.3445(7) . . ? H213a H213e 1.5515(4) . . ? H213a H214e 2.5536(8) . 7_657 ? H213a H214e 2.2525(10) . . ? H213e H214a 2.2462(9) . . ? H213e H214e 2.2908(7) . . ? H214a H214e 1.5514(4) . . ? H214a H215e 2.2408(6) . . ? H214e H215a 2.2454(5) . . ? H214e H215e 2.3182(6) . . ? H215a H215e 1.5513(6) . . ? H215a H216e 2.2448(7) . . ? H215e H216a 2.2421(6) . . ? H215e H216e 2.3802(7) . . ? H216a H216e 1.5514(4) . . ? H216a H231 2.4116(8) . . ? H216a H232e 2.5377(7) . . ? H216e H226a 2.4015(7) . . ? H221 H222e 2.2192(8) . . ? H221 H226e 2.1271(6) . . ? H221 H236e 2.2541(8) . . ? H222a H222e 1.5513(4) . . ? H222a H223e 2.2436(6) . . ? H222a H11 2.5870(7) . . ? H222e H223a 2.2498(5) . . ? H222e H223e 2.3567(7) . . ? H223a H223e 1.5512(4) . . ? H223a H224e 2.2196(7) . . ? H223e H224a 2.2186(7) . . ? H223e H224e 2.3223(6) . . ? H224a H224e 1.5513(5) . . ? H224a H225e 2.2142(8) . . ? H224e H225a 2.2132(7) . . ? H224e H225e 2.3010(11) . . ? H225a H225e 1.5512(4) . . ? H225a H226e 2.2609(6) . . ? H225e H226a 2.2602(5) . . ? H225e H226e 2.3642(7) . . ? H226a H226e 1.5512(4) . . ? H231 H232e 2.2737(6) . . ? H231 H236e 2.2816(6) . . ? H232a H232e 1.5513(4) . . ? H232a H233e 2.3081(10) . . ? H232a H236a 2.5877(6) . . ? H232e H233a 2.3115(7) . . ? H232e H233e 2.3544(6) . . ? H233a H233e 1.5513(5) . . ? H233a H234e 2.3206(7) . . ? H233a H235a 2.5762(6) . . ? H233e H234a 2.3212(7) . . ? H233e H234e 2.3707(7) . . ? H234a H234e 1.5514(6) . . ? H234a H235e 2.2843(6) . . ? H234e H235a 2.2814(7) . . ? H234e H235e 2.3289(6) . . ? H235a H235e 1.5514(4) . . ? H235a H236e 2.3227(10) . . ? H235e H236a 2.3233(7) . . ? H235e H236e 2.3689(6) . . ? H236a H236e 1.5512(5) . . ? H11 H12 2.2873(9) . . ? H11 H16 2.4489(6) . . ? H12 H13 2.2565(6) . . ? H13 H14 2.2931(5) . . ? H14 H15 2.2628(7) . . ? H15 H16 2.3517(6) . . ? loop_ _geom_angle_atom_site_label_1 #ActaC _geom_angle_atom_site_label_2 #ActaC _geom_angle_atom_site_label_3 #ActaC _geom_angle #ActaC _geom_angle_site_symmetry_1 #ActaC _geom_angle_site_symmetry_2 #ActaC _geom_angle_site_symmetry_3 #ActaC _geom_angle_publ_flag #ActaC N1 Ag1 N2 91.1(4) . . . ? N1 Ag1 As1 124.8(3) . . . ? N1 Ag1 N1 88.4(4) . . 2_656 ? N2 Ag1 As1 133.3(3) . . . ? N2 Ag1 N1 87.8(5) . . 2_656 ? As1 Ag1 N1 118.6(3) . . 2_656 ? N1 Ag2 N2 91.4(4) . . . ? N1 Ag2 As2 127.4(3) . . . ? N1 Ag2 N2 87.3(4) . . 2_656 ? N2 Ag2 As2 124.0(3) . . . ? N2 Ag2 N2 89.9(5) . . 2_656 ? As2 Ag2 N2 125.5(3) . . 2_656 ? Ag1 N1 Ag2 87.6(4) . . . ? Ag1 N1 C1 122.7(15) . . . ? Ag1 N1 Ag1 91.6(4) . . 2_656 ? Ag2 N1 C1 127.6(16) . . . ? Ag2 N1 Ag1 91.7(4) . . 2_656 ? C1 N1 Ag1 124.6(17) . . 2_656 ? N1 C1 O1 176(2) . . . ? Ag1 N2 Ag2 89.6(4) . . . ? Ag1 N2 C2 124.2(14) . . . ? Ag1 N2 Ag2 93.1(5) . . 2_656 ? Ag2 N2 C2 124.6(13) . . . ? Ag2 N2 Ag2 90.1(5) . . 2_656 ? C2 N2 Ag2 125.0(14) . . 2_656 ? N2 C2 O2 177(2) . . . ? Ag1 As1 C111 116.1(5) . . . ? Ag1 As1 C121 109.1(7) . . . ? Ag1 As1 C131 114.5(4) . . . ? C111 As1 C121 106.5(10) . . . ? C111 As1 C131 104.4(8) . . . ? C121 As1 C131 105.5(8) . . . ? As1 C111 C112 111.2(17) . . . ? As1 C111 C116 118.5(15) . . . ? As1 C111 H111 102.0(15) . . . ? C112 C111 C116 115.3(18) . . . ? C112 C111 H111 113(2) . . . ? C116 C111 H111 95.0(17) . . . ? C111 C112 C113 114(2) . . . ? C111 C112 H112a 108(2) . . . ? C111 C112 H112e 105(2) . . . ? C113 C112 H112a 110(2) . . . ? C113 C112 H112e 107(2) . . . ? H112a C112 H112e 112(3) . . . ? C112 C113 C114 110(2) . . . ? C112 C113 H113a 110(2) . . . ? C112 C113 H113e 107(3) . . . ? C114 C113 H113a 109(3) . . . ? C114 C113 H113e 109(2) . . . ? H113a C113 H113e 111(3) . . . ? C113 C114 C115 113(2) . . . ? C113 C114 H114a 107(3) . . . ? C113 C114 H114e 107(2) . . . ? C115 C114 H114a 109(2) . . . ? C115 C114 H114e 109(3) . . . ? H114a C114 H114e 111(3) . . . ? C114 C115 C116 112(2) . . . ? C114 C115 H115a 109(3) . . . ? C114 C115 H115e 108(2) . . . ? C116 C115 H115a 108(2) . . . ? C116 C115 H115e 108(3) . . . ? H115a C115 H115e 111(3) . . . ? C111 C116 C115 114.0(17) . . . ? C111 C116 H116a 107(2) . . . ? C111 C116 H116e 110.1(18) . . . ? C115 C116 H116a 107.6(18) . . . ? C115 C116 H116e 108(2) . . . ? H116a C116 H116e 109.7(19) . . . ? As1 C121 C122 116.5(19) . . . ? As1 C121 C126 121.1(17) . . . ? As1 C121 H121 93.0(14) . . . ? C122 C121 C126 120(2) . . . ? C122 C121 H121 93(2) . . . ? C126 C121 H121 100(2) . . . ? C121 C122 C123 121(2) . . . ? C121 C122 H122a 107(3) . . . ? C121 C122 H122e 102(2) . . . ? C123 C122 H122a 106(2) . . . ? C123 C122 H122e 107(3) . . . ? H122a C122 H122e 114(3) . . . ? C122 C123 C124 113(2) . . . ? C122 C123 H123a 106(2) . . . ? C122 C123 H123e 108(2) . . . ? C124 C123 H123a 105(3) . . . ? C124 C123 H123e 114(2) . . . ? H123a C123 H123e 110(2) . . . ? C123 C124 C125 123(3) . . . ? C123 C124 H124a 99(3) . . . ? C123 C124 H124e 107(3) . . . ? C125 C124 H124a 109(4) . . . ? C125 C124 H124e 109(4) . . . ? H124a C124 H124e 109(3) . . . ? C124 C125 C126 122(3) . . . ? C124 C125 H125a 105(4) . . . ? C124 C125 H125e 101(3) . . . ? C126 C125 H125a 111(3) . . . ? C126 C125 H125e 104(3) . . . ? H125a C125 H125e 115(4) . . . ? C121 C126 C125 112(2) . . . ? C121 C126 H126a 114(2) . . . ? C121 C126 H126e 108(2) . . . ? C125 C126 H126a 110(2) . . . ? C125 C126 H126e 103(2) . . . ? H126a C126 H126e 109(2) . . . ? As1 C131 C132 108.9(12) . . . ? As1 C131 C136 110.7(12) . . . ? As1 C131 H131 109.5(11) . . . ? C132 C131 C136 111.1(14) . . . ? C132 C131 H131 109.7(17) . . . ? C136 C131 H131 106.9(16) . . . ? C131 C132 C133 110(2) . . . ? C131 C132 H132a 109(2) . . . ? C131 C132 H132e 108.6(19) . . . ? C133 C132 H132a 111(2) . . . ? C133 C132 H132e 108(2) . . . ? H132a C132 H132e 110(2) . . . ? C132 C133 C134 111.6(18) . . . ? C132 C133 H133a 110(2) . . . ? C132 C133 H133e 108(2) . . . ? C134 C133 H133a 109(3) . . . ? C134 C133 H133e 106(3) . . . ? H133a C133 H133e 112(2) . . . ? C133 C134 C135 108(2) . . . ? C133 C134 H134a 112(3) . . . ? C133 C134 H134e 109(2) . . . ? C135 C134 H134a 109(2) . . . ? C135 C134 H134e 106(2) . . . ? H134a C134 H134e 111(2) . . . ? C134 C135 C136 112(2) . . . ? C134 C135 H135a 111(2) . . . ? C134 C135 H135e 110(2) . . . ? C136 C135 H135a 106.5(17) . . . ? C136 C135 H135e 107(2) . . . ? H135a C135 H135e 110(2) . . . ? C131 C136 C135 111.8(15) . . . ? C131 C136 H136a 106.9(18) . . . ? C131 C136 H136e 108.8(16) . . . ? C135 C136 H136a 109.8(15) . . . ? C135 C136 H136e 111(2) . . . ? H136a C136 H136e 108.3(16) . . . ? Ag2 As2 C211 112.3(5) . . . ? Ag2 As2 C221 115.4(5) . . . ? Ag2 As2 C231 113.6(5) . . . ? C211 As2 C221 103.5(7) . . . ? C211 As2 C231 105.9(6) . . . ? C221 As2 C231 105.2(7) . . . ? As2 C211 C212 111.8(11) . . . ? As2 C211 C216 116.8(12) . . . ? As2 C211 H211 102.5(12) . . . ? C212 C211 C216 113.5(16) . . . ? C212 C211 H211 109.7(15) . . . ? C216 C211 H211 101.2(14) . . . ? C211 C212 C213 112.7(16) . . . ? C211 C212 H212a 107.9(17) . . . ? C211 C212 H212e 108.1(18) . . . ? C213 C212 H212a 108.7(18) . . . ? C213 C212 H212e 109.8(17) . . . ? H212a C212 H212e 109.7(18) . . . ? C212 C213 C214 111.2(16) . . . ? C212 C213 H213a 108.2(19) . . . ? C212 C213 H213e 108.3(17) . . . ? C214 C213 H213a 110.5(18) . . . ? C214 C213 H213e 110(2) . . . ? H213a C213 H213e 109(2) . . . ? C213 C214 C215 113(2) . . . ? C213 C214 H214a 108(2) . . . ? C213 C214 H214e 107(2) . . . ? C215 C214 H214a 109(2) . . . ? C215 C214 H214e 108(2) . . . ? H214a C214 H214e 112(2) . . . ? C214 C215 C216 110.9(17) . . . ? C214 C215 H215a 110(2) . . . ? C214 C215 H215e 107(2) . . . ? C216 C215 H215a 110(2) . . . ? C216 C215 H215e 108.5(18) . . . ? H215a C215 H215e 110(2) . . . ? C211 C216 C215 113.4(15) . . . ? C211 C216 H216a 108.9(16) . . . ? C211 C216 H216e 109.3(16) . . . ? C215 C216 H216a 109.0(17) . . . ? C215 C216 H216e 107.5(16) . . . ? H216a C216 H216e 108.7(18) . . . ? As2 C221 C222 110.4(15) . . . ? As2 C221 C226 117.6(12) . . . ? As2 C221 H221 102.5(12) . . . ? C222 C221 C226 112.6(14) . . . ? C222 C221 H221 110.1(16) . . . ? C226 C221 H221 102.6(16) . . . ? C221 C222 C223 114.4(19) . . . ? C221 C222 H222a 108.0(18) . . . ? C221 C222 H222e 107.2(16) . . . ? C223 C222 H222a 109.2(17) . . . ? C223 C222 H222e 106.4(18) . . . ? H222a C222 H222e 112(2) . . . ? C222 C223 C224 111.4(16) . . . ? C222 C223 H223a 111.4(17) . . . ? C222 C223 H223e 108(2) . . . ? C224 C223 H223a 110(2) . . . ? C224 C223 H223e 106.4(17) . . . ? H223a C223 H223e 109.9(17) . . . ? C223 C224 C225 110.8(17) . . . ? C223 C224 H224a 110(2) . . . ? C223 C224 H224e 108(2) . . . ? C225 C224 H224a 111(2) . . . ? C225 C224 H224e 106(2) . . . ? H224a C224 H224e 111(2) . . . ? C224 C225 C226 111(2) . . . ? C224 C225 H225a 111(2) . . . ? C224 C225 H225e 106.7(19) . . . ? C226 C225 H225a 110(2) . . . ? C226 C225 H225e 106(2) . . . ? H225a C225 H225e 112(3) . . . ? C221 C226 C225 113.2(15) . . . ? C221 C226 H226a 107.6(18) . . . ? C221 C226 H226e 107.3(15) . . . ? C225 C226 H226a 111.1(17) . . . ? C225 C226 H226e 108.3(19) . . . ? H226a C226 H226e 109.2(15) . . . ? As2 C231 C232 110.4(12) . . . ? As2 C231 C236 110.8(10) . . . ? As2 C231 H231 108.9(10) . . . ? C232 C231 C236 111.0(12) . . . ? C232 C231 H231 107.3(14) . . . ? C236 C231 H231 108.4(16) . . . ? C231 C232 C233 112.9(16) . . . ? C231 C232 H232a 108.4(15) . . . ? C231 C232 H232e 109.4(15) . . . ? C233 C232 H232a 108.1(14) . . . ? C233 C232 H232e 108.4(15) . . . ? H232a C232 H232e 109.5(19) . . . ? C232 C233 C234 110.8(15) . . . ? C232 C233 H233a 108.8(16) . . . ? C232 C233 H233e 109(2) . . . ? C234 C233 H233a 110(2) . . . ? C234 C233 H233e 108.9(17) . . . ? H233a C233 H233e 109.5(19) . . . ? C233 C234 C235 109.9(17) . . . ? C233 C234 H234a 110(2) . . . ? C233 C234 H234e 109.1(18) . . . ? C235 C234 H234a 109(2) . . . ? C235 C234 H234e 108(2) . . . ? H234a C234 H234e 110(2) . . . ? C234 C235 C236 111.8(19) . . . ? C234 C235 H235a 109(2) . . . ? C234 C235 H235e 109(2) . . . ? C236 C235 H235a 108.5(17) . . . ? C236 C235 H235e 108.7(18) . . . ? H235a C235 H235e 110(2) . . . ? C231 C236 C235 112.3(14) . . . ? C231 C236 H236a 108.3(18) . . . ? C231 C236 H236e 108.5(14) . . . ? C235 C236 H236a 109.2(15) . . . ? C235 C236 H236e 109.1(19) . . . ? H236a C236 H236e 109.4(17) . . . ? C12 C11 C16 119(5) . . . ? C12 C11 H11 132(5) . . . ? C16 C11 H11 109(6) . . . ? C11 C12 C13 116(5) . . . ? C11 C12 H12 111(6) . . . ? C13 C12 H12 132(8) . . . ? C12 C13 C14 113(5) . . . ? C12 C13 H13 116(6) . . . ? C14 C13 H13 130(5) . . . ? C13 C14 C15 120(5) . . . ? C13 C14 H14 112(5) . . . ? C15 C14 H14 128(5) . . . ? C14 C15 C16 103(6) . . . ? C14 C15 H15 106(7) . . . ? C16 C15 H15 148(9) . . . ? C11 C16 C15 104(6) . . . ? C11 C16 H16 136(6) . . . ? C15 C16 H16 111(7) . . . ? loop_ _geom_torsion_atom_site_label_1 #ActaC _geom_torsion_atom_site_label_2 #ActaC _geom_torsion_atom_site_label_3 #ActaC _geom_torsion_atom_site_label_4 #ActaC _geom_torsion #ActaC _geom_torsion_site_symmetry_1 #ActaC _geom_torsion_site_symmetry_2 #ActaC _geom_torsion_site_symmetry_3 #ActaC _geom_torsion_site_symmetry_4 #ActaC _geom_torsion_publ_flag #ActaC ? ? ? ? ? ? ? ? ? ? _reflns_limit_h_min 0 _reflns_limit_h_max 32 _reflns_limit_k_min 0 _reflns_limit_k_max 16 _reflns_limit_l_min -27 _reflns_limit_l_max 27 _reflns_number_total 7841 #ActaC _reflns_number_observed 2506 #ActaC _reflns_observed_criterion refl_observed_if_I____>_3__sigma(I___) _reflns_d_resolution_high ? _reflns_d_resolution_low ? loop_ _reflns_scale_group_code _reflns_scale_meas_F 1 10.0653 #=END data_ascyag _audit_creation_date 97-11-24 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common 'AgCN:As(C6H11)3 (1:1) (alpha)' #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum ? #ActaC _chemical_formula_weight ? #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #ActaC _computing_data_reduction xtal_DIFDAT_SORTRF_ADDREF_ABSORB #ActaC _computing_structure_solution xtal #ActaC _computing_structure_refinement xtal_CRYLSQ #ActaC _computing_molecular_graphics xtal #ActaC _computing_publication_material xtal_BONDLA_CIFIO #ActaC _cell_length_a 10.140(4) #ActaC _cell_length_b 25.542(9) #ActaC _cell_length_c 15.520(4) #ActaC _cell_angle_alpha 90.00000 #ActaC _cell_angle_beta 90.63(3) #ActaC _cell_angle_gamma 90.00000 #ActaC _cell_volume 4019(2) #ActaC _cell_formula_units_Z 4 #ActaC _cell_measurement_temperature 293 #ActaC _cell_measurement_reflns_used ? #ActaC _cell_measurement_theta_min ? #ActaC _cell_measurement_theta_max ? #ActaC _cell_special_details #ActaC ; ? ; _symmetry_cell_setting monoclinic #ActaC _symmetry_space_group_name_H-M p_1_21/n_1 #ActaC _symmetry_space_group_name_Hall -p_2yn #ActaC loop_ _symmetry_equiv_pos_as_xyz #ActaC +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 ? #ActaC _exptl_crystal_preparation ? _exptl_crystal_colour ? #ActaC _exptl_crystal_size_max ? #ActaC _exptl_crystal_size_mid ? #ActaC _exptl_crystal_size_min ? #ActaC _exptl_crystal_density_diffrn 1.515 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 1872 #ActaC _exptl_absorpt_process_details ? _exptl_absorpt_coefficient_mu ? #ActaC _exptl_absorpt_correction_type ? #ActaC _exptl_absorpt_correction_T_min ? #ActaC _exptl_absorpt_correction_T_max ? #ActaC _exptl_special_details #ActaC ; ? ; _diffrn_special_details ; ? ; _diffrn_ambient_temperature 293 #ActaC _diffrn_radiation_wavelength ? #ActaC _diffrn_radiation_type xray_tube #ActaC _diffrn_radiation_source ? #ActaC _diffrn_radiation_monochromator ? #ActaC _diffrn_radiation_detector ? #ActaC _diffrn_measurement_device CAD4 #ActaC _diffrn_measurement_method ? #ActaC _diffrn_standards_number ? #ActaC _diffrn_standards_interval_count ? #ActaC _diffrn_standards_interval_time ? #ActaC _diffrn_standards_decay_% ? #ActaC loop_ _diffrn_standard_refln_index_h #ActaC _diffrn_standard_refln_index_k #ActaC _diffrn_standard_refln_index_l #ActaC ? ? ? loop_ _diffrn_attenuator_code _diffrn_attenuator_scale ? ? _diffrn_reflns_number 6323 #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI .073 #ActaC _diffrn_reflns_limit_h_min 0 #ActaC _diffrn_reflns_limit_h_max 11 #ActaC _diffrn_reflns_limit_k_min 0 #ActaC _diffrn_reflns_limit_k_max 29 #ActaC _diffrn_reflns_limit_l_min -17 #ActaC _diffrn_reflns_limit_l_max 17 #ActaC _diffrn_reflns_theta_min 1.54 #ActaC _diffrn_reflns_theta_max 23.98 #ActaC _diffrn_reflns_reduction_process equatorial_monochr_Lp #ActaC loop_ _atom_type_symbol #ActaC _atom_type_description #ActaC _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real #ActaC _atom_type_scat_dispersion_imag #ActaC _atom_type_scat_source #ActaC C ? 0 152 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 264 0 0 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Ag ? 0 8 -1.085 1.101 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 As ? 0 8 -.03 2.007 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 N ? 0 8 .004 .003 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 loop_ _atom_site_label #ActaC _atom_site_fract_x #ActaC _atom_site_fract_y #ActaC _atom_site_fract_z #ActaC _atom_site_U_iso_or_equiv #ActaC _atom_site_thermal_displace_type #ActaC _atom_site_calc_flag #ActaC _atom_site_calc_attached_atom #ActaC Ag1 .20185(13) .65224(5) .77625(9) .0485(9) Uani ? ? Ag2 .67737(14) .66586(6) .87291(9) .0627(10) Uani ? ? C1 .4747(18) .6691(6) .8898(11) .046(11) Uani ? ? N1 .3658(14) .6700(6) .8878(9) .060(11) Uani ? ? C2 .8732(17) .6604(7) .8522(12) .059(13) Uani ? ? N2 .9779(16) .6566(6) .8428(11) .080(13) Uani ? ? As1 .18015(17) .73397(6) .68403(11) .0411(11) Uani ? ? C111 .3429(18) .7746(6) .6676(12) .062(13) Uani ? ? C112 .462(2) .7387(7) .6677(16) .11(2) Uani ? ? C113 .5962(18) .7685(10) .6602(14) .101(19) Uani ? ? C114 .590(2) .8044(9) .5854(19) .12(2) Uani ? ? C115 .482(2) .8403(8) .5834(13) .085(17) Uani ? ? C116 .347(2) .8115(7) .5921(12) .073(15) Uani ? ? C121 .0656(17) .7832(7) .7436(11) .056(13) Uani ? ? C122 .109(2) .7908(7) .8353(13) .074(15) Uani ? ? C123 .001(2) .8223(8) .8873(12) .087(17) Uani ? ? C124 -.039(2) .8718(8) .8459(15) .10(2) Uani ? ? C125 -.075(2) .8648(8) .7499(16) .095(18) Uani ? ? C126 .031(2) .8335(8) .6987(11) .076(15) Uani ? ? C131 .0931(16) .7271(6) .5727(11) .054(12) Uani ? ? C132 -.046(2) .7073(7) .5868(12) .073(15) Uani ? ? C133 -.1194(18) .6957(7) .4968(13) .071(15) Uani ? ? C134 -.0445(18) .6588(8) .4419(12) .073(15) Uani ? ? C135 .089(3) .6813(7) .4283(13) .097(18) Uani ? ? C136 .1651(17) .6908(7) .5132(12) .063(14) Uani ? ? As2 .23629(17) .55266(6) .77211(11) .0428(11) Uani ? ? C211 .2685(19) .5284(7) .8913(12) .067(14) Uani ? ? C212 .178(3) .5508(8) .9519(14) .12(2) Uani ? ? C213 .208(2) .5377(8) 1.0474(13) .089(17) Uani ? ? C214 .229(2) .4795(10) 1.0600(14) .096(19) Uani ? ? C215 .325(2) .4579(8) .9995(16) .11(2) Uani ? ? C216 .295(2) .4701(8) .9042(13) .084(16) Uani ? ? C221 .3738(17) .5130(7) .7136(10) .055(12) Uani ? ? C222 .512(2) .5322(9) .7366(11) .070(15) Uani ? ? C223 .552(2) .5845(8) .6966(15) .087(18) Uani ? ? C224 .533(2) .5841(9) .6000(16) .088(18) Uani ? ? C225 .396(3) .5677(9) .5731(12) .10(2) Uani ? ? C226 .3649(18) .5145(8) .6126(13) .078(16) Uani ? ? C231 .072(2) .5217(8) .7343(14) .080(17) Uani ? ? C232 .022(2) .5479(8) .6524(16) .099(18) Uani ? ? C233 -.123(3) .5309(12) .6339(17) .13(3) Uani ? ? C234 -.137(2) .4729(11) .6269(17) .11(2) Uani ? ? C235 -.088(2) .4484(8) .7069(15) .100(19) Uani ? ? C236 .060(2) .4636(9) .7250(14) .10(2) Uani ? ? H111 .34492 .79771 .71616 .07850 Uiso ? ? H112a .45335 .71537 .62045 .13770 Uiso ? ? H112e .46303 .71939 .72005 .13770 Uiso ? ? H113a .61300 .78771 .71122 .12480 Uiso ? ? H113e .66526 .74379 .65159 .12480 Uiso ? ? H114a .58576 .78410 .53474 .15460 Uiso ? ? H114e .66908 .82466 .58605 .15460 Uiso ? ? H115a .49096 .86475 .62946 .10490 Uiso ? ? H115e .48229 .85895 .53006 .10490 Uiso ? ? H116a .33031 .79197 .54086 .09140 Uiso ? ? H116e .27869 .83700 .59847 .09140 Uiso ? ? H121 -.01857 .76596 .74317 .07100 Uiso ? ? H122a .18957 .80993 .83646 .09110 Uiso ? ? H122e .12268 .75763 .86191 .09110 Uiso ? ? H123a -.07436 .80058 .89304 .10750 Uiso ? ? H123e .03625 .83002 .94305 .10750 Uiso ? ? H124a .03117 .89609 .85081 .12320 Uiso ? ? H124e -.11425 .88502 .87491 .12320 Uiso ? ? H125a -.15629 .84655 .74551 .11680 Uiso ? ? H125e -.08418 .89849 .72447 .11680 Uiso ? ? H126a .10860 .85431 .69376 .09610 Uiso ? ? H126e -.00249 .82604 .64237 .09610 Uiso ? ? H131 .09164 .76065 .54520 .06660 Uiso ? ? H132a -.04210 .67582 .61962 .08920 Uiso ? ? H132e -.09461 .73286 .61788 .08920 Uiso ? ? H133a -.13031 .72789 .46647 .08870 Uiso ? ? H133e -.20416 .68122 .50793 .08870 Uiso ? ? H134a -.03735 .62567 .46972 .09170 Uiso ? ? H134e -.08880 .65426 .38782 .09170 Uiso ? ? H135a .07958 .71382 .39902 .11870 Uiso ? ? H135e .13826 .65784 .39353 .11870 Uiso ? ? H136a .17818 .65809 .54175 .07850 Uiso ? ? H136e .24934 .70548 .50045 .07850 Uiso ? ? H211 .35418 .54246 .90467 .08320 Uiso ? ? H212a .09300 .53850 .93820 .14920 Uiso ? ? H212e .18161 .58783 .94584 .14920 Uiso ? ? H213a .28427 .55605 1.06616 .11130 Uiso ? ? H213e .13446 .54869 1.08135 .11130 Uiso ? ? H214a .14661 .46218 1.05203 .11970 Uiso ? ? H214e .25999 .47371 1.11722 .11970 Uiso ? ? H215a .40872 .47160 1.01368 .13700 Uiso ? ? H215e .32533 .42083 1.00650 .13700 Uiso ? ? H216a .21953 .45074 .88568 .10530 Uiso ? ? H216e .36877 .45972 .87043 .10530 Uiso ? ? H221 .35867 .47778 .73343 .06840 Uiso ? ? H222a .57275 .50619 .71866 .08660 Uiso ? ? H222e .51671 .53560 .79769 .08660 Uiso ? ? H223a .50054 .61163 .72079 .10890 Uiso ? ? H223e .64298 .59069 .70983 .10890 Uiso ? ? H224a .59468 .56043 .57558 .10850 Uiso ? ? H224e .54903 .61836 .57859 .10850 Uiso ? ? H225a .33492 .59290 .59256 .12430 Uiso ? ? H225e .39186 .56533 .51204 .12430 Uiso ? ? H226a .42501 .48950 .59017 .09550 Uiso ? ? H226e .27752 .50518 .59542 .09550 Uiso ? ? H231 .01915 .52852 .78373 .09910 Uiso ? ? H232a .07656 .53792 .60606 .12260 Uiso ? ? H232e .02527 .58483 .65959 .12260 Uiso ? ? H233a -.17699 .54286 .67882 .16600 Uiso ? ? H233e -.15050 .54583 .58068 .16600 Uiso ? ? H234a -.08731 .46029 .57972 .13650 Uiso ? ? H234e -.22706 .46405 .61893 .13650 Uiso ? ? H235a -.13947 .45938 .75411 .12590 Uiso ? ? H235e -.09337 .41111 .70178 .12590 Uiso ? ? H236a .11281 .45240 .67808 .12740 Uiso ? ? H236e .09029 .44702 .77638 .12740 Uiso ? ? loop_ _atom_site_aniso_label #ActaC _atom_site_aniso_U_11 #ActaC _atom_site_aniso_U_22 #ActaC _atom_site_aniso_U_33 #ActaC _atom_site_aniso_U_12 #ActaC _atom_site_aniso_U_13 #ActaC _atom_site_aniso_U_23 #ActaC Ag1 .0512(9) .0401(8) .0542(10) .0022(7) .0021(7) .0076(8) Ag2 .0512(10) .0678(11) .0690(11) .0005(8) .0022(8) -.0023(9) C1 .066(13) .030(10) .042(11) .003(10) -.011(11) -.000(8) N1 .045(10) .080(12) .056(10) .001(10) -.006(9) -.006(9) C2 .044(12) .059(13) .073(14) .003(12) .024(11) .015(11) N2 .076(13) .048(11) .115(15) .004(11) .032(12) .024(10) As1 .0461(12) .0368(10) .0404(11) .0029(9) .0034(9) .0025(9) C111 .070(14) .044(12) .073(14) .003(10) -.013(11) .022(11) C112 .11(2) .043(13) .17(2) .020(14) .009(18) .057(15) C113 .041(13) .15(2) .11(2) -.031(15) .039(13) .003(18) C114 .09(2) .09(2) .19(3) -.007(15) .09(2) .04(2) C115 .083(17) .073(16) .099(18) -.024(14) .011(14) .014(14) C116 .092(17) .061(14) .067(15) .007(12) .023(13) .005(11) C121 .072(14) .056(13) .042(12) .005(10) .009(10) -.010(10) C122 .091(17) .057(13) .073(16) .014(12) -.031(13) -.014(12) C123 .13(2) .081(17) .046(14) .019(15) .023(13) -.024(13) C124 .15(2) .070(16) .08(2) -.013(16) .060(17) -.034(14) C125 .091(18) .072(16) .12(2) .060(13) .004(15) -.012(14) C126 .098(17) .073(15) .059(14) .027(13) .012(12) .008(12) C131 .045(12) .047(12) .071(14) -.000(10) .010(10) -.008(10) C132 .097(18) .055(13) .067(15) .016(12) -.012(13) .003(11) C133 .061(14) .075(15) .076(16) .010(12) -.022(12) -.003(12) C134 .046(12) .095(17) .078(15) -.006(12) .011(11) -.024(13) C135 .16(2) .061(15) .065(16) .007(15) -.025(16) -.020(12) C136 .061(13) .069(14) .059(14) .000(11) -.016(11) -.012(11) As2 .0513(12) .0350(10) .0420(12) .0011(9) -.0015(9) .0013(9) C211 .093(16) .048(12) .059(14) .017(11) -.005(12) -.006(10) C212 .21(3) .083(18) .073(18) .067(18) .046(18) .019(14) C213 .13(2) .077(17) .063(16) .022(15) .020(14) -.002(13) C214 .096(18) .12(2) .070(17) .020(17) .021(14) .023(16) C215 .15(2) .083(18) .09(2) .032(17) -.028(17) .046(15) C216 .12(2) .073(15) .059(14) .033(14) -.020(13) -.002(12) C221 .053(12) .074(14) .036(11) .013(10) -.000(10) -.012(10) C222 .072(15) .114(18) .025(11) .019(14) -.005(10) .004(12) C223 .095(18) .071(16) .09(2) .000(13) -.000(16) -.030(14) C224 .074(17) .10(2) .085(18) -.007(14) .014(14) .027(15) C225 .16(3) .10(2) .035(13) .066(19) -.017(15) .014(13) C226 .076(15) .101(17) .057(14) .041(13) -.029(12) -.021(13) C231 .11(2) .051(14) .078(17) .004(13) .002(14) .007(12) C232 .063(16) .070(15) .16(2) -.029(13) -.038(15) .025(16) C233 .13(3) .14(3) .13(2) -.01(2) -.03(2) .03(2) C234 .12(2) .10(2) .11(2) -.024(18) -.022(18) -.027(18) C235 .13(2) .089(17) .086(18) -.087(16) -.003(16) .013(14) C236 .13(2) .093(19) .082(17) -.037(17) -.019(16) .004(15) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details sfls:_F____sigma_weight______full_matrix _refine_ls_structure_factor_coef F #ActaC _refine_ls_matrix_type full #ActaC _refine_ls_weighting_scheme sigma #ActaC _refine_ls_hydrogen_treatment ? #ActaC _refine_ls_extinction_method none #ActaC _refine_ls_extinction_coef .00000 #ActaC _refine_ls_extinction_expression ? _refine_ls_abs_structure_details none #ActaC _refine_ls_abs_structure_Flack 0 #ActaC _refine_ls_number_reflns 2858 #ActaC _refine_ls_number_parameters 397 #ActaC _refine_ls_number_restraints 0 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .128 #ActaC _refine_ls_R_factor_obs .058 #ActaC _refine_ls_wR_factor_all .072 #ActaC _refine_ls_wR_factor_obs .058 #ActaC _refine_ls_goodness_of_fit_all 1.348 #ActaC _refine_ls_goodness_of_fit_obs 1.681 #ActaC _refine_ls_shift/esd_max .017 #ActaC _refine_ls_shift/esd_mean .001 #ActaC _refine_diff_density_min -.637 #ActaC _refine_diff_density_max .67 #ActaC _geom_special_details ? #ActaC loop_ _geom_bond_atom_site_label_1 #ActaC _geom_bond_atom_site_label_2 #ActaC _geom_bond_distance #ActaC _geom_bond_site_symmetry_1 #ActaC _geom_bond_site_symmetry_2 #ActaC _geom_bond_publ_flag #ActaC Ag1 N1 2.429(14) . . ? Ag1 N2 2.508(16) . 1_455 ? Ag1 As1 2.539(2) . . ? Ag1 As2 2.568(2) . . ? Ag2 C1 2.076(18) . . ? Ag2 C2 2.020(18) . . ? C1 N1 1.11(2) . . ? C2 N2 1.08(2) . . ? As1 C111 1.968(18) . . ? As1 C121 1.952(17) . . ? As1 C131 1.940(17) . . ? C111 C112 1.51(3) . . ? C111 C116 1.50(3) . . ? C111 H111 .958(18) . . ? C112 C113 1.57(3) . . ? C112 H112a .95(2) . . ? C112 H112e .95(2) . . ? C113 C114 1.48(4) . . ? C113 H113a .95(2) . . ? C113 H113e .95(2) . . ? C114 C115 1.43(3) . . ? C114 H114a .94(3) . . ? C114 H114e .95(2) . . ? C115 C116 1.56(3) . . ? C115 H115a .95(2) . . ? C115 H115e .96(2) . . ? C116 H116a .951(19) . . ? C116 H116e .95(2) . . ? C121 C122 1.50(3) . . ? C121 C126 1.50(3) . . ? C121 H121 .961(17) . . ? C122 C123 1.58(3) . . ? C122 H122a .95(2) . . ? C122 H122e .953(18) . . ? C123 C124 1.47(3) . . ? C123 H123a .95(2) . . ? C123 H123e .95(2) . . ? C124 C125 1.54(3) . . ? C124 H124a .95(2) . . ? C124 H124e .95(2) . . ? C125 C126 1.56(3) . . ? C125 H125a .95(2) . . ? C125 H125e .95(2) . . ? C126 H126a .95(2) . . ? C126 H126e .953(18) . . ? C131 C132 1.52(3) . . ? C131 C136 1.50(2) . . ? C131 H131 .957(17) . . ? C132 C133 1.60(3) . . ? C132 H132a .952(18) . . ? C132 H132e .953(19) . . ? C133 C134 1.49(3) . . ? C133 H133a .95(2) . . ? C133 H133e .954(18) . . ? C134 C135 1.49(3) . . ? C134 H134a .95(2) . . ? C134 H134e .954(19) . . ? C135 C136 1.54(3) . . ? C135 H135a .95(2) . . ? C135 H135e .95(2) . . ? C136 H136a .954(18) . . ? C136 H136e .955(17) . . ? As2 C211 1.975(18) . . ? As2 C221 1.956(17) . . ? As2 C231 1.93(2) . . ? C211 C212 1.44(3) . . ? C211 C216 1.53(3) . . ? C211 H211 .961(19) . . ? C212 C213 1.54(3) . . ? C212 H212a .94(3) . . ? C212 H212e .95(2) . . ? C213 C214 1.51(3) . . ? C213 H213a .95(2) . . ? C213 H213e .96(2) . . ? C214 C215 1.47(3) . . ? C214 H214a .95(2) . . ? C214 H214e .95(2) . . ? C215 C216 1.54(3) . . ? C215 H215a .94(2) . . ? C215 H215e .95(2) . . ? C216 H216a .95(2) . . ? C216 H216e .95(2) . . ? C221 C222 1.52(3) . . ? C221 C226 1.57(3) . . ? C221 H221 .963(17) . . ? C222 C223 1.53(3) . . ? C222 H222a .95(2) . . ? C222 H222e .953(17) . . ? C223 C224 1.51(3) . . ? C223 H223a .95(2) . . ? C223 H223e .95(2) . . ? C224 C225 1.50(3) . . ? C224 H224a .95(2) . . ? C224 H224e .95(2) . . ? C225 C226 1.53(3) . . ? C225 H225a .95(2) . . ? C225 H225e .950(19) . . ? C226 H226a .95(2) . . ? C226 H226e .953(19) . . ? C231 C232 1.52(3) . . ? C231 C236 1.50(3) . . ? C231 H231 .96(2) . . ? C232 C233 1.56(3) . . ? C232 H232a .95(2) . . ? C232 H232e .95(2) . . ? C233 C234 1.49(4) . . ? C233 H233a .94(3) . . ? C233 H233e .95(3) . . ? C234 C235 1.47(3) . . ? C234 H234a .95(3) . . ? C234 H234e .95(2) . . ? C235 C236 1.57(3) . . ? C235 H235a .95(2) . . ? C235 H235e .96(2) . . ? C236 H236a .95(2) . . ? C236 H236e .95(2) . . ? loop_ _geom_contact_atom_site_label_1 #ActaC _geom_contact_atom_site_label_2 #ActaC _geom_contact_distance #ActaC _geom_contact_site_symmetry_1 #ActaC _geom_contact_site_symmetry_2 #ActaC _geom_contact_publ_flag #ActaC Ag1 C1 3.292(18) . . ? Ag1 C2 3.553(18) . 1_455 ? Ag1 C111 3.835(17) . . ? Ag1 C112 3.84(2) . . ? Ag1 C121 3.652(17) . . ? Ag1 C122 3.779(18) . . ? Ag1 C131 3.844(17) . . ? Ag1 C132 4.09(2) . . ? Ag1 C211 3.692(18) . . ? Ag1 C212 3.77(2) . . ? Ag1 C221 4.084(17) . . ? Ag1 C231 3.64(2) . . ? Ag1 C232 3.75(2) . . ? Ag1 H112e 3.2813(16) . . ? Ag1 H121 3.6973(16) . . ? Ag1 H122e 3.1114(15) . . ? Ag1 H132a 3.5012(15) . . ? Ag1 H136a 3.6477(16) . . ? Ag1 H211 3.7622(15) . . ? Ag1 H212e 3.1127(15) . . ? Ag1 H223a 3.3238(17) . . ? Ag1 H225a 3.5114(15) . . ? Ag1 H231 3.6657(16) . . ? Ag1 H232e 3.0622(14) . . ? Ag2 N1 3.173(14) . . ? Ag2 N2 3.097(16) . . ? Ag2 C116 3.84(2) . 4_565 ? Ag2 C135 4.10(2) . 4_565 ? Ag2 C214 3.97(2) . 3_667 ? Ag2 C215 3.73(2) . 3_667 ? Ag2 C223 3.65(2) . . ? Ag2 H112e 3.4796(16) . . ? Ag2 H116a 3.2049(16) . 4_565 ? Ag2 H116e 3.6384(17) . 4_565 ? Ag2 H131 3.3883(16) . 4_565 ? Ag2 H135a 3.2558(18) . 4_565 ? Ag2 H214e 3.624(2) . 3_667 ? Ag2 H215e 2.8997(16) . 3_667 ? Ag2 H223a 3.2579(16) . . ? Ag2 H223e 3.1928(16) . . ? N1 As1 4.010(15) . . ? N1 As2 3.725(15) . . ? N1 H133a 2.880(15) . 4_565 ? N1 H212e 2.956(15) . . ? N2 As1 3.781(17) 1_455 . ? N2 As2 3.895(16) 1_455 . ? N2 H115e 2.933(17) 1_455 4_465 ? N2 H122e 2.983(16) 1_455 . ? As1 C112 2.87(2) . . ? As1 C116 2.98(2) . . ? As1 C122 2.86(2) . . ? As1 C126 2.97(2) . . ? As1 C132 2.81(2) . . ? As1 C136 2.874(18) . . ? As1 As2 4.860(3) . . ? As1 H111 2.3816(18) . . ? As1 H112a 2.989(2) . . ? As1 H112e 2.940(2) . . ? As1 H116a 3.0862(18) . . ? As1 H116e 3.1170(19) . . ? As1 H121 2.3687(18) . . ? As1 H122a 3.0601(18) . . ? As1 H122e 2.8915(18) . . ? As1 H126a 3.162(2) . . ? As1 H126e 3.0581(18) . . ? As1 H131 2.4229(18) . . ? As1 H132a 2.8696(18) . . ? As1 H132e 2.959(2) . . ? As1 H136a 2.9381(18) . . ? As1 H136e 3.0305(18) . . ? C111 C113 2.58(3) . . ? C111 C114 2.93(3) . . ? C111 C115 2.56(3) . . ? C111 C121 3.07(3) . . ? C111 C131 3.16(2) . . ? C111 H112a 2.024(17) . . ? C111 H112e 2.029(17) . . ? C111 H113a 2.834(18) . . ? C111 H115a 2.815(17) . . ? C111 H116a 2.019(18) . . ? C111 H116e 2.024(17) . . ? C112 C114 2.49(3) . . ? C112 C115 2.91(3) . . ? C112 C116 2.48(3) . . ? C112 H111 2.06(2) . . ? C112 H113a 2.09(2) . . ? C112 H113e 2.08(2) . . ? C112 H114a 2.69(2) . . ? C112 H116a 2.73(2) . . ? C113 C115 2.47(3) . . ? C113 C116 2.94(3) . . ? C113 H111 2.80(2) . . ? C113 H112a 2.07(2) . . ? C113 H112e 2.07(2) . . ? C113 H114a 1.99(2) . . ? C113 H114e 1.99(2) . . ? C113 H115a 2.72(3) . . ? C114 C116 2.48(3) . . ? C114 H112a 2.72(2) . . ? C114 H113a 2.01(3) . . ? C114 H113e 2.00(3) . . ? C114 H115a 1.97(2) . . ? C114 H115e 1.96(2) . . ? C114 H116a 2.74(2) . . ? C115 H111 2.72(2) . . ? C115 H113a 2.73(2) . . ? C115 H114a 1.94(2) . . ? C115 H114e 1.94(2) . . ? C115 H116a 2.07(2) . . ? C115 H116e 2.08(2) . . ? C116 H111 1.958(19) . . ? C116 H112a 2.717(18) . . ? C116 H114a 2.68(2) . . ? C116 H115a 2.08(2) . . ? C116 H115e 2.08(2) . . ? C121 C123 2.54(3) . . ? C121 C124 2.97(3) . . ? C121 C125 2.53(3) . . ? C121 C131 3.03(2) . . ? C121 H111 2.892(18) . . ? C121 H122a 2.020(17) . . ? C121 H122e 2.027(17) . . ? C121 H123a 2.768(18) . . ? C121 H125a 2.772(17) . . ? C121 H126a 2.023(17) . . ? C121 H126e 2.030(17) . . ? C121 H132e 2.834(17) . . ? C122 C124 2.56(3) . . ? C122 C125 2.96(3) . . ? C122 C126 2.50(3) . . ? C122 H121 2.02(2) . . ? C122 H123a 2.09(2) . . ? C122 H123e 2.09(2) . . ? C122 H124a 2.812(18) . . ? C122 H126a 2.73(2) . . ? C123 C125 2.51(3) . . ? C123 C126 2.96(3) . . ? C123 H121 2.67(2) . . ? C123 H122a 2.10(2) . . ? C123 H122e 2.10(2) . . ? C123 H124a 1.99(2) . . ? C123 H124e 1.99(2) . . ? C123 H125a 2.78(2) . . ? C124 C126 2.59(3) . . ? C124 H122a 2.81(2) . . ? C124 H123a 1.99(2) . . ? C124 H123e 1.99(2) . . ? C124 H125a 2.05(2) . . ? C124 H125e 2.05(2) . . ? C124 H126a 2.84(2) . . ? C125 H121 2.59(2) . . ? C125 H123a 2.76(2) . . ? C125 H124a 2.05(2) . . ? C125 H124e 2.05(2) . . ? C125 H126a 2.08(2) . . ? C125 H126e 2.08(2) . . ? C126 H121 1.93(2) . . ? C126 H122a 2.730(18) . . ? C126 H124a 2.851(18) . . ? C126 H125a 2.07(2) . . ? C126 H125e 2.07(2) . . ? C131 C133 2.57(3) . . ? C131 C134 3.01(3) . . ? C131 C135 2.53(3) . . ? C131 H132a 2.037(17) . . ? C131 H132e 2.041(17) . . ? C131 H133a 2.787(17) . . ? C131 H135a 2.718(17) . . ? C131 H136a 2.023(16) . . ? C131 H136e 2.027(17) . . ? C132 C134 2.57(3) . . ? C132 C135 2.91(3) . . ? C132 C136 2.47(3) . . ? C132 H121 2.863(19) . . ? C132 H131 2.06(2) . . ? C132 H133a 2.11(2) . . ? C132 H133e 2.12(2) . . ? C132 H134a 2.768(18) . . ? C132 H136a 2.69(2) . . ? C133 C135 2.41(3) . . ? C133 C136 2.90(3) . . ? C133 H131 2.803(19) . . ? C133 H132a 2.12(2) . . ? C133 H132e 2.12(2) . . ? C133 H134a 2.020(19) . . ? C133 H134e 2.02(2) . . ? C133 H135a 2.580(19) . . ? C134 C136 2.52(3) . . ? C134 H132a 2.793(19) . . ? C134 H133a 2.01(2) . . ? C134 H133e 2.009(19) . . ? C134 H135a 2.01(2) . . ? C134 H135e 2.007(19) . . ? C134 H136a 2.725(18) . . ? C135 H131 2.72(2) . . ? C135 H133a 2.60(2) . . ? C135 H134a 2.02(2) . . ? C135 H134e 2.03(2) . . ? C135 H136a 2.06(2) . . ? C135 H136e 2.06(2) . . ? C136 H131 1.998(18) . . ? C136 H132a 2.714(18) . . ? C136 H134a 2.722(18) . . ? C136 H135a 2.051(18) . . ? C136 H135e 2.055(18) . . ? As2 C212 2.86(2) . . ? As2 C216 3.00(2) . . ? As2 C222 2.90(2) . . ? As2 C223 3.52(2) . . ? As2 C225 3.53(2) . . ? As2 C226 2.97(2) . . ? As2 C232 2.84(2) . . ? As2 C236 2.98(2) . . ? As2 H211 2.3824(18) . . ? As2 H212a 2.9948(19) . . ? As2 H212e 2.9012(18) . . ? As2 H216a 3.1495(18) . . ? As2 H216e 3.1182(18) . . ? As2 H221 2.3610(18) . . ? As2 H222a 3.715(2) . . ? As2 H222e 2.900(2) . . ? As2 H223a 3.183(2) . . ? As2 H225a 3.1438(18) . . ? As2 H226a 3.7890(19) . . ? As2 H226e 3.0316(18) . . ? As2 H231 2.295(2) . . ? As2 H232a 3.0519(18) . . ? As2 H232e 2.8672(19) . . ? As2 H236a 3.1961(18) . . ? As2 H236e 3.0787(19) . . ? C211 C213 2.52(3) . . ? C211 C214 2.93(3) . . ? C211 C215 2.52(3) . . ? C211 C221 2.99(2) . . ? C211 C231 3.13(3) . . ? C211 H212a 1.95(2) . . ? C211 H212e 1.953(18) . . ? C211 H213a 2.807(18) . . ? C211 H215a 2.770(18) . . ? C211 H216a 2.046(18) . . ? C211 H216e 2.055(18) . . ? C212 C214 2.52(3) . . ? C212 C215 2.89(3) . . ? C212 C216 2.50(3) . . ? C212 H211 1.95(3) . . ? C212 H213a 2.07(2) . . ? C212 H213e 2.06(2) . . ? C212 H214a 2.77(2) . . ? C212 H216a 2.79(2) . . ? C213 C215 2.48(3) . . ? C213 C216 2.96(3) . . ? C213 H211 2.68(2) . . ? C213 H212a 2.04(2) . . ? C213 H212e 2.05(2) . . ? C213 H214a 2.03(2) . . ? C213 H214e 2.03(2) . . ? C213 H215a 2.70(2) . . ? C214 C216 2.53(3) . . ? C214 H212a 2.77(2) . . ? C214 H213a 2.04(2) . . ? C214 H213e 2.04(2) . . ? C214 H215a 1.98(2) . . ? C214 H215e 1.98(2) . . ? C214 H216a 2.80(2) . . ? C215 H211 2.63(2) . . ? C215 H213a 2.75(2) . . ? C215 H214a 2.00(2) . . ? C215 H214e 1.99(2) . . ? C215 H216a 2.06(2) . . ? C215 H216e 2.06(2) . . ? C216 H211 1.94(2) . . ? C216 H212a 2.75(2) . . ? C216 H214a 2.77(2) . . ? C216 H215a 2.04(2) . . ? C216 H215e 2.05(2) . . ? C216 H221 2.74(2) . . ? C221 C223 2.59(3) . . ? C221 C224 3.01(3) . . ? C221 C225 2.60(3) . . ? C221 C231 3.09(3) . . ? C221 H216e 2.790(16) . . ? C221 H222a 2.026(17) . . ? C221 H222e 2.024(17) . . ? C221 H223a 2.830(17) . . ? C221 H225a 2.799(17) . . ? C221 H226a 2.078(16) . . ? C221 H226e 2.077(16) . . ? C222 C224 2.51(3) . . ? C222 C225 2.93(3) . . ? C222 C226 2.46(3) . . ? C222 H221 2.08(2) . . ? C222 H223a 2.05(2) . . ? C222 H223e 2.05(2) . . ? C222 H224a 2.742(17) . . ? C222 H226a 2.661(18) . . ? C223 C225 2.51(3) . . ? C223 C226 2.91(3) . . ? C223 H222a 2.04(2) . . ? C223 H222e 2.04(2) . . ? C223 H224a 2.03(2) . . ? C223 H224e 2.03(2) . . ? C223 H225a 2.73(2) . . ? C224 C226 2.47(3) . . ? C224 H222a 2.74(2) . . ? C224 H223a 2.03(2) . . ? C224 H223e 2.04(2) . . ? C224 H225a 2.02(2) . . ? C224 H225e 2.02(2) . . ? C224 H226a 2.65(2) . . ? C225 H223a 2.75(2) . . ? C225 H224a 2.02(3) . . ? C225 H224e 2.02(3) . . ? C225 H226a 2.04(2) . . ? C225 H226e 2.03(2) . . ? C226 H221 2.10(2) . . ? C226 H222a 2.669(19) . . ? C226 H224a 2.68(2) . . ? C226 H225a 2.05(2) . . ? C226 H225e 2.05(2) . . ? C231 C233 2.52(3) . . ? C231 C234 2.96(3) . . ? C231 C235 2.51(3) . . ? C231 H232a 2.03(2) . . ? C231 H232e 2.04(2) . . ? C231 H233a 2.71(2) . . ? C231 H235a 2.69(2) . . ? C231 H236a 2.02(2) . . ? C231 H236e 2.02(2) . . ? C232 C234 2.53(3) . . ? C232 C235 2.90(3) . . ? C232 C236 2.46(3) . . ? C232 H231 2.10(3) . . ? C232 H233a 2.07(2) . . ? C232 H233e 2.07(2) . . ? C232 H234a 2.74(2) . . ? C232 H236a 2.63(2) . . ? C233 C235 2.42(4) . . ? C233 C236 2.89(4) . . ? C233 H231 2.73(3) . . ? C233 H232a 2.09(3) . . ? C233 H232e 2.08(3) . . ? C233 H234a 2.03(3) . . ? C233 H234e 2.02(3) . . ? C233 H235a 2.62(3) . . ? C234 C236 2.51(3) . . ? C234 H232a 2.75(3) . . ? C234 H233a 2.00(3) . . ? C234 H233e 2.00(3) . . ? C234 H235a 2.01(3) . . ? C234 H235e 2.01(3) . . ? C234 H236a 2.70(2) . . ? C235 H231 2.60(2) . . ? C235 H233a 2.61(2) . . ? C235 H234a 2.00(2) . . ? C235 H234e 1.99(2) . . ? C235 H236a 2.09(2) . . ? C235 H236e 2.09(2) . . ? C236 H231 1.94(2) . . ? C236 H232a 2.65(2) . . ? C236 H234a 2.69(2) . . ? C236 H235a 2.08(2) . . ? C236 H235e 2.08(2) . . ? H111 H112e 2.3319(7) . . ? H111 H116e 2.1835(4) . . ? H111 H122a 2.4757(5) . . ? H112a H112e 1.5511(4) . . ? H112a H113e 2.3141(8) . . ? H112a H114a 2.5873(5) . . ? H112e H113a 2.3197(6) . . ? H112e H113e 2.4021(7) . . ? H113a H113e 1.5514(3) . . ? H113a H114e 2.2388(5) . . ? H113e H114a 2.2287(4) . . ? H113e H114e 2.3030(7) . . ? H113e H132e 2.5117(9) . 1_655 ? H114a H114e 1.5513(3) . . ? H114a H115e 2.1815(6) . . ? H114e H115a 2.1890(6) . . ? H114e H115e 2.2524(6) . . ? H115a H115e 1.5514(4) . . ? H115a H116e 2.3118(8) . . ? H115e H116a 2.3099(6) . . ? H115e H116e 2.3984(7) . . ? H116a H116e 1.5513(3) . . ? H116a H131 2.5505(9) . . ? H116a H136e 2.4364(7) . . ? H116e H126a 2.3267(6) . . ? H121 H122e 2.3312(5) . . ? H121 H123a 2.5576(6) . . ? H121 H125a 2.4879(7) . . ? H121 H126e 2.1988(5) . . ? H121 H132e 2.2489(5) . . ? H122a H122e 1.5513(4) . . ? H122a H123e 2.3395(5) . . ? H122a H134e 2.5463(8) . 4_565 ? H122e H123a 2.3346(7) . . ? H122e H123e 2.4076(5) . . ? H123a H123e 1.5512(4) . . ? H123a H124e 2.2116(7) . . ? H123a H136e 2.4625(6) . 4_465 ? H123e H124a 2.2132(5) . . ? H123e H124e 2.3206(5) . . ? H123e H224e 2.4849(5) . 4_465 ? H124a H124e 1.5513(6) . . ? H124a H125e 2.2729(5) . . ? H124a H226a 2.5924(8) . 2_556 ? H124e H125a 2.2719(5) . . ? H124e H125e 2.3829(6) . . ? H124e H225e 2.4777(5) . 4_465 ? H124e H234e 2.5840(7) . 2_456 ? H125a H125e 1.5513(4) . . ? H125a H126e 2.3073(5) . . ? H125e H126a 2.3113(7) . . ? H125e H126e 2.3994(5) . . ? H126a H126e 1.5513(4) . . ? H126e H131 2.4509(5) . . ? H126e H132e 2.5835(8) . . ? H131 H132e 2.3217(6) . . ? H131 H135a 2.5664(6) . . ? H131 H136e 2.2471(6) . . ? H132a H132e 1.5512(5) . . ? H132a H133e 2.3795(5) . . ? H132a H136a 2.5912(8) . . ? H132a H232e 2.4986(8) . . ? H132e H133a 2.3771(6) . . ? H132e H133e 2.4174(4) . . ? H133a H133e 1.5512(4) . . ? H133a H134e 2.2838(6) . . ? H133a H135a 2.4091(8) . . ? H133e H134a 2.2908(6) . . ? H133e H134e 2.3164(5) . . ? H134a H134e 1.5513(3) . . ? H134a H135e 2.3001(6) . . ? H134a H136a 2.5803(7) . . ? H134e H135a 2.2920(6) . . ? H134e H135e 2.3049(9) . . ? H135a H135e 1.5515(5) . . ? H135a H136e 2.3296(6) . . ? H135e H136a 2.3313(6) . . ? H135e H136e 2.3371(4) . . ? H135e H235e 2.3414(5) . 3_566 ? H136a H136e 1.5515(4) . . ? H136a H225a 2.4275(6) . . ? H211 H212e 2.1995(6) . . ? H211 H215a 2.5343(5) . . ? H211 H216e 2.1846(7) . . ? H211 H222e 2.3587(6) . . ? H212a H212e 1.5513(4) . . ? H212a H213e 2.2715(6) . . ? H212a H214a 2.4361(10) . 3_567 ? H212a H231 2.5167(6) . . ? H212e H213a 2.2775(4) . . ? H212e H213e 2.3819(5) . . ? H213a H213e 1.5513(6) . . ? H213a H214e 2.2619(7) . . ? H213e H214a 2.2596(8) . . ? H213e H214e 2.3627(6) . . ? H213e H235a 2.5619(7) . 3_567 ? H214a H214e 1.5513(4) . . ? H214a H215e 2.2198(6) . . ? H214e H215a 2.2165(5) . . ? H214e H215e 2.2893(4) . . ? H215a H215a 2.3934(6) . 3_667 ? H215a H215e 1.5515(4) . . ? H215a H216e 2.2758(6) . . ? H215e H216a 2.2817(4) . . ? H215e H216e 2.3792(5) . . ? H216a H216e 1.5513(6) . . ? H216a H236e 2.1343(5) . . ? H216e H221 2.1771(5) . . ? H221 H222a 2.3026(8) . . ? H221 H222e 2.3892(5) . . ? H221 H226a 2.3491(5) . . ? H221 H226e 2.3908(5) . . ? H222a H222e 1.5515(3) . . ? H222a H223e 2.2774(7) . . ? H222a H226a 2.5173(5) . . ? H222e H223a 2.2845(6) . . ? H222e H223e 2.3489(5) . . ? H223a H223e 1.5513(5) . . ? H223a H224e 2.2728(6) . . ? H223e H224a 2.2707(5) . . ? H223e H224e 2.3481(5) . . ? H223e H233a 2.2530(6) . 1_655 ? H224a H224e 1.5512(5) . . ? H224a H225e 2.2744(7) . . ? H224a H226a 2.5104(7) . . ? H224e H225a 2.2789(8) . . ? H224e H225e 2.3249(5) . . ? H225a H225e 1.5514(3) . . ? H225a H226e 2.3155(8) . . ? H225e H226a 2.3078(6) . . ? H225e H226e 2.3264(5) . . ? H226a H226e 1.5513(6) . . ? H226e H232a 2.2105(8) . . ? H226e H236a 2.5099(5) . . ? H231 H232e 2.4056(5) . . ? H231 H233a 2.5826(7) . . ? H231 H235a 2.4291(6) . . ? H231 H236e 2.2064(7) . . ? H232a H232e 1.5511(4) . . ? H232a H233e 2.3403(9) . . ? H232a H236a 2.4792(7) . . ? H232e H233a 2.3362(7) . . ? H232e H233e 2.3708(6) . . ? H233a H233e 1.5514(4) . . ? H233a H234e 2.2724(6) . . ? H233a H235a 2.4591(7) . . ? H233e H234a 2.2770(7) . . ? H233e H234e 2.3083(7) . . ? H234a H234e 1.5513(5) . . ? H234a H235e 2.2744(5) . . ? H234a H236a 2.5339(7) . . ? H234e H235a 2.2724(5) . . ? H234e H235e 2.2981(5) . . ? H235a H235e 1.5513(4) . . ? H235a H236e 2.3726(9) . . ? H235e H236a 2.3739(7) . . ? H235e H236e 2.3670(6) . . ? H236a H236e 1.5513(4) . . ? loop_ _geom_angle_atom_site_label_1 #ActaC _geom_angle_atom_site_label_2 #ActaC _geom_angle_atom_site_label_3 #ActaC _geom_angle #ActaC _geom_angle_site_symmetry_1 #ActaC _geom_angle_site_symmetry_2 #ActaC _geom_angle_site_symmetry_3 #ActaC _geom_angle_publ_flag #ActaC N1 Ag1 N2 108.3(5) . . 1_455 ? N1 Ag1 As1 107.6(4) . . . ? N1 Ag1 As2 96.3(4) . . . ? N2 Ag1 As1 97.1(4) 1_455 . . ? N2 Ag1 As2 100.2(4) 1_455 . . ? As1 Ag1 As2 144.20(8) . . . ? C1 Ag2 C2 177.5(7) . . . ? Ag2 C1 N1 171.1(15) . . . ? Ag1 N1 C1 133.8(13) . . . ? Ag2 C2 N2 178.1(18) . . . ? Ag1 N2 C2 163.3(17) . 1_455 1_455 ? Ag1 As1 C111 116.0(5) . . . ? Ag1 As1 C121 108.1(5) . . . ? Ag1 As1 C131 117.6(5) . . . ? C111 As1 C121 103.0(7) . . . ? C111 As1 C131 107.8(7) . . . ? C121 As1 C131 102.3(7) . . . ? As1 C111 C112 110.5(12) . . . ? As1 C111 C116 117.4(13) . . . ? As1 C111 H111 103.5(13) . . . ? C112 C111 C116 110.6(16) . . . ? C112 C111 H111 111.2(17) . . . ? C116 C111 H111 103.1(15) . . . ? C111 C112 C113 113.6(16) . . . ? C111 C112 H112a 108(2) . . . ? C111 C112 H112e 109(2) . . . ? C113 C112 H112a 109(2) . . . ? C113 C112 H112e 108(2) . . . ? H112a C112 H112e 109.5(18) . . . ? C112 C113 C114 109.4(17) . . . ? C112 C113 H113a 109.8(19) . . . ? C112 C113 H113e 109(2) . . . ? C114 C113 H113a 110(2) . . . ? C114 C113 H113e 109(2) . . . ? H113a C113 H113e 110(2) . . . ? C113 C114 C115 116(2) . . . ? C113 C114 H114a 108(2) . . . ? C113 C114 H114e 108(2) . . . ? C115 C114 H114a 108(2) . . . ? C115 C114 H114e 107(2) . . . ? H114a C114 H114e 110(3) . . . ? C114 C115 C116 111.8(17) . . . ? C114 C115 H115a 110(2) . . . ? C114 C115 H115e 109(2) . . . ? C116 C115 H115a 108.8(19) . . . ? C116 C115 H115e 108.8(18) . . . ? H115a C115 H115e 109(2) . . . ? C111 C116 C115 113.1(16) . . . ? C111 C116 H116a 108.5(16) . . . ? C111 C116 H116e 108.8(17) . . . ? C115 C116 H116a 108.6(17) . . . ? C115 C116 H116e 108.8(16) . . . ? H116a C116 H116e 109(2) . . . ? As1 C121 C122 111.4(12) . . . ? As1 C121 C126 118.0(12) . . . ? As1 C121 H121 103.5(12) . . . ? C122 C121 C126 113.3(15) . . . ? C122 C121 H121 108.5(16) . . . ? C126 C121 H121 100.7(15) . . . ? C121 C122 C123 110.8(15) . . . ? C121 C122 H122a 109.1(17) . . . ? C121 C122 H122e 109.6(16) . . . ? C123 C122 H122a 109.2(17) . . . ? C123 C122 H122e 109.2(18) . . . ? H122a C122 H122e 109(2) . . . ? C122 C123 C124 113.7(17) . . . ? C122 C123 H123a 108.3(18) . . . ? C122 C123 H123e 108(2) . . . ? C124 C123 H123a 109(2) . . . ? C124 C123 H123e 108(2) . . . ? H123a C123 H123e 109(2) . . . ? C123 C124 C125 112.6(17) . . . ? C123 C124 H124a 109(2) . . . ? C123 C124 H124e 109(2) . . . ? C125 C124 H124a 109(2) . . . ? C125 C124 H124e 109(2) . . . ? H124a C124 H124e 109(2) . . . ? C124 C125 C126 113.3(17) . . . ? C124 C125 H125a 109(2) . . . ? C124 C125 H125e 108.5(19) . . . ? C126 C125 H125a 108.3(18) . . . ? C126 C125 H125e 108(2) . . . ? H125a C125 H125e 109(2) . . . ? C121 C126 C125 111.1(15) . . . ? C121 C126 H126a 108.9(17) . . . ? C121 C126 H126e 109.5(17) . . . ? C125 C126 H126a 109.2(17) . . . ? C125 C126 H126e 109.3(18) . . . ? H126a C126 H126e 108.9(18) . . . ? As1 C131 C132 108.4(12) . . . ? As1 C131 C136 112.5(12) . . . ? As1 C131 H131 108.7(12) . . . ? C132 C131 C136 110.0(14) . . . ? C132 C131 H131 110.7(15) . . . ? C136 C131 H131 106.5(15) . . . ? C131 C132 C133 111.1(15) . . . ? C131 C132 H132a 109.2(18) . . . ? C131 C132 H132e 109.5(16) . . . ? C133 C132 H132a 109.0(16) . . . ? C133 C132 H132e 109.1(17) . . . ? H132a C132 H132e 109(2) . . . ? C132 C133 C134 112.4(15) . . . ? C132 C133 H133a 108.8(16) . . . ? C132 C133 H133e 109.0(17) . . . ? C134 C133 H133a 108.7(18) . . . ? C134 C133 H133e 108.9(17) . . . ? H133a C133 H133e 109.0(18) . . . ? C133 C134 C135 107.9(16) . . . ? C133 C134 H134a 109.9(17) . . . ? C133 C134 H134e 110.1(17) . . . ? C135 C134 H134a 110.0(17) . . . ? C135 C134 H134e 110.0(17) . . . ? H134a C134 H134e 109(2) . . . ? C134 C135 C136 112.8(16) . . . ? C134 C135 H135a 108(2) . . . ? C134 C135 H135e 108.7(18) . . . ? C136 C135 H135a 108.6(18) . . . ? C136 C135 H135e 109(2) . . . ? H135a C135 H135e 109(2) . . . ? C131 C136 C135 112.4(15) . . . ? C131 C136 H136a 108.8(16) . . . ? C131 C136 H136e 109.1(16) . . . ? C135 C136 H136a 108.9(16) . . . ? C135 C136 H136e 108.9(17) . . . ? H136a C136 H136e 108.7(17) . . . ? Ag1 As2 C211 108.0(5) . . . ? Ag1 As2 C221 128.5(5) . . . ? Ag1 As2 C231 107.2(6) . . . ? C211 As2 C221 99.3(7) . . . ? C211 As2 C231 106.9(8) . . . ? C221 As2 C231 105.3(8) . . . ? As2 C211 C212 112.8(14) . . . ? As2 C211 C216 117.1(13) . . . ? As2 C211 H211 103.0(13) . . . ? C212 C211 C216 114.7(17) . . . ? C212 C211 H211 106.9(17) . . . ? C216 C211 H211 100.3(16) . . . ? C211 C212 C213 115(2) . . . ? C211 C212 H212a 108(2) . . . ? C211 C212 H212e 108(2) . . . ? C213 C212 H212a 108(2) . . . ? C213 C212 H212e 108(2) . . . ? H212a C212 H212e 110(2) . . . ? C212 C213 C214 111.2(17) . . . ? C212 C213 H213a 110(2) . . . ? C212 C213 H213e 109(2) . . . ? C214 C213 H213a 109(2) . . . ? C214 C213 H213e 109(2) . . . ? H213a C213 H213e 109(2) . . . ? C213 C214 C215 112.4(19) . . . ? C213 C214 H214a 109(2) . . . ? C213 C214 H214e 109(2) . . . ? C215 C214 H214a 109(2) . . . ? C215 C214 H214e 109(2) . . . ? H214a C214 H214e 109(2) . . . ? C214 C215 C216 114(2) . . . ? C214 C215 H215a 108(2) . . . ? C214 C215 H215e 108(2) . . . ? C216 C215 H215a 108(2) . . . ? C216 C215 H215e 108(2) . . . ? H215a C215 H215e 110(2) . . . ? C211 C216 C215 110.8(16) . . . ? C211 C216 H216a 109.0(18) . . . ? C211 C216 H216e 109.7(18) . . . ? C215 C216 H216a 109.4(18) . . . ? C215 C216 H216e 109.0(19) . . . ? H216a C216 H216e 109(2) . . . ? As2 C221 C222 112.5(12) . . . ? As2 C221 C226 114.7(12) . . . ? As2 C221 H221 102.6(12) . . . ? C222 C221 C226 105.6(14) . . . ? C222 C221 H221 112.1(16) . . . ? C226 C221 H221 109.6(15) . . . ? C221 C222 C223 116.0(16) . . . ? C221 C222 H222a 107.8(18) . . . ? C221 C222 H222e 107.6(16) . . . ? C223 C222 H222a 108.1(17) . . . ? C223 C222 H222e 108.2(19) . . . ? H222a C222 H222e 109.0(19) . . . ? C222 C223 C224 111.2(17) . . . ? C222 C223 H223a 109(2) . . . ? C222 C223 H223e 108.8(19) . . . ? C224 C223 H223a 109(2) . . . ? C224 C223 H223e 109(2) . . . ? H223a C223 H223e 109(2) . . . ? C223 C224 C225 113.0(18) . . . ? C223 C224 H224a 109(2) . . . ? C223 C224 H224e 109(2) . . . ? C225 C224 H224a 109(2) . . . ? C225 C224 H224e 109(2) . . . ? H224a C224 H224e 109(2) . . . ? C224 C225 C226 109.4(18) . . . ? C224 C225 H225a 109(2) . . . ? C224 C225 H225e 109(2) . . . ? C226 C225 H225a 110(2) . . . ? C226 C225 H225e 110(2) . . . ? H225a C225 H225e 110(2) . . . ? C221 C226 C225 114.5(16) . . . ? C221 C226 H226a 108.5(17) . . . ? C221 C226 H226e 108.4(17) . . . ? C225 C226 H226a 108.3(18) . . . ? C225 C226 H226e 108.0(19) . . . ? H226a C226 H226e 109(2) . . . ? As2 C231 C232 110.7(14) . . . ? As2 C231 C236 120.2(15) . . . ? As2 C231 H231 99.9(15) . . . ? C232 C231 C236 109.3(17) . . . ? C232 C231 H231 113.9(19) . . . ? C236 C231 H231 102.2(18) . . . ? C231 C232 C233 109.8(19) . . . ? C231 C232 H232a 109.1(19) . . . ? C231 C232 H232e 109(2) . . . ? C233 C232 H232a 110(2) . . . ? C233 C232 H232e 109(2) . . . ? H232a C232 H232e 110(2) . . . ? C232 C233 C234 112(2) . . . ? C232 C233 H233a 109(2) . . . ? C232 C233 H233e 108(2) . . . ? C234 C233 H233a 109(3) . . . ? C234 C233 H233e 108(2) . . . ? H233a C233 H233e 111(3) . . . ? C233 C234 C235 109(2) . . . ? C233 C234 H234a 110(2) . . . ? C233 C234 H234e 109(2) . . . ? C235 C234 H234a 109(2) . . . ? C235 C234 H234e 109(2) . . . ? H234a C234 H234e 110(3) . . . ? C234 C235 C236 111.0(19) . . . ? C234 C235 H235a 110(2) . . . ? C234 C235 H235e 109(2) . . . ? C236 C235 H235a 109(2) . . . ? C236 C235 H235e 108(2) . . . ? H235a C235 H235e 109(2) . . . ? C231 C236 C235 109.6(18) . . . ? C231 C236 H236a 109(2) . . . ? C231 C236 H236e 110(2) . . . ? C235 C236 H236a 109(2) . . . ? C235 C236 H236e 110(2) . . . ? H236a C236 H236e 110(2) . . . ? loop_ _geom_torsion_atom_site_label_1 #ActaC _geom_torsion_atom_site_label_2 #ActaC _geom_torsion_atom_site_label_3 #ActaC _geom_torsion_atom_site_label_4 #ActaC _geom_torsion #ActaC _geom_torsion_site_symmetry_1 #ActaC _geom_torsion_site_symmetry_2 #ActaC _geom_torsion_site_symmetry_3 #ActaC _geom_torsion_site_symmetry_4 #ActaC _geom_torsion_publ_flag #ActaC ? ? ? ? ? ? ? ? ? ? _reflns_limit_h_min 0 _reflns_limit_h_max 11 _reflns_limit_k_min 0 _reflns_limit_k_max 29 _reflns_limit_l_min -17 _reflns_limit_l_max 17 _reflns_number_total 6309 #ActaC _reflns_number_observed 2858 #ActaC _reflns_observed_criterion refl_observed_if_F____>_.000_sigma(F___) _reflns_d_resolution_high .874 _reflns_d_resolution_low 13.228 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 9.4713 #=END data_cnasco _audit_creation_date 97-11-24 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common 'AgCN:As(C6H11)3 (1:1) (beta)' #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum ? #ActaC _chemical_formula_weight ? #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #ActaC _computing_data_reduction xtal_DIFDAT_SORTRF_ADDREF_ABSORB #ActaC _computing_structure_solution xtal #ActaC _computing_structure_refinement xtal_CRYLSQ #ActaC _computing_molecular_graphics xtal #ActaC _computing_publication_material xtal_BONDLA_CIFIO #ActaC _cell_length_a 9.815(3) #ActaC _cell_length_b 17.829(7) #ActaC _cell_length_c 24.216(8) #ActaC _cell_angle_alpha 90.00000 #ActaC _cell_angle_beta 103.63(3) #ActaC _cell_angle_gamma 90.00000 #ActaC _cell_volume 4118(3) #ActaC _cell_formula_units_Z 4 #ActaC _cell_measurement_temperature 293 #ActaC _cell_measurement_reflns_used ? #ActaC _cell_measurement_theta_min ? #ActaC _cell_measurement_theta_max ? #ActaC _cell_special_details #ActaC ; ? ; _symmetry_cell_setting monoclinic #ActaC _symmetry_space_group_name_H-M p_1_21/c_1 #ActaC _symmetry_space_group_name_Hall -p_2ybc #ActaC loop_ _symmetry_equiv_pos_as_xyz #ActaC +x,+y,+z -x,1/2+y,1/2-z -x,-y,-z +x,1/2-y,1/2+z _exptl_crystal_description ? #ActaC _exptl_crystal_preparation ? _exptl_crystal_colour ? #ActaC _exptl_crystal_size_max ? #ActaC _exptl_crystal_size_mid ? #ActaC _exptl_crystal_size_min ? #ActaC _exptl_crystal_density_diffrn 1.478 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 1872 #ActaC _exptl_absorpt_process_details ? _exptl_absorpt_coefficient_mu ? #ActaC _exptl_absorpt_correction_type ? #ActaC _exptl_absorpt_correction_T_min ? #ActaC _exptl_absorpt_correction_T_max ? #ActaC _exptl_special_details #ActaC ; ? ; _diffrn_special_details ; ? ; _diffrn_ambient_temperature 293 #ActaC _diffrn_radiation_wavelength ? #ActaC _diffrn_radiation_type xray_tube #ActaC _diffrn_radiation_source ? #ActaC _diffrn_radiation_monochromator ? #ActaC _diffrn_radiation_detector ? #ActaC _diffrn_measurement_device CAD4 #ActaC _diffrn_measurement_method ? #ActaC _diffrn_standards_number ? #ActaC _diffrn_standards_interval_count ? #ActaC _diffrn_standards_interval_time ? #ActaC _diffrn_standards_decay_% ? #ActaC loop_ _diffrn_standard_refln_index_h #ActaC _diffrn_standard_refln_index_k #ActaC _diffrn_standard_refln_index_l #ActaC ? ? ? loop_ _diffrn_attenuator_code _diffrn_attenuator_scale ? ? _diffrn_reflns_number 7258 #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI .049 #ActaC _diffrn_reflns_limit_h_min 0 #ActaC _diffrn_reflns_limit_h_max 11 #ActaC _diffrn_reflns_limit_k_min 0 #ActaC _diffrn_reflns_limit_k_max 21 #ActaC _diffrn_reflns_limit_l_min -28 #ActaC _diffrn_reflns_limit_l_max 27 #ActaC _diffrn_reflns_theta_min 1.43 #ActaC _diffrn_reflns_theta_max 24.99 #ActaC _diffrn_reflns_reduction_process equatorial_monochr_Lp #ActaC loop_ _atom_type_symbol #ActaC _atom_type_description #ActaC _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real #ActaC _atom_type_scat_dispersion_imag #ActaC _atom_type_scat_source #ActaC C ? 0 152 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 264 0 0 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Ag ? 0 8 -1.085 1.101 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 As ? 0 8 -.03 2.007 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 N ? 0 8 .004 .003 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 loop_ _atom_site_label #ActaC _atom_site_fract_x #ActaC _atom_site_fract_y #ActaC _atom_site_fract_z #ActaC _atom_site_U_iso_or_equiv #ActaC _atom_site_thermal_displace_type #ActaC _atom_site_calc_flag #ActaC _atom_site_calc_attached_atom #ActaC Ag1 .88925(9) .29719(5) .34553(3) .0566(5) Uani ? ? Ag2 1.11916(12) .53217(5) .27201(4) .0811(7) Uani ? ? C1 1.0943(13) .4295(7) .3057(5) .068(8) Uani ? ? N1 1.0718(11) .3754(6) .3251(5) .092(8) Uani ? ? C2 1.1235(16) .6362(7) .2375(5) .091(10) Uani ? ? N2 1.1201(14) .6927(6) .2167(5) .104(9) Uani ? ? As1 .67203(12) .36982(6) .29109(5) .0507(7) Uani ? ? C111 .5094(13) .3067(6) .2539(5) .061(7) Uani ? ? C112 .4921(15) .2425(7) .2927(6) .100(10) Uani ? ? C113 .376(2) .1897(9) .2639(8) .133(15) Uani ? ? C114 .241(2) .2302(13) .2407(8) .142(17) Uani ? ? C115 .2550(16) .2916(12) .2039(7) .135(14) Uani ? ? C116 .3713(14) .3488(8) .2310(6) .084(9) Uani ? ? C121 .7308(12) .4196(6) .2283(5) .062(7) Uani ? ? C122 .7735(17) .3598(8) .1907(5) .105(11) Uani ? ? C123 .8515(18) .3978(8) .1478(6) .109(12) Uani ? ? C124 .7547(19) .4540(11) .1115(6) .115(13) Uani ? ? C125 .7045(15) .5104(9) .1472(7) .103(11) Uani ? ? C126 .6329(14) .4731(7) .1911(6) .092(9) Uani ? ? C131 .5907(12) .4518(6) .3272(4) .060(7) Uani ? ? C132 .6986(13) .5129(7) .3479(5) .073(8) Uani ? ? C133 .6387(17) .5753(7) .3779(7) .109(11) Uani ? ? C134 .5788(19) .5438(9) .4267(6) .110(12) Uani ? ? C135 .4751(17) .4841(9) .4059(6) .112(12) Uani ? ? C136 .5362(14) .4227(7) .3763(5) .083(9) Uani ? ? As2 .98039(12) .24463(6) .44511(5) .0497(6) Uani ? ? C211 1.1828(12) .2317(8) .4714(6) .091(9) Uani ? ? C212 1.2691(17) .2711(14) .4519(9) .21(2) Uani ? ? C213 1.4267(14) .2596(9) .4656(6) .116(12) Uani ? ? C214 1.4732(17) .2159(13) .5220(8) .171(18) Uani ? ? C215 1.3930(16) .1733(10) .5409(8) .147(15) Uani ? ? C216 1.2343(13) .1861(7) .5264(5) .077(8) Uani ? ? C221 .9020(11) .1459(6) .4536(4) .051(6) Uani ? ? C222 .7445(14) .1503(8) .4352(6) .096(10) Uani ? ? C223 .6720(16) .0748(11) .4334(8) .125(14) Uani ? ? C224 .7303(19) .0165(9) .3991(7) .116(12) Uani ? ? C225 .8835(16) .0119(6) .4188(6) .097(10) Uani ? ? C226 .9590(12) .0869(6) .4193(5) .072(8) Uani ? ? C231 .933(2) .3033(8) .5063(6) .139(13) Uani ? ? C232 .929(2) .3794(9) .4984(7) .165(16) Uani ? ? C233 .873(3) .4285(10) .5417(8) .196(19) Uani ? ? C234 .865(3) .3957(14) .5909(10) .23(2) Uani ? ? C235 .870(3) .3212(12) .5993(8) .21(2) Uani ? ? C236 .930(2) .2715(8) .5587(6) .126(13) Uani ? ? H111 .53163 .28683 .22016 .07630 Uiso ? ? H112a .46958 .26287 .32602 .11840 Uiso ? ? H112e .57742 .21532 .30355 .11840 Uiso ? ? H113a .40369 .16551 .23346 .16590 Uiso ? ? H113e .36112 .15374 .29061 .16590 Uiso ? ? H114a .20731 .24915 .27159 .17420 Uiso ? ? H114e .17546 .19550 .21969 .17420 Uiso ? ? H115a .27642 .27195 .17060 .15980 Uiso ? ? H115e .16774 .31748 .19410 .15980 Uiso ? ? H116a .34530 .37477 .26147 .10350 Uiso ? ? H116e .38277 .38472 .20314 .10350 Uiso ? ? H121 .80613 .45154 .24728 .07620 Uiso ? ? H122a .69230 .33429 .17007 .13620 Uiso ? ? H122e .83468 .32432 .21374 .13620 Uiso ? ? H123a .93333 .42255 .16855 .14750 Uiso ? ? H123e .87738 .36037 .12419 .14750 Uiso ? ? H124a .67547 .42809 .08947 .14480 Uiso ? ? H124e .80292 .47848 .08725 .14480 Uiso ? ? H125a .78309 .53915 .16730 .12890 Uiso ? ? H125e .63991 .54321 .12339 .12890 Uiso ? ? H126a .55190 .44603 .17129 .11610 Uiso ? ? H126e .60422 .51056 .21400 .11610 Uiso ? ? H131 .51394 .47308 .29962 .07900 Uiso ? ? H132a .77826 .49141 .37369 .09150 Uiso ? ? H132e .72913 .53342 .31634 .09150 Uiso ? ? H133a .56592 .59983 .35116 .14050 Uiso ? ? H133e .71067 .61057 .39310 .14050 Uiso ? ? H134a .65315 .52386 .45538 .14270 Uiso ? ? H134e .53443 .58329 .44237 .14270 Uiso ? ? H135a .39675 .50519 .37994 .14620 Uiso ? ? H135e .44548 .46330 .43736 .14620 Uiso ? ? H136a .61187 .39949 .40300 .11010 Uiso ? ? H136e .46577 .38582 .36276 .11010 Uiso ? ? H211 1.18630 .18975 .44715 .11190 Uiso ? ? H212a 1.25626 .32024 .46299 .26380 Uiso ? ? H212e 1.24064 .26565 .41199 .26380 Uiso ? ? H213a 1.45275 .23356 .43543 .14540 Uiso ? ? H213e 1.47169 .30756 .47011 .14540 Uiso ? ? H214a 1.51061 .25050 .54951 .21590 Uiso ? ? H214e 1.54513 .18238 .51535 .21590 Uiso ? ? H215a 1.40823 .12431 .53127 .17390 Uiso ? ? H215e 1.42248 .17976 .58167 .17390 Uiso ? ? H216a 1.20803 .21184 .55690 .09440 Uiso ? ? H216e 1.18934 .13803 .52199 .09440 Uiso ? ? H221 .92851 .13056 .49271 .06320 Uiso ? ? H222a .72023 .17217 .39831 .11770 Uiso ? ? H222e .71153 .18195 .46104 .11770 Uiso ? ? H223a .68322 .05682 .47084 .14930 Uiso ? ? H223e .57504 .08118 .41616 .14930 Uiso ? ? H224a .70717 .02986 .36001 .13210 Uiso ? ? H224e .69114 -.03127 .40362 .13210 Uiso ? ? H225a .90614 -.00744 .45651 .11330 Uiso ? ? H225e .91825 -.02177 .39466 .11330 Uiso ? ? H226a .94619 .10446 .38102 .09350 Uiso ? ? H226e 1.05698 .08024 .43497 .09350 Uiso ? ? H231 .83485 .29654 .49171 .18080 Uiso ? ? H232a 1.01849 .39522 .49840 .22220 Uiso ? ? H232e .86615 .38785 .46209 .22220 Uiso ? ? H233a .78283 .44520 .52317 .24090 Uiso ? ? H233e .93576 .46950 .55021 .24090 Uiso ? ? H234a .94019 .41685 .61815 .29650 Uiso ? ? H234e .77857 .41155 .59671 .29650 Uiso ? ? H235a .77931 .30587 .59717 .28330 Uiso ? ? H235e .92846 .31472 .63611 .28330 Uiso ? ? H236a 1.02493 .25842 .57761 .15940 Uiso ? ? H236e .87584 .22697 .55248 .15940 Uiso ? ? loop_ _atom_site_aniso_label #ActaC _atom_site_aniso_U_11 #ActaC _atom_site_aniso_U_22 #ActaC _atom_site_aniso_U_33 #ActaC _atom_site_aniso_U_12 #ActaC _atom_site_aniso_U_13 #ActaC _atom_site_aniso_U_23 #ActaC Ag1 .0666(7) .0501(5) .0511(6) .0063(5) .0099(5) .0074(5) Ag2 .1113(9) .0594(6) .0686(7) -.0153(6) .0132(6) .0150(5) C1 .062(9) .065(8) .073(9) -.009(7) .007(7) .021(7) N1 .085(9) .085(8) .096(9) -.015(7) .001(7) .029(7) C2 .146(14) .061(9) .058(9) -.020(10) .009(9) .004(7) N2 .180(13) .062(7) .072(8) -.012(9) .035(8) .002(7) As1 .0582(8) .0473(7) .0439(7) .0069(6) .0065(6) .0019(6) C111 .073(9) .054(7) .057(7) -.019(7) .016(7) -.007(6) C112 .109(13) .063(9) .118(13) -.022(9) .006(10) .008(9) C113 .17(2) .095(14) .138(16) -.051(14) .042(15) -.017(12) C114 .128(18) .17(2) .130(17) -.059(15) .026(15) -.002(14) C115 .067(11) .20(2) .113(14) -.038(13) -.021(10) .007(14) C116 .057(9) .103(11) .090(10) -.023(8) .014(8) .003(9) C121 .076(9) .049(7) .055(7) .013(7) .005(7) -.004(6) C122 .166(15) .107(11) .053(8) -.042(11) .046(9) -.020(8) C123 .175(17) .098(11) .080(11) .009(11) .085(11) .006(9) C124 .134(16) .145(16) .073(11) -.043(13) .039(11) .011(11) C125 .097(12) .109(12) .105(12) .017(10) .029(10) .070(10) C126 .090(11) .081(10) .104(11) .022(8) .021(9) .030(9) C131 .074(9) .060(8) .050(7) .007(7) .021(7) -.007(6) C132 .079(10) .064(8) .076(9) .000(7) .015(8) -.006(7) C133 .146(15) .073(10) .116(13) .001(10) .046(12) -.025(9) C134 .159(17) .088(11) .098(12) .013(11) .058(12) -.020(10) C135 .136(15) .105(13) .110(13) -.001(11) .058(12) -.016(10) C136 .113(12) .070(9) .076(9) .002(8) .039(9) -.004(8) As2 .0534(8) .0489(7) .0459(7) .0032(6) .0096(6) .0066(6) C211 .030(8) .121(12) .113(11) -.026(7) .000(8) .060(9) C212 .060(12) .37(3) .21(2) .080(16) .051(13) .20(2) C213 .064(10) .175(16) .114(13) -.003(10) .032(9) .071(12) C214 .058(12) .28(3) .17(2) .014(15) .021(12) .110(19) C215 .039(10) .193(19) .19(2) -.020(11) -.009(11) .102(15) C216 .065(9) .089(10) .072(9) .002(8) .005(7) .024(7) C221 .047(8) .056(7) .048(7) .004(6) .007(6) .010(6) C222 .060(10) .094(11) .130(13) -.005(8) .015(9) .008(10) C223 .070(12) .133(16) .157(17) -.036(11) -.001(11) .007(13) C224 .104(14) .106(14) .112(13) -.054(11) -.023(11) .018(11) C225 .095(12) .044(8) .132(13) -.018(8) -.011(10) -.011(8) C226 .069(9) .058(8) .095(10) .006(7) .028(8) .008(7) C231 .32(3) .060(9) .054(9) .023(13) .068(12) .008(8) C232 .35(3) .075(11) .104(13) .048(15) .113(16) .003(10) C233 .37(3) .108(15) .090(14) .089(18) .02(2) -.014(12) C234 .41(4) .15(2) .12(2) .11(3) .07(2) -.033(18) C235 .42(4) .143(18) .110(16) .02(2) .17(2) -.029(15) C236 .21(2) .099(12) .085(12) -.012(12) .058(13) -.015(10) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details sfls:_F____sigma_weight______full_matrix _refine_ls_structure_factor_coef F #ActaC _refine_ls_matrix_type full #ActaC _refine_ls_weighting_scheme sigma #ActaC _refine_ls_hydrogen_treatment ? #ActaC _refine_ls_extinction_method Zachariasen #ActaC _refine_ls_extinction_coef 5616(862) #ActaC _refine_ls_extinction_expression Eq22_p292_"Cryst._Comp."_Munksgaard_1970 _refine_ls_abs_structure_details none #ActaC _refine_ls_abs_structure_Flack 0 #ActaC _refine_ls_number_reflns 3704 #ActaC _refine_ls_number_parameters 398 #ActaC _refine_ls_number_restraints 0 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .103 #ActaC _refine_ls_R_factor_obs .053 #ActaC _refine_ls_wR_factor_all .058 #ActaC _refine_ls_wR_factor_obs .051 #ActaC _refine_ls_goodness_of_fit_all 1.574 #ActaC _refine_ls_goodness_of_fit_obs 2.004 #ActaC _refine_ls_shift/esd_max .027 #ActaC _refine_ls_shift/esd_mean .001 #ActaC _refine_diff_density_min -1.184 #ActaC _refine_diff_density_max .698 #ActaC _geom_special_details ? #ActaC loop_ _geom_bond_atom_site_label_1 #ActaC _geom_bond_atom_site_label_2 #ActaC _geom_bond_distance #ActaC _geom_bond_site_symmetry_1 #ActaC _geom_bond_site_symmetry_2 #ActaC _geom_bond_publ_flag #ActaC Ag1 N1 2.411(12) . . ? Ag1 N2 2.385(11) . 2_745 ? Ag1 As1 2.5759(15) . . ? Ag1 As2 2.5450(15) . . ? Ag2 C1 2.042(13) . . ? Ag2 C2 2.040(13) . . ? C1 N1 1.118(17) . . ? C2 N2 1.122(17) . . ? As1 C111 1.987(11) . . ? As1 C121 1.961(12) . . ? As1 C131 1.966(12) . . ? C111 C112 1.515(18) . . ? C111 C116 1.535(17) . . ? C111 H111 .963(12) . . ? C112 C113 1.52(2) . . ? C112 H112a .955(16) . . ? C112 H112e .950(14) . . ? C113 C114 1.50(3) . . ? C113 H113a .95(2) . . ? C113 H113e .948(19) . . ? C114 C115 1.44(3) . . ? C114 H114a .95(2) . . ? C114 H114e .95(2) . . ? C115 C116 1.56(2) . . ? C115 H115a .947(19) . . ? C115 H115e .952(17) . . ? C116 H116a .955(14) . . ? C116 H116e .956(14) . . ? C121 C122 1.523(18) . . ? C121 C126 1.496(16) . . ? C121 H121 .960(10) . . ? C122 C123 1.58(2) . . ? C122 H122a .950(14) . . ? C122 H122e .956(13) . . ? C123 C124 1.51(2) . . ? C123 H123a .950(15) . . ? C123 H123e .951(16) . . ? C124 C125 1.48(2) . . ? C124 H124a .952(17) . . ? C124 H124e .944(19) . . ? C125 C126 1.56(2) . . ? C125 H125a .958(14) . . ? C125 H125e .951(14) . . ? C126 H126a .956(13) . . ? C126 H126e .953(14) . . ? C131 C132 1.519(16) . . ? C131 C136 1.507(19) . . ? C131 H131 .960(10) . . ? C132 C133 1.52(2) . . ? C132 H132a .957(11) . . ? C132 H132e .958(13) . . ? C133 C134 1.55(2) . . ? C133 H133a .950(14) . . ? C133 H133e .952(14) . . ? C134 C135 1.48(2) . . ? C134 H134a .950(15) . . ? C134 H134e .951(17) . . ? C135 C136 1.51(2) . . ? C135 H135a .949(15) . . ? C135 H135e .952(17) . . ? C136 H136a .957(12) . . ? C136 H136e .954(13) . . ? As2 C211 1.951(11) . . ? As2 C221 1.952(10) . . ? As2 C231 1.957(16) . . ? C211 C212 1.27(3) . . ? C211 C216 1.541(18) . . ? C211 H211 .957(14) . . ? C212 C213 1.52(2) . . ? C212 H212a .93(2) . . ? C212 H212e .95(2) . . ? C213 C214 1.55(3) . . ? C213 H213a .949(17) . . ? C213 H213e .957(16) . . ? C214 C215 1.26(3) . . ? C214 H214a .92(2) . . ? C214 H214e .97(2) . . ? C215 C216 1.53(2) . . ? C215 H215a .926(19) . . ? C215 H215e .97(2) . . ? C216 H216a .955(13) . . ? C216 H216e .957(12) . . ? C221 C222 1.506(17) . . ? C221 C226 1.527(17) . . ? C221 H221 .960(10) . . ? C222 C223 1.52(2) . . ? C222 H222a .952(14) . . ? C222 H222e .955(15) . . ? C223 C224 1.52(3) . . ? C223 H223a .94(2) . . ? C223 H223e .951(14) . . ? C224 C225 1.47(2) . . ? C224 H224a .951(16) . . ? C224 H224e .951(17) . . ? C225 C226 1.528(17) . . ? C225 H225a .951(14) . . ? C225 H225e .956(15) . . ? C226 H226a .957(13) . . ? C226 H226e .955(11) . . ? C231 C232 1.37(2) . . ? C231 C236 1.40(2) . . ? C231 H231 .95(2) . . ? C232 C233 1.56(3) . . ? C232 H232a .92(2) . . ? C232 H232e .959(16) . . ? C233 C234 1.35(3) . . ? C233 H233a .94(2) . . ? C233 H233e .95(2) . . ? C234 C235 1.34(3) . . ? C234 H234a .95(3) . . ? C234 H234e .94(3) . . ? C235 C236 1.54(3) . . ? C235 H235a .92(3) . . ? C235 H235e .95(2) . . ? C236 H236a .962(17) . . ? C236 H236e .948(16) . . ? loop_ _geom_contact_atom_site_label_1 #ActaC _geom_contact_atom_site_label_2 #ActaC _geom_contact_distance #ActaC _geom_contact_site_symmetry_1 #ActaC _geom_contact_site_symmetry_2 #ActaC _geom_contact_publ_flag #ActaC Ag1 C1 3.385(13) . . ? Ag1 C2 3.489(13) . 2_745 ? Ag1 C111 3.866(11) . . ? Ag1 C112 3.928(14) . . ? Ag1 C121 3.627(10) . . ? Ag1 C122 3.820(12) . . ? Ag1 C131 3.970(11) . . ? Ag1 C211 3.849(12) . . ? Ag1 C212 4.028(16) . . ? Ag1 C221 3.741(10) . . ? Ag1 C222 3.879(15) . . ? Ag1 C231 3.816(14) . . ? Ag1 C232 3.915(17) . . ? Ag1 H112e 3.3264(12) . . ? Ag1 H121 3.6033(13) . . ? Ag1 H122e 3.1465(13) . . ? Ag1 H132a 3.7405(15) . . ? Ag1 H212e 3.4908(13) . . ? Ag1 H222a 3.2177(12) . . ? Ag1 H226a 3.5542(15) . . ? Ag1 H231 3.7023(15) . . ? Ag1 H232e 3.3065(12) . . ? Ag2 N1 3.157(12) . . ? Ag2 N2 3.161(11) . . ? Ag2 C234 3.53(2) . 3_766 ? Ag2 C235 4.05(2) . 3_766 ? Ag2 H116a 3.6240(14) . 1_655 ? Ag2 H121 3.3163(14) . . ? Ag2 H123a 3.3571(12) . . ? Ag2 H125a 3.6584(13) . . ? Ag2 H135a 3.3360(12) . 1_655 ? Ag2 H234a 2.9952(14) . 3_766 ? Ag2 H234e 3.2584(14) . 3_766 ? Ag2 H235e 3.6210(14) . 3_766 ? C1 H121 2.876(11) . . ? N1 As1 3.816(11) . . ? N1 As2 3.989(12) . . ? C2 H226a 2.846(13) . 2_755 ? N2 As1 3.789(12) 2_745 . ? N2 As2 3.920(11) 2_745 . ? N2 H122e 2.862(11) 2_745 . ? N2 H226a 2.788(11) 2_745 . ? As1 C112 2.882(14) . . ? As1 C116 2.991(13) . . ? As1 C122 2.842(15) . . ? As1 C126 2.994(14) . . ? As1 C132 2.881(12) . . ? As1 C136 2.867(15) . . ? As1 As2 4.7680(18) . . ? As1 H111 2.4336(12) . . ? As1 H112a 3.0153(14) . . ? As1 H112e 2.9451(15) . . ? As1 H116a 3.1180(15) . . ? As1 H116e 3.1332(13) . . ? As1 H121 2.3746(13) . . ? As1 H122a 3.0502(15) . . ? As1 H122e 2.8503(14) . . ? As1 H126a 3.1686(13) . . ? As1 H126e 3.1046(14) . . ? As1 H131 2.4477(13) . . ? As1 H132a 2.9673(13) . . ? As1 H132e 3.0057(15) . . ? As1 H136a 2.9542(15) . . ? As1 H136e 2.9747(14) . . ? C111 C113 2.50(2) . . ? C111 C114 2.92(2) . . ? C111 C115 2.519(19) . . ? C111 C121 3.129(17) . . ? C111 C131 3.132(15) . . ? C111 H112a 2.032(12) . . ? C111 H112e 2.041(11) . . ? C111 H113a 2.723(11) . . ? C111 H115a 2.741(11) . . ? C111 H116a 2.059(12) . . ? C111 H116e 2.067(11) . . ? C112 C114 2.50(2) . . ? C112 C115 2.91(2) . . ? C112 C116 2.529(18) . . ? C112 H111 2.046(15) . . ? C112 H113a 2.028(13) . . ? C112 H113e 2.032(14) . . ? C112 H114a 2.723(15) . . ? C112 H116a 2.773(13) . . ? C113 C115 2.45(3) . . ? C113 C116 2.94(2) . . ? C113 H111 2.68(2) . . ? C113 H112a 2.039(17) . . ? C113 H112e 2.04(2) . . ? C113 H114a 2.01(2) . . ? C113 H114e 2.01(2) . . ? C113 H115a 2.676(17) . . ? C114 C116 2.51(3) . . ? C114 H112a 2.732(18) . . ? C114 H113a 2.01(2) . . ? C114 H113e 2.01(2) . . ? C114 H115a 1.96(2) . . ? C114 H115e 1.96(2) . . ? C114 H116a 2.78(2) . . ? C115 H111 2.651(16) . . ? C115 H113a 2.68(2) . . ? C115 H114a 1.960(19) . . ? C115 H114e 1.96(2) . . ? C115 H116a 2.084(19) . . ? C115 H116e 2.08(2) . . ? C116 H111 1.991(14) . . ? C116 H112a 2.743(13) . . ? C116 H114a 2.731(14) . . ? C116 H115a 2.060(13) . . ? C116 H115e 2.064(13) . . ? C121 C123 2.54(2) . . ? C121 C124 2.96(2) . . ? C121 C125 2.51(2) . . ? C121 C131 3.083(17) . . ? C121 H122a 2.048(11) . . ? C121 H122e 2.053(11) . . ? C121 H123a 2.721(13) . . ? C121 H125a 2.711(11) . . ? C121 H126a 2.018(10) . . ? C121 H126e 2.023(11) . . ? C122 C124 2.52(2) . . ? C122 C125 2.91(2) . . ? C122 C126 2.45(2) . . ? C122 H121 2.109(13) . . ? C122 H123a 2.097(16) . . ? C122 H123e 2.099(15) . . ? C122 H124a 2.703(12) . . ? C122 H126a 2.614(15) . . ? C123 C125 2.47(2) . . ? C123 C126 2.93(2) . . ? C123 H121 2.725(16) . . ? C123 H122a 2.100(17) . . ? C123 H122e 2.102(15) . . ? C123 H124a 2.030(15) . . ? C123 H124e 2.029(14) . . ? C123 H125a 2.678(15) . . ? C124 C126 2.52(2) . . ? C124 H122a 2.710(19) . . ? C124 H123a 2.038(16) . . ? C124 H123e 2.038(19) . . ? C124 H125a 2.008(17) . . ? C124 H125e 2.01(2) . . ? C124 H126a 2.727(19) . . ? C125 H121 2.614(15) . . ? C125 H123a 2.686(15) . . ? C125 H124a 1.999(16) . . ? C125 H124e 2.005(17) . . ? C125 H126a 2.077(16) . . ? C125 H126e 2.083(17) . . ? C126 H121 1.949(12) . . ? C126 H122a 2.619(13) . . ? C126 H124a 2.712(15) . . ? C126 H125a 2.072(14) . . ? C126 H125e 2.076(14) . . ? C131 C133 2.511(17) . . ? C131 C134 2.94(2) . . ? C131 C135 2.50(2) . . ? C131 H132a 2.044(11) . . ? C131 H132e 2.050(12) . . ? C131 H133a 2.726(11) . . ? C131 H135a 2.703(12) . . ? C131 H136a 2.025(11) . . ? C131 H136e 2.032(12) . . ? C132 C134 2.53(2) . . ? C132 C135 2.91(2) . . ? C132 C136 2.47(2) . . ? C132 H131 2.039(11) . . ? C132 H133a 2.038(12) . . ? C132 H133e 2.045(12) . . ? C132 H134a 2.748(13) . . ? C132 H136a 2.669(13) . . ? C133 C135 2.49(2) . . ? C133 C136 2.899(19) . . ? C133 H131 2.706(14) . . ? C133 H132a 2.047(15) . . ? C133 H132e 2.047(17) . . ? C133 H134a 2.064(16) . . ? C133 H134e 2.064(18) . . ? C133 H135a 2.695(16) . . ? C134 C136 2.47(2) . . ? C134 H132a 2.746(19) . . ? C134 H133a 2.063(16) . . ? C134 H133e 2.062(18) . . ? C134 H135a 2.000(16) . . ? C134 H135e 2.000(17) . . ? C134 H136a 2.674(16) . . ? C135 H131 2.697(17) . . ? C135 H133a 2.714(17) . . ? C135 H134a 2.001(15) . . ? C135 H134e 2.000(16) . . ? C135 H136a 2.032(17) . . ? C135 H136e 2.032(16) . . ? C136 H131 2.028(13) . . ? C136 H132a 2.688(14) . . ? C136 H134a 2.684(12) . . ? C136 H135a 2.025(13) . . ? C136 H135e 2.031(15) . . ? As2 C212 2.839(18) . . ? As2 C216 2.977(11) . . ? As2 C222 2.826(14) . . ? As2 C226 2.878(12) . . ? As2 C232 2.829(17) . . ? As2 C236 2.946(17) . . ? As2 H211 2.2354(13) . . ? As2 H212a 2.9637(14) . . ? As2 H212e 2.8764(15) . . ? As2 H216a 3.1324(12) . . ? As2 H216e 3.0797(12) . . ? As2 H221 2.4496(13) . . ? As2 H222a 2.8477(13) . . ? As2 H222e 2.9734(14) . . ? As2 H226a 2.9191(14) . . ? As2 H226e 3.0500(16) . . ? As2 H231 2.2205(13) . . ? As2 H232a 2.9642(15) . . ? As2 H232e 2.8573(15) . . ? As2 H236a 3.1442(15) . . ? As2 H236e 3.0284(15) . . ? C211 C213 2.48(2) . . ? C211 C214 2.84(2) . . ? C211 C215 2.56(2) . . ? C211 C221 3.092(16) . . ? C211 C231 3.05(2) . . ? C211 H212a 1.767(14) . . ? C211 H212e 1.773(15) . . ? C211 H216a 2.057(15) . . ? C211 H216e 2.063(14) . . ? C212 C214 2.50(2) . . ? C212 C215 2.82(3) . . ? C212 C216 2.44(3) . . ? C212 H211 1.65(2) . . ? C212 H213a 2.05(2) . . ? C212 H213e 2.039(18) . . ? C213 C215 2.47(3) . . ? C213 C216 2.96(2) . . ? C213 H211 2.612(15) . . ? C213 H212a 1.981(15) . . ? C213 H212e 1.979(13) . . ? C213 H214a 2.011(15) . . ? C213 H214e 2.009(15) . . ? C214 C216 2.43(2) . . ? C214 H213a 2.08(2) . . ? C214 H213e 2.06(2) . . ? C214 H215a 1.79(2) . . ? C214 H215e 1.76(2) . . ? C215 H211 2.681(16) . . ? C215 H214a 1.777(17) . . ? C215 H214e 1.754(18) . . ? C215 H216a 2.061(17) . . ? C215 H216e 2.042(15) . . ? C216 H211 1.867(12) . . ? C216 H212a 2.878(13) . . ? C216 H214a 2.877(12) . . ? C216 H215a 2.012(13) . . ? C216 H215e 2.013(11) . . ? C221 C223 2.53(2) . . ? C221 C224 2.976(19) . . ? C221 C225 2.526(16) . . ? C221 C231 3.068(17) . . ? C221 H222a 2.017(9) . . ? C221 H222e 2.024(11) . . ? C221 H223a 2.780(11) . . ? C221 H225a 2.735(10) . . ? C221 H226a 2.046(11) . . ? C221 H226e 2.053(11) . . ? C221 H236e 2.859(11) . . ? C222 C224 2.53(2) . . ? C222 C225 2.89(2) . . ? C222 C226 2.50(2) . . ? C222 H221 2.035(13) . . ? C222 H223a 2.032(15) . . ? C222 H223e 2.033(14) . . ? C222 H224a 2.782(14) . . ? C222 H226a 2.744(16) . . ? C223 C225 2.46(2) . . ? C223 C226 2.92(2) . . ? C223 H221 2.773(15) . . ? C223 H222a 2.04(2) . . ? C223 H222e 2.031(19) . . ? C223 H224a 2.05(2) . . ? C223 H224e 2.05(2) . . ? C223 H225a 2.672(16) . . ? C224 C226 2.52(2) . . ? C224 H222a 2.777(17) . . ? C224 H223a 2.031(18) . . ? C224 H223e 2.029(18) . . ? C224 H225a 1.991(16) . . ? C224 H225e 1.994(19) . . ? C224 H226a 2.753(18) . . ? C225 H221 2.738(13) . . ? C225 H223a 2.694(16) . . ? C225 H224a 1.991(13) . . ? C225 H224e 1.991(15) . . ? C225 H226a 2.051(14) . . ? C225 H226e 2.055(14) . . ? C226 H211 2.844(11) . . ? C226 H221 2.027(13) . . ? C226 H222a 2.739(12) . . ? C226 H224a 2.744(11) . . ? C226 H225a 2.033(12) . . ? C226 H225e 2.039(11) . . ? C231 C233 2.51(3) . . ? C231 C234 2.83(3) . . ? C231 C235 2.49(3) . . ? C231 H232a 1.871(16) . . ? C231 H232e 1.875(14) . . ? C231 H236a 1.924(13) . . ? C231 H236e 1.927(16) . . ? C232 C234 2.48(3) . . ? C232 C235 2.84(3) . . ? C232 C236 2.41(2) . . ? C232 H231 1.729(18) . . ? C232 H233a 2.05(2) . . ? C232 H233e 2.029(16) . . ? C232 H236a 2.893(16) . . ? C233 C235 2.37(3) . . ? C233 C236 2.87(2) . . ? C233 H231 2.632(19) . . ? C233 H232a 2.05(3) . . ? C233 H232e 2.05(2) . . ? C233 H234a 1.83(2) . . ? C233 H234e 1.82(3) . . ? C233 H235a 2.83(2) . . ? C234 C236 2.48(3) . . ? C234 H233a 1.87(2) . . ? C234 H233e 1.87(3) . . ? C234 H235a 1.83(3) . . ? C234 H235e 1.83(2) . . ? C235 H231 2.58(2) . . ? C235 H233a 2.88(2) . . ? C235 H234a 1.86(2) . . ? C235 H234e 1.84(2) . . ? C235 H236a 2.05(3) . . ? C235 H236e 2.03(2) . . ? C236 H231 1.731(15) . . ? C236 H232a 2.889(16) . . ? C236 H235a 2.02(2) . . ? C236 H235e 2.030(16) . . ? H111 H112e 2.3404(6) . . ? H111 H113a 2.5592(7) . . ? H111 H115a 2.5236(7) . . ? H111 H116e 2.2510(6) . . ? H111 H122a 2.3614(5) . . ? H112a H112e 1.5513(3) . . ? H112a H113e 2.2856(7) . . ? H112a H136e 2.3694(8) . . ? H112e H113a 2.2832(5) . . ? H112e H113e 2.3446(6) . . ? H112e H222a 2.5111(6) . . ? H113a H113e 1.5513(4) . . ? H113a H114e 2.2501(7) . . ? H113a H115a 2.5656(6) . . ? H113a H133a 2.4387(6) . 2_645 ? H113e H114a 2.2488(6) . . ? H113e H114e 2.3129(5) . . ? H113e H126e 2.5812(10) . 2_645 ? H114a H114e 1.5515(4) . . ? H114a H115e 2.1938(6) . . ? H114e H115a 2.1927(5) . . ? H114e H115e 2.2577(8) . . ? H115a H115e 1.5514(3) . . ? H115a H116e 2.3163(7) . . ? H115e H116a 2.3242(5) . . ? H115e H116e 2.3919(6) . . ? H116a H116e 1.5513(5) . . ? H116a H131 2.4382(6) . . ? H116a H136e 2.4672(7) . . ? H116e H126a 2.2692(5) . . ? H121 H122e 2.4475(8) . . ? H121 H123a 2.5656(6) . . ? H121 H125a 2.4567(6) . . ? H121 H126e 2.2207(5) . . ? H121 H132e 2.4687(5) . . ? H122a H122e 1.5512(4) . . ? H122a H123e 2.3878(5) . . ? H122a H124a 2.5459(6) . . ? H122a H126a 2.4265(7) . . ? H122e H123a 2.3878(6) . . ? H122e H123e 2.3915(7) . . ? H123a H123e 1.5512(4) . . ? H123a H124e 2.3067(5) . . ? H123a H125a 2.5448(7) . . ? H123a H225e 2.5499(5) . 2_755 ? H123e H124a 2.3037(5) . . ? H123e H124e 2.3368(8) . . ? H123e H236e 2.3298(6) . 4_554 ? H124a H124e 1.5512(4) . . ? H124a H125e 2.2681(7) . . ? H124a H126a 2.5751(6) . . ? H124e H125a 2.2679(6) . . ? H124e H125e 2.3060(5) . . ? H124e H226e 2.4126(6) . 2_755 ? H125a H125e 1.5513(4) . . ? H125a H126e 2.3572(5) . . ? H125e H126a 2.3592(6) . . ? H125e H126e 2.3745(7) . . ? H125e H223e 2.2077(6) . 2_655 ? H126a H126e 1.5514(4) . . ? H126e H131 2.5292(6) . . ? H126e H132e 2.5257(7) . . ? H131 H132e 2.3193(6) . . ? H131 H133a 2.5738(8) . . ? H131 H135a 2.5471(6) . . ? H131 H136e 2.3071(5) . . ? H132a H132e 1.5513(4) . . ? H132a H133e 2.3069(8) . . ? H132a H136a 2.5304(6) . . ? H132e H133a 2.3057(5) . . ? H132e H133e 2.3535(6) . . ? H133a H133e 1.5513(4) . . ? H133a H134e 2.3201(7) . . ? H133a H135a 2.5759(6) . . ? H133e H134a 2.3206(5) . . ? H133e H134e 2.3717(5) . . ? H134a H134e 1.5514(4) . . ? H134a H135e 2.2564(6) . . ? H134a H136a 2.5392(8) . . ? H134a H233a 2.3015(5) . . ? H134e H135a 2.2556(5) . . ? H134e H135e 2.3029(8) . . ? H135a H135e 1.5514(4) . . ? H135a H136e 2.3009(8) . . ? H135a H234e 2.4379(5) . 3_666 ? H135e H136a 2.3010(5) . . ? H135e H136e 2.3197(6) . . ? H136a H136e 1.5513(4) . . ? H136a H232e 2.5761(7) . . ? H211 H212a 2.4304(9) . . ? H211 H212e 1.7478(4) . . ? H211 H216e 2.0273(6) . . ? H211 H226e 2.3095(7) . . ? H212a H212e 1.5514(4) . . ? H212a H213e 2.0928(6) . . ? H212e H213a 2.1040(6) . . ? H212e H213e 2.4855(6) . . ? H213a H213e 1.5515(5) . . ? H213a H214e 2.1385(5) . . ? H213e H214a 2.1288(6) . . ? H213e H214e 2.5158(8) . . ? H214a H214e 1.5512(4) . . ? H214a H215a 2.4612(8) . . ? H214a H215e 1.8065(4) . . ? H214e H215a 1.8083(4) . . ? H214e H215e 2.2231(5) . . ? H214e H222e 2.3259(5) . 1_655 ? H215a H215e 1.5512(4) . . ? H215a H216e 2.1210(6) . . ? H215e H216a 2.1265(6) . . ? H215e H216e 2.5140(6) . . ? H216a H216e 1.5514(5) . . ? H216a H236a 2.1437(5) . . ? H216e H221 2.4937(8) . . ? H216e H226e 2.4290(6) . . ? H221 H222e 2.2789(6) . . ? H221 H226e 2.2761(5) . . ? H221 H236e 2.3811(6) . . ? H222a H222e 1.5512(5) . . ? H222a H223e 2.2672(5) . . ? H222e H223a 2.2676(9) . . ? H222e H223e 2.3490(6) . . ? H222e H231 2.4014(7) . . ? H222e H236e 2.5427(6) . . ? H223a H223e 1.5513(3) . . ? H223a H224e 2.2765(6) . . ? H223a H225a 2.5648(6) . . ? H223e H224a 2.2801(5) . . ? H223e H224e 2.3608(7) . . ? H224a H224e 1.5512(4) . . ? H224a H225e 2.2415(6) . . ? H224e H225a 2.2362(5) . . ? H224e H225e 2.2962(7) . . ? H225a H225a 2.4641(6) . 3_756 ? H225a H225e 1.5513(5) . . ? H225a H226e 2.2960(5) . . ? H225e H226a 2.3004(9) . . ? H225e H226e 2.3426(6) . . ? H226a H226e 1.5511(3) . . ? H231 H232a 2.4966(6) . . ? H231 H232e 1.8338(6) . . ? H231 H236a 2.5378(6) . . ? H231 H236e 1.8941(5) . . ? H232a H232e 1.5513(4) . . ? H232a H233e 2.1137(5) . . ? H232e H233a 2.1148(5) . . ? H232e H233e 2.5402(6) . . ? H233a H233e 1.5512(4) . . ? H233a H234a 2.5014(6) . . ? H233a H234e 1.8889(6) . . ? H233e H234a 1.8858(5) . . ? H233e H234e 2.3525(5) . . ? H234a H234e 1.5514(5) . . ? H234a H235a 2.5076(7) . . ? H234a H235e 1.8819(7) . . ? H234e H235a 1.8843(7) . . ? H234e H235e 2.3224(6) . . ? H235a H235e 1.5513(4) . . ? H235a H236e 2.1285(5) . . ? H235e H236a 2.1315(4) . . ? H235e H236e 2.5145(6) . . ? H236a H236e 1.5513(4) . . ? loop_ _geom_angle_atom_site_label_1 #ActaC _geom_angle_atom_site_label_2 #ActaC _geom_angle_atom_site_label_3 #ActaC _geom_angle #ActaC _geom_angle_site_symmetry_1 #ActaC _geom_angle_site_symmetry_2 #ActaC _geom_angle_site_symmetry_3 #ActaC _geom_angle_publ_flag #ActaC N1 Ag1 N2 104.0(4) . . 2_745 ? N1 Ag1 As1 99.8(3) . . . ? N1 Ag1 As2 107.2(2) . . . ? N2 Ag1 As1 99.5(3) 2_745 . . ? N2 Ag1 As2 105.3(3) 2_745 . . ? As1 Ag1 As2 137.21(6) . . . ? C1 Ag2 C2 174.4(6) . . . ? Ag2 C1 N1 174.7(12) . . . ? Ag1 N1 C1 144.6(10) . . . ? Ag2 C2 N2 176.7(12) . . . ? Ag1 N2 C2 167.6(11) . 2_745 2_745 ? Ag1 As1 C111 115.3(3) . . . ? Ag1 As1 C121 105.4(3) . . . ? Ag1 As1 C131 121.3(3) . . . ? C111 As1 C121 104.9(5) . . . ? C111 As1 C131 104.8(5) . . . ? C121 As1 C131 103.5(5) . . . ? As1 C111 C112 110.0(8) . . . ? As1 C111 C116 115.7(8) . . . ? As1 C111 H111 105.9(9) . . . ? C112 C111 C116 112.0(11) . . . ? C112 C111 H111 109.3(10) . . . ? C116 C111 H111 103.3(10) . . . ? C111 C112 C113 111.4(11) . . . ? C111 C112 H112a 108.6(12) . . . ? C111 C112 H112e 109.6(14) . . . ? C113 C112 H112a 109.1(15) . . . ? C113 C112 H112e 109.1(13) . . . ? H112a C112 H112e 109.0(13) . . . ? C112 C113 C114 112.1(14) . . . ? C112 C113 H113a 109(2) . . . ? C112 C113 H113e 109.0(15) . . . ? C114 C113 H113a 108.6(16) . . . ? C114 C113 H113e 108(2) . . . ? H113a C113 H113e 110.0(17) . . . ? C113 C114 C115 113.1(18) . . . ? C113 C114 H114a 108.5(17) . . . ? C113 C114 H114e 108(2) . . . ? C115 C114 H114a 109(2) . . . ? C115 C114 H114e 108.5(17) . . . ? H114a C114 H114e 110(2) . . . ? C114 C115 C116 114.0(13) . . . ? C114 C115 H115a 108(2) . . . ? C114 C115 H115e 108.1(17) . . . ? C116 C115 H115a 108.4(15) . . . ? C116 C115 H115e 108.4(18) . . . ? H115a C115 H115e 109.5(15) . . . ? C111 C116 C115 109.2(11) . . . ? C111 C116 H116a 109.3(11) . . . ? C111 C116 H116e 110.0(13) . . . ? C115 C116 H116a 109.9(13) . . . ? C115 C116 H116e 109.7(12) . . . ? H116a C116 H116e 108.6(13) . . . ? As1 C121 C122 108.7(8) . . . ? As1 C121 C126 119.4(9) . . . ? As1 C121 H121 103.4(8) . . . ? C122 C121 C126 108.3(10) . . . ? C122 C121 H121 114.4(12) . . . ? C126 C121 H121 102.9(9) . . . ? C121 C122 C123 109.7(11) . . . ? C121 C122 H122a 109.5(14) . . . ? C121 C122 H122e 109.7(10) . . . ? C123 C122 H122a 109.6(11) . . . ? C123 C122 H122e 109.4(14) . . . ? H122a C122 H122e 108.9(14) . . . ? C122 C123 C124 109.3(14) . . . ? C122 C123 H123a 109.4(12) . . . ? C122 C123 H123e 109.5(13) . . . ? C124 C123 H123a 109.7(14) . . . ? C124 C123 H123e 109.6(13) . . . ? H123a C123 H123e 109.3(18) . . . ? C123 C124 C125 111.1(12) . . . ? C123 C124 H124a 108.9(16) . . . ? C123 C124 H124e 109.3(17) . . . ? C125 C124 H124a 108.4(16) . . . ? C125 C124 H124e 109.4(17) . . . ? H124a C124 H124e 109.8(14) . . . ? C124 C125 C126 111.9(13) . . . ? C124 C125 H125a 108.8(15) . . . ? C124 C125 H125e 109.3(14) . . . ? C126 C125 H125a 108.7(14) . . . ? C126 C125 H125e 109.4(14) . . . ? H125a C125 H125e 108.7(15) . . . ? C121 C126 C125 110.8(11) . . . ? C121 C126 H126a 108.7(11) . . . ? C121 C126 H126e 109.4(12) . . . ? C125 C126 H126a 109.2(12) . . . ? C125 C126 H126e 109.9(12) . . . ? H126a C126 H126e 108.7(14) . . . ? As1 C131 C132 110.8(9) . . . ? As1 C131 C136 110.6(8) . . . ? As1 C131 H131 108.6(8) . . . ? C132 C131 C136 109.6(9) . . . ? C132 C131 H131 108.6(10) . . . ? C136 C131 H131 108.6(11) . . . ? C131 C132 C133 111.4(11) . . . ? C131 C132 H132a 109.1(10) . . . ? C131 C132 H132e 109.6(10) . . . ? C133 C132 H132a 109.3(11) . . . ? C133 C132 H132e 109.2(11) . . . ? H132a C132 H132e 108.2(13) . . . ? C132 C133 C134 111.0(11) . . . ? C132 C133 H133a 109.0(13) . . . ? C132 C133 H133e 109.5(15) . . . ? C134 C133 H133a 109.1(15) . . . ? C134 C133 H133e 108.9(14) . . . ? H133a C133 H133e 109.3(13) . . . ? C133 C134 C135 110.9(12) . . . ? C133 C134 H134a 109.2(16) . . . ? C133 C134 H134e 109.2(14) . . . ? C135 C134 H134a 109.1(14) . . . ? C135 C134 H134e 109.0(17) . . . ? H134a C134 H134e 109.4(15) . . . ? C134 C135 C136 111.5(14) . . . ? C134 C135 H135a 109.1(15) . . . ? C134 C135 H135e 108.9(14) . . . ? C136 C135 H135a 108.8(13) . . . ? C136 C135 H135e 109.1(14) . . . ? H135a C135 H135e 109.4(17) . . . ? C131 C136 C135 112.3(11) . . . ? C131 C136 H136a 108.6(13) . . . ? C131 C136 H136e 109.2(11) . . . ? C135 C136 H136a 108.9(12) . . . ? C135 C136 H136e 109.1(14) . . . ? H136a C136 H136e 108.6(12) . . . ? Ag1 As2 C211 117.1(4) . . . ? Ag1 As2 C221 111.9(3) . . . ? Ag1 As2 C231 115.3(4) . . . ? C211 As2 C221 104.8(5) . . . ? C211 As2 C231 102.8(7) . . . ? C221 As2 C231 103.4(6) . . . ? As2 C211 C212 121.9(12) . . . ? As2 C211 C216 116.5(9) . . . ? As2 C211 H211 94.2(8) . . . ? C212 C211 C216 120.0(12) . . . ? C212 C211 H211 94.6(16) . . . ? C216 C211 H211 93.8(11) . . . ? C211 C212 C213 125.3(18) . . . ? C211 C212 H212a 105.3(19) . . . ? C211 C212 H212e 105.1(17) . . . ? C213 C212 H212a 105.3(16) . . . ? C213 C212 H212e 104.5(17) . . . ? H212a C212 H212e 111(2) . . . ? C212 C213 C214 109.5(15) . . . ? C212 C213 H213a 110.1(14) . . . ? C212 C213 H213e 108.8(16) . . . ? C214 C213 H213a 110.9(15) . . . ? C214 C213 H213e 108.5(13) . . . ? H213a C213 H213e 109.0(16) . . . ? C213 C214 C215 123.2(15) . . . ? C213 C214 H214a 107(2) . . . ? C213 C214 H214e 103.8(17) . . . ? C215 C214 H214a 109(2) . . . ? C215 C214 H214e 103(2) . . . ? H214a C214 H214e 110.7(16) . . . ? C214 C215 C216 121.2(16) . . . ? C214 C215 H215a 109(2) . . . ? C214 C215 H215e 103.8(16) . . . ? C216 C215 H215a 107.3(14) . . . ? C216 C215 H215e 105.1(16) . . . ? H215a C215 H215e 110.1(18) . . . ? C211 C216 C215 112.7(12) . . . ? C211 C216 H216a 108.7(11) . . . ? C211 C216 H216e 109.1(10) . . . ? C215 C216 H216a 109.8(12) . . . ? C215 C216 H216e 108.1(12) . . . ? H216a C216 H216e 108.4(13) . . . ? As2 C221 C222 108.9(8) . . . ? As2 C221 C226 111.0(8) . . . ? As2 C221 H221 109.8(7) . . . ? C222 C221 C226 110.8(9) . . . ? C222 C221 H221 109.2(11) . . . ? C226 C221 H221 107.0(9) . . . ? C221 C222 C223 113.8(11) . . . ? C221 C222 H222a 108.2(13) . . . ? C221 C222 H222e 108.6(11) . . . ? C223 C222 H222a 109.0(13) . . . ? C223 C222 H222e 108.3(15) . . . ? H222a C222 H222e 108.9(13) . . . ? C222 C223 C224 112.7(15) . . . ? C222 C223 H223a 109.0(15) . . . ? C222 C223 H223e 108.7(16) . . . ? C224 C223 H223a 108.6(16) . . . ? C224 C223 H223e 107.9(16) . . . ? H223a C223 H223e 109.9(18) . . . ? C223 C224 C225 110.4(12) . . . ? C223 C224 H224a 109.9(15) . . . ? C223 C224 H224e 109.6(17) . . . ? C225 C224 H224a 108.9(17) . . . ? C225 C224 H224e 108.8(14) . . . ? H224a C224 H224e 109.3(15) . . . ? C224 C225 C226 114.3(11) . . . ? C224 C225 H225a 108.8(15) . . . ? C224 C225 H225e 108.8(12) . . . ? C226 C225 H225a 107.9(11) . . . ? C226 C225 H225e 108.1(14) . . . ? H225a C225 H225e 108.9(12) . . . ? C221 C226 C225 111.5(11) . . . ? C221 C226 H226a 108.7(10) . . . ? C221 C226 H226e 109.4(10) . . . ? C225 C226 H226a 109.1(10) . . . ? C225 C226 H226e 109.6(10) . . . ? H226a C226 H226e 108.5(13) . . . ? As2 C231 C232 115.4(13) . . . ? As2 C231 C236 122.0(11) . . . ? As2 C231 H231 92.9(9) . . . ? C232 C231 C236 121.6(14) . . . ? C232 C231 H231 94.6(15) . . . ? C236 C231 H231 92.9(16) . . . ? C231 C232 C233 117.7(17) . . . ? C231 C232 H232a 108(2) . . . ? C231 C232 H232e 106.0(15) . . . ? C233 C232 H232a 108.4(16) . . . ? C233 C232 H232e 106.0(18) . . . ? H232a C232 H232e 111(2) . . . ? C232 C233 C234 116.9(19) . . . ? C232 C233 H233a 107.3(17) . . . ? C232 C233 H233e 105(2) . . . ? C234 C233 H233a 109(3) . . . ? C234 C233 H233e 108(2) . . . ? H233a C233 H233e 111(2) . . . ? C233 C234 C235 124(2) . . . ? C233 C234 H234a 104(3) . . . ? C233 C234 H234e 104(2) . . . ? C235 C234 H234a 107(2) . . . ? C235 C234 H234e 106(3) . . . ? H234a C234 H234e 111(3) . . . ? C234 C235 C236 119(2) . . . ? C234 C235 H235a 107(3) . . . ? C234 C235 H235e 105(2) . . . ? C236 C235 H235a 107.7(18) . . . ? C236 C235 H235e 107(2) . . . ? H235a C235 H235e 112(2) . . . ? C231 C236 C235 115.9(14) . . . ? C231 C236 H236a 107.9(18) . . . ? C231 C236 H236e 109.0(14) . . . ? C235 C236 H236a 108.0(15) . . . ? C235 C236 H236e 107.3(19) . . . ? H236a C236 H236e 108.6(14) . . . ? loop_ _geom_torsion_atom_site_label_1 #ActaC _geom_torsion_atom_site_label_2 #ActaC _geom_torsion_atom_site_label_3 #ActaC _geom_torsion_atom_site_label_4 #ActaC _geom_torsion #ActaC _geom_torsion_site_symmetry_1 #ActaC _geom_torsion_site_symmetry_2 #ActaC _geom_torsion_site_symmetry_3 #ActaC _geom_torsion_site_symmetry_4 #ActaC _geom_torsion_publ_flag #ActaC ? ? ? ? ? ? ? ? ? ? _reflns_limit_h_min 0 _reflns_limit_h_max 11 _reflns_limit_k_min 0 _reflns_limit_k_max 21 _reflns_limit_l_min -28 _reflns_limit_l_max 27 _reflns_number_total 7248 #ActaC _reflns_number_observed 3704 #ActaC _reflns_observed_criterion refl_observed_if_F____>_.000_sigma(F___) _reflns_d_resolution_high .841 _reflns_d_resolution_low 14.171 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 3.7608 #=END data_cnaacy _audit_creation_date 97-11-27 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common AgCN:As(C6H11)3:pyridine (3:4:2) #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum ? #ActaC _chemical_formula_weight ? #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #ActaC _computing_data_reduction xtal_DIFDAT_ADDREF_ABSORB_SORTRF #ActaC _computing_structure_solution xtal #ActaC _computing_structure_refinement xtal_CRYLSQ #ActaC _computing_molecular_graphics xtal #ActaC _computing_publication_material xtal_BONDLA_CIFIO #ActaC _cell_length_a 14.887(6) #ActaC _cell_length_b 14.429(3) #ActaC _cell_length_c 20.636(7) #ActaC _cell_angle_alpha 90.00000 #ActaC _cell_angle_beta 97.79(3) #ActaC _cell_angle_gamma 90.00000 #ActaC _cell_volume 4392(3) #ActaC _cell_formula_units_Z 2 #ActaC _cell_measurement_temperature 293 #ActaC _cell_measurement_reflns_used ? #ActaC _cell_measurement_theta_min ? #ActaC _cell_measurement_theta_max ? #ActaC _cell_special_details #ActaC ; ? ; _symmetry_cell_setting monoclinic #ActaC _symmetry_space_group_name_H-M p_1_21_1 #ActaC _symmetry_space_group_name_Hall p_2yb #ActaC loop_ _symmetry_equiv_pos_as_xyz #ActaC +x,+y,+z -x,1/2+y,-z _exptl_crystal_description ? #ActaC _exptl_crystal_preparation ? _exptl_crystal_colour ? #ActaC _exptl_crystal_size_max ? #ActaC _exptl_crystal_size_mid ? #ActaC _exptl_crystal_size_min ? #ActaC _exptl_crystal_density_diffrn 1.405 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 1920 #ActaC _exptl_absorpt_process_details ? _exptl_absorpt_coefficient_mu ? #ActaC _exptl_absorpt_correction_type ? #ActaC _exptl_absorpt_correction_T_min ? #ActaC _exptl_absorpt_correction_T_max ? #ActaC _exptl_special_details #ActaC ; ? ; _diffrn_special_details ; ? ; _diffrn_ambient_temperature 293 #ActaC _diffrn_radiation_wavelength ? #ActaC _diffrn_radiation_type xray_tube #ActaC _diffrn_radiation_source ? #ActaC _diffrn_radiation_monochromator ? #ActaC _diffrn_radiation_detector ? #ActaC _diffrn_measurement_device CAD4 #ActaC _diffrn_measurement_method ? #ActaC _diffrn_standards_number ? #ActaC _diffrn_standards_interval_count ? #ActaC _diffrn_standards_interval_time ? #ActaC _diffrn_standards_decay_% ? #ActaC loop_ _diffrn_standard_refln_index_h #ActaC _diffrn_standard_refln_index_k #ActaC _diffrn_standard_refln_index_l #ActaC ? ? ? loop_ _diffrn_attenuator_code _diffrn_attenuator_scale ? ? _diffrn_reflns_number 8040 #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI .094 #ActaC _diffrn_reflns_limit_h_min 0 #ActaC _diffrn_reflns_limit_h_max 17 #ActaC _diffrn_reflns_limit_k_min 0 #ActaC _diffrn_reflns_limit_k_max 17 #ActaC _diffrn_reflns_limit_l_min -24 #ActaC _diffrn_reflns_limit_l_max 24 #ActaC _diffrn_reflns_theta_min 1.38 #ActaC _diffrn_reflns_theta_max 24.99 #ActaC _diffrn_reflns_reduction_process perpendicular_monochr_Lp #ActaC loop_ _atom_type_symbol #ActaC _atom_type_description #ActaC _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real #ActaC _atom_type_scat_dispersion_imag #ActaC _atom_type_scat_source #ActaC C ? 0 170 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 284 0 0 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Ag ? 0 6 -1.085 1.101 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 As ? 0 8 -.03 2.007 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 N ? 0 10 .004 .003 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 loop_ _atom_site_label #ActaC _atom_site_fract_x #ActaC _atom_site_fract_y #ActaC _atom_site_fract_z #ActaC _atom_site_U_iso_or_equiv #ActaC _atom_site_thermal_displace_type #ActaC _atom_site_calc_flag #ActaC _atom_site_calc_attached_atom #ActaC Ag1 .6491(2) .304(3) .81972(15) .061(2) Uani ? ? Ag2 .85735(19) .570(3) .71343(14) .059(2) Uani ? ? C .738(2) .411(4) .7711(17) .047(12) Uiso ? ? N .7607(18) .454(3) .7509(13) .045(10) Uiso ? ? N11 .716(2) .342(3) .9336(14) .062(10) Uiso ? ? C12 .789(3) .393(4) .940(2) .077(13) Uiso ? ? C13 .831(3) .419(5) 1.003(3) .12(2) Uiso ? ? C14 .799(4) .388(5) 1.056(2) .118(18) Uiso ? ? C15 .722(3) .337(4) 1.053(2) .100(17) Uiso ? ? C16 .687(3) .314(4) .988(2) .088(14) Uiso ? ? N21 .858(2) .670(4) .8177(14) .067(9) Uiso ? ? C22 .807(3) .645(4) .859(2) .097(16) Uiso ? ? C23 .814(3) .677(5) .922(2) .101(16) Uiso ? ? C24 .874(4) .740(5) .937(3) .12(2) Uiso ? ? C25 .924(3) .775(4) .896(2) .107(17) Uiso ? ? C26 .919(3) .740(5) .829(2) .106(17) Uiso ? ? As11 .7018(3) .143(3) .7942(2) .061(3) Uani ? ? C1111 .828(3) .119(5) .799(2) .117(19) Uiso ? ? C1112 .871(3) .177(5) .856(2) .120(18) Uiso ? ? C1113 .991(4) .165(6) .864(3) .18(3) Uiso ? ? C1114 1.016(3) .065(5) .860(2) .110(17) Uiso ? ? C1115 .964(5) .021(6) .800(3) .18(3) Uiso ? ? C1116 .864(3) .022(5) .802(2) .109(17) Uiso ? ? C1121 .656(3) .035(4) .834(2) .079(14) Uiso ? ? C1122 .556(3) .037(5) .827(2) .122(19) Uiso ? ? C1123 .508(3) -.052(5) .856(3) .123(19) Uiso ? ? C1124 .543(3) -.046(4) .928(2) .108(17) Uiso ? ? C1125 .638(4) -.050(5) .941(2) .13(2) Uiso ? ? C1126 .688(3) .038(5) .910(3) .13(2) Uiso ? ? C1131 .650(3) .129(5) .699(2) .095(16) Uiso ? ? C1132 .702(3) .195(4) .662(2) .116(19) Uiso ? ? C1133 .646(5) .187(6) .586(4) .20(3) Uiso ? ? C1134 .668(5) .115(6) .566(3) .18(3) Uiso ? ? C1135 .614(3) .047(5) .597(3) .123(19) Uiso ? ? C1136 .663(3) .038(5) .670(3) .13(2) Uiso ? ? As12 .4866(3) .365(3) .8065(2) .054(3) Uani ? ? C1211 .471(3) .477(5) .849(2) .101(17) Uiso ? ? C1212 .553(3) .530(5) .868(2) .108(18) Uiso ? ? C1213 .548(4) .620(5) .903(3) .14(2) Uiso ? ? C1214 .456(4) .672(5) .892(3) .15(2) Uiso ? ? C1215 .379(4) .628(6) .866(3) .17(3) Uiso ? ? C1216 .390(3) .534(4) .836(2) .084(15) Uiso ? ? C1221 .432(2) .386(4) .7125(15) .037(9) Uiso ? ? C1222 .439(3) .294(5) .678(2) .106(17) Uiso ? ? C1223 .389(3) .307(5) .601(2) .121(19) Uiso ? ? C1224 .442(3) .386(4) .5755(18) .071(13) Uiso ? ? C1225 .444(3) .472(4) .609(2) .074(13) Uiso ? ? C1226 .483(3) .457(4) .684(2) .086(14) Uiso ? ? C1231 .400(4) .284(5) .839(3) .12(2) Uiso ? ? C1232 .409(4) .271(5) .914(3) .15(2) Uiso ? ? C1233 .358(5) .163(7) .924(3) .22(3) Uiso ? ? C1234 .273(4) .188(5) .913(3) .16(3) Uiso ? ? C1235 .254(3) .191(5) .835(2) .12(2) Uiso ? ? C1236 .323(6) .290(8) .829(4) .27(4) Uiso ? ? As21 1.0216(3) .513(3) .71887(18) .050(3) Uani ? ? C2111 1.035(3) .390(4) .6716(18) .069(13) Uiso ? ? C2112 .948(3) .350(4) .657(2) .091(15) Uiso ? ? C2113 .959(3) .258(5) .611(2) .097(17) Uiso ? ? C2114 1.031(4) .197(5) .637(2) .13(2) Uiso ? ? C2115 1.120(3) .249(5) .648(2) .111(18) Uiso ? ? C2116 1.114(3) .330(4) .695(2) .089(15) Uiso ? ? C2121 1.078(2) .491(4) .8078(16) .048(11) Uiso ? ? C2122 1.014(3) .431(4) .842(2) .081(14) Uiso ? ? C2123 1.058(3) .410(5) .913(2) .115(18) Uiso ? ? C2124 1.081(3) .500(4) .950(2) .089(15) Uiso ? ? C2125 1.145(3) .550(5) .917(2) .120(19) Uiso ? ? C2126 1.105(3) .570(4) .8441(18) .068(12) Uiso ? ? C2131 1.107(3) .600(4) .6861(18) .063(12) Uiso ? ? C2132 1.074(3) .616(4) .611(2) .082(14) Uiso ? ? C2133 1.129(3) .700(4) .587(2) .091(15) Uiso ? ? C2134 1.225(3) .666(4) .5950(19) .082(13) Uiso ? ? C2135 1.264(2) .645(4) .6681(19) .079(13) Uiso ? ? C2136 1.203(3) .567(4) .6849(18) .081(13) Uiso ? ? As22 .7764(3) .668(3) .62047(18) .054(3) Uani ? ? C2211 .835(3) .790(5) .596(3) .12(2) Uiso ? ? C2212 .891(3) .830(4) .647(2) .097(16) Uiso ? ? C2213 .943(4) .912(5) .623(3) .12(2) Uiso ? ? C2214 .911(4) .960(5) .568(3) .13(2) Uiso ? ? C2215 .856(3) .911(4) .513(2) .095(16) Uiso ? ? C2216 .803(3) .828(5) .535(3) .119(19) Uiso ? ? C2221 .661(4) .720(5) .645(3) .15(2) Uiso ? ? C2222 .646(4) .740(5) .700(3) .12(2) Uiso ? ? C2223 .558(3) .762(4) .715(2) .108(17) Uiso ? ? C2224 .489(4) .795(5) .659(3) .14(2) Uiso ? ? C2225 .497(3) .757(4) .604(2) .093(16) Uiso ? ? C2226 .588(3) .739(4) .583(2) .092(15) Uiso ? ? C2231 .752(2) .595(4) .5418(17) .059(11) Uiso ? ? C2232 .696(3) .512(5) .551(2) .095(15) Uiso ? ? C2233 .675(3) .454(4) .488(2) .100(16) Uiso ? ? C2234 .760(3) .430(5) .461(2) .113(18) Uiso ? ? C2235 .822(3) .505(4) .452(2) .094(15) Uiso ? ? C2236 .843(3) .563(4) .515(2) .082(14) Uiso ? ? Ag3 .7428(3) .442(3) .2670(2) .132(3) Uani ? ? C31 .656(4) .526(5) .297(3) .13(2) Uiso ? ? N31 .610(3) .571(5) .330(2) .18(2) Uiso ? ? C32 .833(3) .357(5) .230(2) .103(17) Uiso ? ? N32 .887(3) .318(4) .2149(18) .115(15) Uiso ? ? H12 .81436 .41472 .90204 .09170 Uiso ? ? H13 .88308 .46173 1.00785 .14550 Uiso ? ? H14 .83090 .40563 1.09832 .14720 Uiso ? ? H15 .69479 .32407 1.08976 .12590 Uiso ? ? H16 .63748 .27519 .98363 .10390 Uiso ? ? H22 .76124 .60446 .84627 .12060 Uiso ? ? H23 .77548 .66164 .95234 .13240 Uiso ? ? H24 .88430 .75533 .98276 .16750 Uiso ? ? H25 .96080 .83069 .91315 .12970 Uiso ? ? H26 .95509 .76888 .79958 .13090 Uiso ? ? H1111 .83813 .13679 .75788 .14680 Uiso ? ? H1112a .85134 .15783 .89679 .15250 Uiso ? ? H1112e .85551 .24187 .85041 .15250 Uiso ? ? H1113a 1.01369 .20322 .83225 .22600 Uiso ? ? H1113e 1.01705 .19148 .90727 .22600 Uiso ? ? H1114a 1.00787 .03705 .89897 .13440 Uiso ? ? H1114e 1.07927 .06499 .85434 .13440 Uiso ? ? H1115a .97376 .05061 .76292 .24250 Uiso ? ? H1115e .97707 -.04178 .80162 .24250 Uiso ? ? H1116a .84920 -.00322 .84064 .14260 Uiso ? ? H1116e .83444 -.00610 .76479 .14260 Uiso ? ? H1121 .67641 -.01474 .81282 .09480 Uiso ? ? H1122a .53783 .09362 .84872 .14630 Uiso ? ? H1122e .53302 .04402 .78164 .14630 Uiso ? ? H1123a .52668 -.10451 .83768 .15220 Uiso ? ? H1123e .44434 -.04368 .84907 .15220 Uiso ? ? H1124a .52527 .01458 .94523 .13020 Uiso ? ? H1124e .52008 -.09247 .95062 .13020 Uiso ? ? H1125a .66006 -.10271 .92453 .16120 Uiso ? ? H1125e .65721 -.04624 .98819 .16120 Uiso ? ? H1126a .66913 .09839 .92732 .16530 Uiso ? ? H1126e .75193 .03685 .91818 .16530 Uiso ? ? H1131 .58675 .14264 .69617 .11980 Uiso ? ? H1132a .76438 .18310 .66467 .14500 Uiso ? ? H1132e .69679 .26128 .67618 .14500 Uiso ? ? H1133a .59049 .20096 .58621 .29150 Uiso ? ? H1133e .67877 .23290 .56061 .29150 Uiso ? ? H1134a .72219 .10201 .56646 .23580 Uiso ? ? H1134e .63351 .11956 .51928 .23580 Uiso ? ? H1135a .55345 .06799 .59779 .13960 Uiso ? ? H1135e .61647 -.00805 .57576 .13960 Uiso ? ? H1136a .72539 .02751 .66962 .15580 Uiso ? ? H1136e .63540 -.00655 .69159 .15580 Uiso ? ? H1211 .44873 .44458 .88265 .12720 Uiso ? ? H1212a .58037 .54673 .83073 .13570 Uiso ? ? H1212e .59318 .49601 .89763 .13570 Uiso ? ? H1213a .56368 .61311 .94860 .16740 Uiso ? ? H1213e .59282 .66404 .88861 .16740 Uiso ? ? H1214a .46426 .72561 .86450 .20160 Uiso ? ? H1214e .44569 .69575 .93367 .20160 Uiso ? ? H1215a .34219 .62852 .89945 .21600 Uiso ? ? H1215e .35146 .67401 .83256 .21600 Uiso ? ? H1216a .37946 .54784 .79013 .10650 Uiso ? ? H1216e .34085 .50287 .84881 .10650 Uiso ? ? H1221 .37026 .40961 .70897 .04340 Uiso ? ? H1222a .50150 .28352 .67883 .13390 Uiso ? ? H1222e .41008 .25181 .69971 .13390 Uiso ? ? H1223a .32706 .32625 .59917 .15160 Uiso ? ? H1223e .39443 .25501 .57659 .15160 Uiso ? ? H1224a .50393 .36943 .57646 .09090 Uiso ? ? H1224e .41783 .40037 .53067 .09090 Uiso ? ? H1225a .38383 .50066 .60585 .08680 Uiso ? ? H1225e .48156 .51945 .59094 .08680 Uiso ? ? H1226a .54285 .43974 .68623 .10580 Uiso ? ? H1226e .47810 .51518 .70685 .10580 Uiso ? ? H1231 .42860 .23607 .83241 .14010 Uiso ? ? H1232a .39136 .32427 .93579 .18990 Uiso ? ? H1232e .47387 .26154 .92804 .18990 Uiso ? ? H1233a .37307 .12806 .90543 .29050 Uiso ? ? H1233e .36085 .16751 .97362 .29050 Uiso ? ? H1234a .25053 .23841 .93123 .21890 Uiso ? ? H1234e .24371 .13141 .92505 .21890 Uiso ? ? H1235a .26302 .13826 .81433 .14950 Uiso ? ? H1235e .19132 .21390 .82238 .14950 Uiso ? ? H1236a .29593 .32860 .83785 .38660 Uiso ? ? H1236e .32285 .27402 .77864 .38660 Uiso ? ? H2111 1.05853 .40349 .63108 .08400 Uiso ? ? H2112a .92463 .33676 .69582 .11080 Uiso ? ? H2112e .90751 .39647 .63284 .11080 Uiso ? ? H2113a .96722 .28077 .56966 .12200 Uiso ? ? H2113e .90329 .22664 .60957 .12200 Uiso ? ? H2114a 1.01883 .17527 .67684 .15930 Uiso ? ? H2114e 1.03565 .15347 .60586 .15930 Uiso ? ? H2115a 1.13235 .27698 .60741 .13250 Uiso ? ? H2115e 1.16553 .21239 .66587 .13250 Uiso ? ? H2116a 1.10819 .31178 .73765 .10260 Uiso ? ? H2116e 1.16863 .37036 .69765 .10260 Uiso ? ? H2121 1.13471 .46423 .80630 .06200 Uiso ? ? H2122a .95723 .46504 .84300 .09590 Uiso ? ? H2122e 1.00180 .37680 .81856 .09590 Uiso ? ? H2123a 1.11369 .37965 .91160 .15050 Uiso ? ? H2123e 1.01917 .37696 .93526 .15050 Uiso ? ? H2124a 1.02697 .53890 .95099 .11300 Uiso ? ? H2124e 1.10652 .49050 .99444 .11300 Uiso ? ? H2125a 1.19792 .51730 .91821 .14810 Uiso ? ? H2125e 1.15875 .61032 .93963 .14810 Uiso ? ? H2126a 1.05336 .61384 .84334 .08520 Uiso ? ? H2126e 1.14992 .60568 .82354 .08520 Uiso ? ? H2131 1.10788 .65512 .71567 .07900 Uiso ? ? H2132a 1.08507 .56703 .58757 .09370 Uiso ? ? H2132e 1.01124 .63465 .60546 .09370 Uiso ? ? H2133a 1.12217 .75812 .61288 .10620 Uiso ? ? H2133e 1.10588 .71838 .54241 .10620 Uiso ? ? H2134a 1.22717 .61773 .56774 .09200 Uiso ? ? H2134e 1.26070 .71899 .57897 .09200 Uiso ? ? H2135a 1.25967 .69884 .69469 .09000 Uiso ? ? H2135e 1.32468 .62711 .66979 .09000 Uiso ? ? H2136a 1.20353 .52208 .65294 .09630 Uiso ? ? H2136e 1.22803 .54668 .72639 .09630 Uiso ? ? H2211 .88435 .75935 .57917 .14960 Uiso ? ? H2212a .85479 .85495 .67869 .11690 Uiso ? ? H2212e .93434 .79006 .66751 .11690 Uiso ? ? H2213a 1.00164 .89510 .61797 .14780 Uiso ? ? H2213e .94743 .96202 .65695 .14780 Uiso ? ? H2214a .87706 1.01512 .57757 .16620 Uiso ? ? H2214e .96326 .98579 .54813 .16620 Uiso ? ? H2215a .89199 .89204 .48200 .12300 Uiso ? ? H2215e .81124 .95671 .49070 .12300 Uiso ? ? H2216a .74309 .85385 .53738 .15000 Uiso ? ? H2216e .80154 .78672 .50183 .15000 Uiso ? ? H2221 .64282 .65230 .65094 .17880 Uiso ? ? H2222a .68329 .80121 .70555 .15440 Uiso ? ? H2222e .67541 .70064 .73076 .15440 Uiso ? ? H2223a .53362 .71169 .73350 .13990 Uiso ? ? H2223e .56247 .81358 .74857 .13990 Uiso ? ? H2224a .49678 .86417 .65249 .17250 Uiso ? ? H2224e .42950 .78716 .66687 .17250 Uiso ? ? H2225a .46771 .70197 .60176 .11300 Uiso ? ? H2225e .46608 .79864 .56872 .11300 Uiso ? ? H2226a .60752 .79618 .56222 .11110 Uiso ? ? H2226e .58231 .69247 .55150 .11110 Uiso ? ? H2231 .71868 .63973 .51010 .07670 Uiso ? ? H2232a .72767 .47943 .58461 .12310 Uiso ? ? H2232e .63997 .53622 .56397 .12310 Uiso ? ? H2233a .63628 .49048 .45579 .11870 Uiso ? ? H2233e .64596 .40096 .49780 .11870 Uiso ? ? H2234a .79057 .38932 .48948 .13850 Uiso ? ? H2234e .74106 .40519 .41925 .13850 Uiso ? ? H2235a .79632 .54797 .41667 .11400 Uiso ? ? H2235e .87734 .48327 .44045 .11400 Uiso ? ? H2236a .87709 .52964 .54752 .10200 Uiso ? ? H2236e .87722 .61964 .50641 .10200 Uiso ? ? loop_ _atom_site_aniso_label #ActaC _atom_site_aniso_U_11 #ActaC _atom_site_aniso_U_22 #ActaC _atom_site_aniso_U_33 #ActaC _atom_site_aniso_U_12 #ActaC _atom_site_aniso_U_13 #ActaC _atom_site_aniso_U_23 #ActaC Ag1 .054(2) .052(2) .077(3) .0044(19) .0023(18) .000(2) Ag2 .057(2) .067(3) .052(2) .005(2) .0038(16) .019(2) As11 .064(3) .056(3) .061(3) -.001(3) .005(2) -.003(3) As12 .045(3) .057(3) .057(3) -.003(2) .002(2) -.003(3) As21 .053(3) .053(3) .041(3) .000(2) -.000(2) .006(2) As22 .064(3) .048(3) .046(3) .005(2) -.005(2) .006(2) Ag3 .143(4) .129(4) .118(3) .012(3) -.010(3) .023(3) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details sfls:_F____sigma_weight______full_matrix _refine_ls_structure_factor_coef F #ActaC _refine_ls_matrix_type full #ActaC _refine_ls_weighting_scheme sigma #ActaC _refine_ls_hydrogen_treatment ? #ActaC _refine_ls_extinction_method none #ActaC _refine_ls_extinction_coef .00000 #ActaC _refine_ls_extinction_expression ? _refine_ls_abs_structure_details none #ActaC _refine_ls_abs_structure_Flack 0 #ActaC _refine_ls_number_reflns 2839 #ActaC _refine_ls_number_parameters 424 #ActaC _refine_ls_number_restraints 0 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .164 #ActaC _refine_ls_R_factor_obs .075 #ActaC _refine_ls_wR_factor_all .095 #ActaC _refine_ls_wR_factor_obs .07 #ActaC _refine_ls_goodness_of_fit_all 1.471 #ActaC _refine_ls_goodness_of_fit_obs 1.902 #ActaC _refine_ls_shift/esd_max .133 #ActaC _refine_ls_shift/esd_mean .006 #ActaC _refine_diff_density_min -.726 #ActaC _refine_diff_density_max .923 #ActaC _geom_special_details ? #ActaC loop_ _geom_bond_atom_site_label_1 #ActaC _geom_bond_atom_site_label_2 #ActaC _geom_bond_distance #ActaC _geom_bond_site_symmetry_1 #ActaC _geom_bond_site_symmetry_2 #ActaC _geom_bond_publ_flag #ActaC Ag1 C 2.34(5) . . ? Ag1 N11 2.49(3) . . ? Ag1 As11 2.54(5) . . ? Ag1 As12 2.55(2) . . ? Ag2 N 2.40(5) . . ? Ag2 N21 2.58(4) . . ? Ag2 As21 2.569(19) . . ? Ag2 As22 2.55(3) . . ? C N .84(6) . . ? N11 C12 1.29(6) . . ? N11 C16 1.33(6) . . ? C12 C13 1.42(7) . . ? C12 H12 .97(5) . . ? C13 C14 1.34(8) . . ? C13 H13 .99(6) . . ? C14 C15 1.35(8) . . ? C14 H14 .96(5) . . ? C15 C16 1.40(6) . . ? C15 H15 .93(5) . . ? C16 H16 .93(5) . . ? N21 C22 1.27(6) . . ? N21 C26 1.36(7) . . ? C22 C23 1.37(7) . . ? C22 H22 .91(5) . . ? C23 C24 1.28(9) . . ? C23 H23 .93(5) . . ? C24 C25 1.30(8) . . ? C24 H24 .96(5) . . ? C25 C26 1.48(7) . . ? C25 H25 1.01(6) . . ? C26 H26 .96(5) . . ? As11 C1111 1.89(5) . . ? As11 C1121 1.93(6) . . ? As11 C1131 2.02(4) . . ? C1111 C1112 1.50(8) . . ? C1111 C1116 1.50(9) . . ? C1111 H1111 .93(5) . . ? C1112 C1113 1.79(8) . . ? C1112 H1112a .96(5) . . ? C1112 H1112e .97(6) . . ? C1113 C1114 1.49(11) . . ? C1113 H1113a .96(7) . . ? C1113 H1113e 1.00(6) . . ? C1114 C1115 1.50(8) . . ? C1114 H1114a .92(5) . . ? C1114 H1114e .97(5) . . ? C1115 C1116 1.51(8) . . ? C1115 H1115a .91(7) . . ? C1115 H1115e .92(8) . . ? C1116 H1116a .93(5) . . ? C1116 H1116e .92(5) . . ? C1121 C1122 1.48(7) . . ? C1121 C1126 1.58(6) . . ? C1121 H1121 .91(5) . . ? C1122 C1123 1.62(9) . . ? C1122 H1122a .99(6) . . ? C1122 H1122e .96(5) . . ? C1123 C1124 1.52(7) . . ? C1123 H1123a .90(6) . . ? C1123 H1123e .95(5) . . ? C1124 C1125 1.40(7) . . ? C1124 H1124a .98(6) . . ? C1124 H1124e .91(6) . . ? C1125 C1126 1.64(9) . . ? C1125 H1125a .91(7) . . ? C1125 H1125e .98(5) . . ? C1126 H1126a 1.00(7) . . ? C1126 H1126e .95(5) . . ? C1131 C1132 1.51(8) . . ? C1131 C1136 1.47(9) . . ? C1131 H1131 .96(4) . . ? C1132 C1133 1.69(9) . . ? C1132 H1132a .93(5) . . ? C1132 H1132e 1.00(6) . . ? C1133 C1134 1.18(13) . . ? C1133 H1133a .85(8) . . ? C1133 H1133e 1.01(9) . . ? C1134 C1135 1.48(10) . . ? C1134 H1134a .83(7) . . ? C1134 H1134e 1.03(7) . . ? C1135 C1136 1.59(7) . . ? C1135 H1135a .95(5) . . ? C1135 H1135e .91(6) . . ? C1136 H1136a .94(5) . . ? C1136 H1136e .91(6) . . ? As12 C1211 1.86(7) . . ? As12 C1221 2.02(3) . . ? As12 C1231 1.93(7) . . ? As12 H1211 2.08(2) . . ? C1211 C1212 1.46(8) . . ? C1211 C1216 1.45(8) . . ? C1211 H1211 .93(5) . . ? C1212 C1213 1.49(10) . . ? C1212 H1212a .95(5) . . ? C1212 H1212e .94(5) . . ? C1213 C1214 1.56(9) . . ? C1213 H1213a .95(5) . . ? C1213 H1213e .99(7) . . ? C1214 C1215 1.36(9) . . ? C1214 H1214a .97(7) . . ? C1214 H1214e .96(6) . . ? C1215 C1216 1.51(10) . . ? C1215 H1215a .93(7) . . ? C1215 H1215e 1.01(7) . . ? C1216 H1216a .96(4) . . ? C1216 H1216e .93(5) . . ? C1221 C1222 1.51(8) . . ? C1221 C1226 1.46(7) . . ? C1221 H1221 .98(3) . . ? C1222 C1223 1.67(6) . . ? C1222 H1222a .94(4) . . ? C1222 H1222e .90(6) . . ? C1223 C1224 1.52(8) . . ? C1223 H1223a .97(5) . . ? C1223 H1223e .91(7) . . ? C1224 C1225 1.42(8) . . ? C1224 H1224a .95(4) . . ? C1224 H1224e .97(4) . . ? C1225 C1226 1.58(6) . . ? C1225 H1225a .98(4) . . ? C1225 H1225e .99(5) . . ? C1226 H1226a .92(4) . . ? C1226 H1226e .97(6) . . ? C1231 C1232 1.54(8) . . ? C1231 C1236 1.15(11) . . ? C1231 H1231 .83(7) . . ? C1232 C1233 1.76(12) . . ? C1232 H1232a .95(7) . . ? C1232 H1232e .98(5) . . ? C1233 C1234 1.29(10) . . ? C1233 H1233a .70(9) . . ? C1233 H1233e 1.01(7) . . ? C1234 C1235 1.60(8) . . ? C1234 H1234a .90(7) . . ? C1234 H1234e .98(8) . . ? C1235 C1236 1.77(12) . . ? C1235 H1235a .90(6) . . ? C1235 H1235e .99(5) . . ? C1236 H1236a .72(10) . . ? C1236 H1236e 1.06(9) . . ? As21 C2111 2.05(7) . . ? As21 C2121 1.94(3) . . ? As21 C2131 1.97(5) . . ? C2111 C2112 1.42(7) . . ? C2111 C2116 1.48(7) . . ? C2111 H2111 .97(4) . . ? C2112 C2113 1.65(8) . . ? C2112 H2112a .93(5) . . ? C2112 H2112e 1.00(5) . . ? C2113 C2114 1.43(8) . . ? C2113 H2113a .94(5) . . ? C2113 H2113e .94(5) . . ? C2114 C2115 1.51(8) . . ? C2114 H2114a .92(5) . . ? C2114 H2114e .91(6) . . ? C2115 C2116 1.54(8) . . ? C2115 H2115a .96(5) . . ? C2115 H2115e .91(5) . . ? C2116 H2116a .93(4) . . ? C2116 H2116e 1.00(5) . . ? C2121 C2122 1.52(6) . . ? C2121 C2126 1.39(7) . . ? C2121 H2121 .94(4) . . ? C2122 C2123 1.55(6) . . ? C2122 H2122a .98(5) . . ? C2122 H2122e .92(5) . . ? C2123 C2124 1.53(9) . . ? C2123 H2123a .94(5) . . ? C2123 H2123e .92(6) . . ? C2124 C2125 1.44(8) . . ? C2124 H2124a .99(5) . . ? C2124 H2124e .95(4) . . ? C2125 C2126 1.57(6) . . ? C2125 H2125a .92(5) . . ? C2125 H2125e .99(6) . . ? C2126 H2126a 1.00(5) . . ? C2126 H2126e .99(5) . . ? C2131 C2132 1.57(5) . . ? C2131 C2136 1.51(6) . . ? C2131 H2131 1.00(5) . . ? C2132 C2133 1.58(8) . . ? C2132 H2132a .89(6) . . ? C2132 H2132e .96(4) . . ? C2133 C2134 1.50(6) . . ? C2133 H2133a 1.00(6) . . ? C2133 H2133e .97(4) . . ? C2134 C2135 1.57(5) . . ? C2134 H2134a .90(5) . . ? C2134 H2134e 1.02(5) . . ? C2135 C2136 1.52(8) . . ? C2135 H2135a .96(5) . . ? C2135 H2135e .94(4) . . ? C2136 H2136a .92(5) . . ? C2136 H2136e .93(4) . . ? As22 C2211 2.05(8) . . ? As22 C2221 2.01(6) . . ? As22 C2231 1.92(5) . . ? C2211 C2212 1.37(7) . . ? C2211 C2216 1.39(8) . . ? C2211 H2211 .96(6) . . ? C2212 C2213 1.54(9) . . ? C2212 H2212a .98(5) . . ? C2212 H2212e .92(5) . . ? C2213 C2214 1.36(8) . . ? C2213 H2213a .92(6) . . ? C2213 H2213e 1.00(6) . . ? C2214 C2215 1.48(7) . . ? C2214 H2214a .98(7) . . ? C2214 H2214e 1.00(6) . . ? C2215 C2216 1.53(9) . . ? C2215 H2215a .93(5) . . ? C2215 H2215e 1.00(5) . . ? C2216 H2216a .98(5) . . ? C2216 H2216e .91(6) . . ? C2221 C2222 1.23(9) . . ? C2221 C2226 1.59(7) . . ? C2221 H2221 1.02(7) . . ? C2222 C2223 1.42(8) . . ? C2222 H2222a 1.04(7) . . ? C2222 H2222e .92(6) . . ? C2223 C2224 1.51(7) . . ? C2223 H2223a .92(6) . . ? C2223 H2223e 1.01(6) . . ? C2224 C2225 1.28(8) . . ? C2224 H2224a 1.01(8) . . ? C2224 H2224e .93(6) . . ? C2225 C2226 1.50(7) . . ? C2225 H2225a .90(6) . . ? C2225 H2225e 1.01(5) . . ? C2226 H2226a .99(6) . . ? C2226 H2226e .92(5) . . ? C2231 C2232 1.50(8) . . ? C2231 C2236 1.60(6) . . ? C2231 H2231 1.00(4) . . ? C2232 C2233 1.56(7) . . ? C2232 H2232a .91(5) . . ? C2232 H2232e .96(5) . . ? C2233 C2234 1.48(7) . . ? C2233 H2233a .97(5) . . ? C2233 H2233e .91(6) . . ? C2234 C2235 1.47(8) . . ? C2234 H2234a .90(5) . . ? C2234 H2234e .95(5) . . ? C2235 C2236 1.55(7) . . ? C2235 H2235a .99(5) . . ? C2235 H2235e .93(5) . . ? C2236 H2236a .91(5) . . ? C2236 H2236e 1.00(6) . . ? Ag3 C31 1.94(7) . . ? Ag3 C32 2.04(6) . . ? C31 N31 1.21(8) . . ? C32 N32 1.06(7) . . ? loop_ _geom_contact_atom_site_label_1 #ActaC _geom_contact_atom_site_label_2 #ActaC _geom_contact_distance #ActaC _geom_contact_site_symmetry_1 #ActaC _geom_contact_site_symmetry_2 #ActaC _geom_contact_publ_flag #ActaC Ag1 N 3.18(5) . . ? Ag1 C12 3.27(5) . . ? Ag1 C16 3.45(5) . . ? Ag1 C1111 3.83(7) . . ? Ag1 C1112 3.76(6) . . ? Ag1 C1121 3.90(7) . . ? Ag1 C1122 4.11(7) . . ? Ag1 C1126 4.28(8) . . ? Ag1 C1131 3.55(6) . . ? Ag1 C1132 3.79(6) . . ? Ag1 C1211 3.75(6) . . ? Ag1 C1212 3.75(7) . . ? Ag1 C1221 3.84(3) . . ? Ag1 C1222 3.98(4) . . ? Ag1 C1226 4.12(5) . . ? Ag1 C1231 3.79(6) . . ? Ag1 H12 3.22(2) . . ? Ag1 H16 3.436(6) . . ? Ag1 H1111 4.04(2) . . ? Ag1 H1112a 3.84(2) . . ? Ag1 H1112e 3.182(12) . . ? Ag1 H1122a 3.55(3) . . ? Ag1 H1122e 4.16(4) . . ? Ag1 H1126a 3.70(3) . . ? Ag1 H1131 3.49(3) . . ? Ag1 H1132a 4.210(17) . . ? Ag1 H1132e 3.199(8) . . ? Ag1 H1211 3.97(2) . . ? Ag1 H1212a 3.66(4) . . ? Ag1 H1212e 3.36(3) . . ? Ag1 H1222a 3.411(5) . . ? Ag1 H1222e 4.120(8) . . ? Ag1 H1226a 3.57(2) . . ? Ag1 H1231 3.470(12) . . ? Ag1 H1232e 3.710(7) . . ? Ag2 C 3.23(6) . . ? Ag2 C22 3.37(5) . . ? Ag2 C26 3.45(6) . . ? Ag2 C2111 3.89(6) . . ? Ag2 C2112 3.71(7) . . ? Ag2 C2121 3.76(4) . . ? Ag2 C2122 3.85(5) . . ? Ag2 C2126 4.26(4) . . ? Ag2 C2131 3.86(4) . . ? Ag2 C2132 4.14(4) . . ? Ag2 C2211 3.97(7) . . ? Ag2 C2212 4.04(7) . . ? Ag2 C2221 3.76(7) . . ? Ag2 C2222 3.97(7) . . ? Ag2 C2231 3.69(3) . . ? Ag2 C2232 3.94(4) . . ? Ag2 C2236 4.07(4) . . ? Ag2 H22 3.297(7) . . ? Ag2 H26 3.58(3) . . ? Ag2 H2112a 3.55(4) . . ? Ag2 H2112e 3.16(3) . . ? Ag2 H2122a 3.254(19) . . ? Ag2 H2122e 3.98(3) . . ? Ag2 H2126a 3.738(7) . . ? Ag2 H2131 3.919(13) . . ? Ag2 H2132e 3.529(11) . . ? Ag2 H2211 3.95(3) . . ? Ag2 H2212a 4.17(4) . . ? Ag2 H2212e 3.54(4) . . ? Ag2 H2221 3.485(14) . . ? Ag2 H2222a 4.21(3) . . ? Ag2 H2222e 3.36(2) . . ? Ag2 H2232a 3.335(16) . . ? Ag2 H2232e 4.186(6) . . ? Ag2 H2236a 3.525(7) . . ? C N11 3.55(5) . . ? C C12 3.47(5) . . ? C C22 3.90(8) . . ? C As11 3.95(7) . . ? C C1132 3.84(8) . . ? C As12 3.96(4) . . ? C H12 2.79(3) . . ? C H22 3.18(5) . . ? C H1112e 3.31(5) . . ? C H1132e 2.93(5) . . ? C H1212a 3.41(4) . . ? C H1212e 3.80(4) . . ? C H1226a 3.21(3) . . ? C H2112a 3.53(4) . . ? C H2122a 3.49(3) . . ? C H2122e 3.95(3) . . ? C H2232a 3.96(4) . . ? N C12 3.96(5) . . ? N N21 3.62(7) . . ? N C22 3.55(7) . . ? N As21 4.12(3) . . ? N C2112 3.91(6) . . ? N C2122 3.99(5) . . ? N As22 4.12(5) . . ? N H12 3.17(3) . . ? N H22 2.93(4) . . ? N H1112e 3.85(4) . . ? N H1132e 3.26(5) . . ? N H1212a 3.59(3) . . ? N H1226a 3.34(3) . . ? N H2112a 3.30(4) . . ? N H2112e 3.58(3) . . ? N H2122a 3.27(3) . . ? N H2122e 3.84(3) . . ? N H2221 3.81(4) . . ? N H2222e 3.78(5) . . ? N H2232a 3.42(3) . . ? N11 C13 2.35(6) . . ? N11 C14 2.74(6) . . ? N11 C15 2.45(6) . . ? N11 As11 4.05(5) . . ? N11 C1112 3.81(7) . . ? N11 As12 4.03(3) . . ? N11 C1212 3.78(7) . . ? N11 H12 1.98(4) . . ? N11 H13 3.23(4) . . ? N11 H14 3.71(3) . . ? N11 H15 3.29(3) . . ? N11 H16 1.93(4) . . ? N11 H1112a 3.48(4) . . ? N11 H1112e 3.21(4) . . ? N11 H1126a 3.58(5) . . ? N11 H1212e 2.91(4) . . ? N11 H1232e 3.78(3) . . ? C12 C14 2.39(6) . . ? C12 C15 2.78(7) . . ? C12 C16 2.23(7) . . ? C12 C1112 3.84(8) . . ? C12 H13 2.10(4) . . ? C12 H14 3.25(4) . . ? C12 H15 3.70(4) . . ? C12 H16 3.05(5) . . ? C12 H22 3.61(6) . . ? C12 H23 3.90(6) . . ? C12 H1112a 3.66(6) . . ? C12 H1112e 3.10(5) . . ? C12 H1212e 3.28(5) . . ? C12 H2122a 3.57(5) . . ? C12 H2123e 3.45(4) . . ? C13 C15 2.35(8) . . ? C13 C16 2.60(8) . . ? C13 C1114 3.98(8) . 2_757 ? C13 H12 2.07(6) . . ? C13 H14 1.97(6) . . ? C13 H15 3.19(6) . . ? C13 H16 3.53(6) . . ? C13 H23 3.71(7) . . ? C13 H25 3.58(5) . 2_747 ? C13 H1114a 3.38(5) . 2_757 ? C13 H1114e 3.72(6) . 2_757 ? C13 H1234e 3.64(7) . 2_657 ? C13 H2123e 3.36(5) . . ? C13 H2124a 3.68(6) . . ? C14 C16 2.28(7) . . ? C14 C1114 3.98(8) . 2_757 ? C14 H12 3.25(5) . . ? C14 H13 2.02(6) . . ? C14 H15 2.00(6) . . ? C14 H16 3.11(5) . . ? C14 H25 3.64(5) . 2_747 ? C14 H1114a 3.61(6) . 2_757 ? C14 H1114e 3.51(6) . 2_757 ? C14 H1234e 3.60(7) . 2_657 ? C15 C1214 3.84(9) . 2_647 ? C15 C1215 3.85(10) . 2_647 ? C15 H12 3.74(5) . . ? C15 H13 3.24(5) . . ? C15 H14 2.02(5) . . ? C15 H16 1.98(5) . . ? C15 H1123e 3.81(5) . 2_657 ? C15 H1124e 3.73(5) . 2_657 ? C15 H1214a 3.80(5) . 2_647 ? C15 H1214e 3.26(5) . 2_647 ? C15 H1215a 3.34(6) . 2_647 ? C15 H1215e 3.61(6) . 2_647 ? C15 H2125e 3.72(6) . 2_747 ? C16 H12 3.13(5) . . ? C16 H13 3.59(5) . . ? C16 H14 3.19(5) . . ? C16 H15 2.09(5) . . ? C16 H1112a 3.98(5) . . ? C16 H1124e 3.74(5) . 2_657 ? C16 H1126a 3.35(6) . . ? C16 H1212e 3.41(6) . . ? C16 H1214e 3.21(5) . 2_647 ? C16 H1215a 3.61(6) . 2_647 ? C16 H1232e 3.34(4) . . ? C16 H2125e 3.90(5) . 2_747 ? N21 C23 2.34(6) . . ? N21 C24 2.65(6) . . ? N21 C25 2.34(7) . . ? N21 As21 4.06(5) . . ? N21 C2126 3.91(5) . . ? N21 As22 4.09(3) . . ? N21 C2222 3.85(6) . . ? N21 H22 1.89(4) . . ? N21 H23 3.19(3) . . ? N21 H24 3.60(3) . . ? N21 H25 3.29(4) . . ? N21 H26 2.10(4) . . ? N21 H2122a 3.31(5) . . ? N21 H2124a 3.94(3) . . ? N21 H2126a 2.99(3) . . ? N21 H2212a 3.92(4) . . ? N21 H2212e 3.85(4) . . ? N21 H2222a 3.76(4) . . ? N21 H2222e 3.08(3) . . ? C22 C24 2.25(8) . . ? C22 C25 2.61(8) . . ? C22 C26 2.31(8) . . ? C22 H12 3.43(6) . . ? C22 H23 2.06(5) . . ? C22 H24 3.10(5) . . ? C22 H25 3.61(5) . . ? C22 H26 3.21(5) . . ? C22 H1212a 3.63(5) . . ? C22 H1213e 3.34(5) . . ? C22 H2122a 3.47(5) . . ? C22 H2124a 3.87(5) . . ? C22 H2126a 3.75(4) . . ? C22 H2222e 3.17(5) . . ? C23 C25 2.27(8) . . ? C23 C26 2.79(7) . . ? C23 C1234 3.81(8) . 2_657 ? C23 H12 3.81(7) . . ? C23 H13 3.66(6) . . ? C23 H22 1.96(5) . . ? C23 H24 1.89(5) . . ? C23 H25 3.13(6) . . ? C23 H26 3.74(5) . . ? C23 H1125a 3.92(6) . 1_565 ? C23 H1213a 3.95(5) . . ? C23 H1213e 3.27(4) . . ? C23 H1233e 3.60(5) . 2_657 ? C23 H1234a 3.42(5) . 2_657 ? C23 H1234e 3.45(5) . 2_657 ? C23 H2124a 3.73(5) . . ? C24 C26 2.42(7) . . ? C24 C2123 3.98(8) . 2_757 ? C24 H22 3.05(6) . . ? C24 H23 1.91(6) . . ? C24 H25 1.95(7) . . ? C24 H26 3.26(6) . . ? C24 H1113e 3.46(5) . 2_757 ? C24 H1125a 3.89(6) . 1_565 ? C24 H1234a 3.49(6) . 2_657 ? C24 H1234e 3.87(6) . 2_657 ? C24 H2123a 3.70(6) . 2_757 ? C24 H2123e 3.50(6) . 2_757 ? C24 H2124a 3.67(7) . . ? C24 H2124e 3.88(7) . 2_757 ? C24 H2126a 3.95(6) . . ? C25 H22 3.51(5) . . ? C25 H23 3.09(5) . . ? C25 H24 1.97(5) . . ? C25 H26 2.11(5) . . ? C25 H1114a 3.98(6) . 1_565 ? C25 H1115e 3.44(6) . 1_565 ? C25 H1116a 3.53(6) . 1_565 ? C25 H2123e 3.76(5) . 2_757 ? C25 H2124a 3.84(6) . . ? C25 H2124e 3.90(6) . 2_757 ? C25 H2126a 3.30(6) . . ? C26 C2126 3.69(8) . . ? C26 C2212 3.94(7) . . ? C26 H22 3.11(6) . . ? C26 H23 3.72(5) . . ? C26 H24 3.30(5) . . ? C26 H25 2.20(6) . . ? C26 H1115e 3.33(7) . 1_565 ? C26 H1116a 3.86(7) . 1_565 ? C26 H2126a 2.70(6) . . ? C26 H2126e 3.97(5) . . ? C26 H2212a 3.52(5) . . ? C26 H2212e 3.44(5) . . ? C26 H2222e 3.94(5) . . ? As11 C1112 2.70(5) . . ? As11 C1115 4.27(7) . . ? As11 C1116 2.96(6) . . ? As11 C1122 2.82(6) . . ? As11 C1126 2.86(6) . . ? As11 C1132 2.83(5) . . ? As11 C1136 2.96(6) . . ? As11 As12 4.57(4) . . ? As11 H1111 2.258(5) . . ? As11 H1112a 2.865(5) . . ? As11 H1112e 2.81(2) . . ? As11 H1116a 3.10(3) . . ? As11 H1116e 3.03(3) . . ? As11 H1121 2.34(4) . . ? As11 H1122a 2.910(11) . . ? As11 H1122e 2.87(2) . . ? As11 H1126a 2.924(10) . . ? As11 H1126e 2.99(2) . . ? As11 H1131 2.468(4) . . ? As11 H1132a 3.005(9) . . ? As11 H1132e 2.97(2) . . ? As11 H1136a 3.12(2) . . ? As11 H1136e 3.09(3) . . ? As11 H1222a 4.10(2) . . ? C1111 C1113 2.70(8) . . ? C1111 C1114 3.01(7) . . ? C1111 C1115 2.48(9) . . ? C1111 C1121 3.01(7) . . ? C1111 C1126 3.50(8) . . ? C1111 C1131 3.13(6) . . ? C1111 C1132 3.36(7) . . ? C1111 C1136 3.57(7) . . ? C1111 H1112a 2.07(5) . . ? C1111 H1112e 2.07(6) . . ? C1111 H1113a 3.02(5) . . ? C1111 H1113e 3.51(5) . . ? C1111 H1114a 3.37(5) . . ? C1111 H1114e 3.85(5) . . ? C1111 H1115a 2.60(5) . . ? C1111 H1115e 3.21(6) . . ? C1111 H1116a 1.97(7) . . ? C1111 H1116e 1.95(7) . . ? C1111 H1121 3.01(6) . . ? C1111 H1126a 3.78(5) . . ? C1111 H1126e 3.07(6) . . ? C1111 H1131 3.93(5) . . ? C1111 H1132a 2.96(5) . . ? C1111 H1132e 3.62(5) . . ? C1111 H1136a 3.19(5) . . ? C1111 H1136e 3.84(5) . . ? C1112 C1114 2.69(8) . . ? C1112 C1115 2.96(10) . . ? C1112 C1116 2.49(9) . . ? C1112 C1121 3.77(7) . . ? C1112 C1126 3.68(8) . . ? C1112 H12 3.69(6) . . ? C1112 H1111 2.10(5) . . ? C1112 H1113a 2.28(5) . . ? C1112 H1113e 2.30(5) . . ? C1112 H1114a 2.92(6) . . ? C1112 H1114e 3.50(5) . . ? C1112 H1115a 3.19(6) . . ? C1112 H1115e 3.77(6) . . ? C1112 H1116a 2.63(6) . . ? C1112 H1116e 3.24(6) . . ? C1112 H1126a 3.69(5) . . ? C1112 H1126e 3.07(6) . . ? C1112 H2122e 3.63(6) . . ? C1112 H2123e 3.87(6) . . ? C1113 C1115 2.46(11) . . ? C1113 C1116 2.97(9) . . ? C1113 C2122 3.89(10) . . ? C1113 C2123 3.77(11) . . ? C1113 H24 3.68(6) . 2_747 ? C1113 H1111 2.97(6) . . ? C1113 H1112a 2.28(6) . . ? C1113 H1112e 2.29(7) . . ? C1113 H1114a 1.98(8) . . ? C1113 H1114e 1.97(8) . . ? C1113 H1115a 2.64(7) . . ? C1113 H1115e 3.24(8) . . ? C1113 H1116a 3.21(8) . . ? C1113 H1116e 3.80(7) . . ? C1113 H1234e 3.83(6) . 1_655 ? C1113 H1235e 3.29(7) . 1_655 ? C1113 H2114a 3.95(6) . . ? C1113 H2116a 3.95(7) . . ? C1113 H2122e 3.21(8) . . ? C1113 H2123a 3.66(8) . . ? C1113 H2123e 3.40(8) . . ? C1114 C1116 2.49(7) . . ? C1114 H13 3.29(5) . 2_747 ? C1114 H14 3.27(6) . 2_747 ? C1114 H25 3.68(7) . 1_545 ? C1114 H1111 3.32(5) . . ? C1114 H1112a 2.98(5) . . ? C1114 H1112e 3.48(6) . . ? C1114 H1113a 2.07(7) . . ? C1114 H1113e 2.07(7) . . ? C1114 H1115a 2.03(5) . . ? C1114 H1115e 1.99(6) . . ? C1114 H1116a 2.65(5) . . ? C1114 H1116e 3.28(5) . . ? C1114 H1234e 3.60(5) . 1_655 ? C1114 H1235e 3.55(6) . 1_655 ? C1114 H2124e 3.87(5) . 2_747 ? C1115 C2213 3.95(9) . 1_545 ? C1115 H14 3.83(7) . 2_747 ? C1115 H25 3.60(7) . 1_545 ? C1115 H26 3.63(8) . 1_545 ? C1115 H1111 2.58(7) . . ? C1115 H1112a 3.41(7) . . ? C1115 H1112e 3.79(8) . . ? C1115 H1113a 2.79(8) . . ? C1115 H1113e 3.33(7) . . ? C1115 H1114a 2.07(6) . . ? C1115 H1114e 2.02(6) . . ? C1115 H1116a 2.03(7) . . ? C1115 H1116e 2.01(7) . . ? C1115 H2114a 3.56(7) . . ? C1115 H2212a 3.68(7) . 1_545 ? C1115 H2213e 3.05(6) . 1_545 ? C1116 C1121 3.26(7) . . ? C1116 C1126 3.67(7) . . ? C1116 C1131 3.89(7) . . ? C1116 C1136 3.76(7) . . ? C1116 H25 3.76(6) . 1_545 ? C1116 H26 3.90(6) . 1_545 ? C1116 H1111 1.90(6) . . ? C1116 H1112a 2.79(6) . . ? C1116 H1112e 3.33(7) . . ? C1116 H1113a 3.44(6) . . ? C1116 H1113e 3.82(5) . . ? C1116 H1114a 2.74(4) . . ? C1116 H1114e 3.31(5) . . ? C1116 H1115a 1.97(5) . . ? C1116 H1115e 1.93(5) . . ? C1116 H1121 2.88(5) . . ? C1116 H1126e 3.11(5) . . ? C1116 H1132a 3.80(5) . . ? C1116 H1136a 3.19(4) . . ? C1116 H1136e 3.85(5) . . ? C1116 H2212a 3.49(6) . 1_545 ? C1116 H2213e 3.50(5) . 1_545 ? C1121 C1123 2.62(7) . . ? C1121 C1124 2.97(7) . . ? C1121 C1125 2.57(7) . . ? C1121 C1131 3.09(7) . . ? C1121 C1136 3.39(7) . . ? C1121 H1111 3.63(5) . . ? C1121 H1112a 3.51(5) . . ? C1121 H1116a 2.92(4) . . ? C1121 H1116e 3.24(5) . . ? C1121 H1122a 2.01(5) . . ? C1121 H1122e 2.00(4) . . ? C1121 H1123a 2.79(5) . . ? C1121 H1123e 3.40(5) . . ? C1121 H1124a 3.22(4) . . ? C1121 H1124e 3.81(5) . . ? C1121 H1125a 2.72(5) . . ? C1121 H1125e 3.39(4) . . ? C1121 H1126a 2.12(4) . . ? C1121 H1126e 2.10(4) . . ? C1121 H1131 3.28(4) . . ? C1121 H1136a 3.68(4) . . ? C1121 H1136e 2.97(4) . . ? C1121 H2223e 3.81(5) . 1_545 ? C1122 C1124 2.43(7) . . ? C1122 C1125 2.79(7) . . ? C1122 C1126 2.42(7) . . ? C1122 C1131 3.42(7) . . ? C1122 C1136 3.80(8) . . ? C1122 H1121 2.00(5) . . ? C1122 H1123a 2.10(7) . . ? C1122 H1123e 2.12(6) . . ? C1122 H1124a 2.56(5) . . ? C1122 H1124e 3.26(6) . . ? C1122 H1125a 3.11(5) . . ? C1122 H1125e 3.66(5) . . ? C1122 H1126a 2.64(5) . . ? C1122 H1126e 3.25(5) . . ? C1122 H1131 3.19(5) . . ? C1122 H1136e 3.24(5) . . ? C1122 H1231 3.46(6) . . ? C1122 H1233a 3.60(5) . . ? C1122 H2223e 3.61(6) . 1_545 ? C1123 C1125 2.43(7) . . ? C1123 C1126 3.04(7) . . ? C1123 H15 3.81(6) . 2_647 ? C1123 H1121 2.82(5) . . ? C1123 H1122a 2.16(7) . . ? C1123 H1122e 2.13(6) . . ? C1123 H1124a 2.07(6) . . ? C1123 H1124e 2.03(5) . . ? C1123 H1125a 2.61(5) . . ? C1123 H1125e 3.28(5) . . ? C1123 H1126a 3.42(6) . . ? C1123 H1126e 3.90(5) . . ? C1123 H1214a 3.28(7) . 1_545 ? C1123 H1233a 3.52(6) . . ? C1123 H2223e 3.13(6) . 1_545 ? C1124 C1126 2.54(8) . . ? C1124 H15 3.98(5) . 2_647 ? C1124 H1121 3.33(5) . . ? C1124 H1122a 2.59(6) . . ? C1124 H1122e 3.28(5) . . ? C1124 H1123a 2.04(5) . . ? C1124 H1123e 2.04(5) . . ? C1124 H1125a 1.94(5) . . ? C1124 H1125e 1.96(5) . . ? C1124 H1126a 2.80(6) . . ? C1124 H1126e 3.37(5) . . ? C1124 H1211 3.89(5) . 2_647 ? C1124 H1213a 3.91(6) . 2_647 ? C1124 H1214a 3.69(6) . 1_545 ? C1124 H1232a 3.41(5) . 2_647 ? C1124 H1233a 3.54(6) . . ? C1125 H1121 2.83(5) . . ? C1125 H1122a 3.06(6) . . ? C1125 H1122e 3.70(5) . . ? C1125 H1123a 2.64(5) . . ? C1125 H1123e 3.23(5) . . ? C1125 H1124a 1.93(6) . . ? C1125 H1124e 1.89(6) . . ? C1125 H1126a 2.22(7) . . ? C1125 H1126e 2.21(6) . . ? C1125 H1232a 3.20(6) . 2_647 ? C1125 H2124e 3.90(5) . 2_747 ? C1125 H2125a 3.67(5) . 2_747 ? C1126 H16 3.86(7) . . ? C1126 H1112a 3.04(6) . . ? C1126 H1116a 3.02(5) . . ? C1126 H1116e 3.99(5) . . ? C1126 H1121 2.13(5) . . ? C1126 H1122a 2.54(5) . . ? C1126 H1122e 3.27(5) . . ? C1126 H1123a 3.35(6) . . ? C1126 H1123e 3.85(5) . . ? C1126 H1124a 2.64(5) . . ? C1126 H1124e 3.32(6) . . ? C1126 H1125a 2.10(7) . . ? C1126 H1125e 2.11(6) . . ? C1126 H2124e 3.48(5) . 2_747 ? C1126 H2125a 3.73(5) . 2_747 ? C1126 H2125e 3.75(5) . 2_747 ? C1131 C1133 2.48(9) . . ? C1131 C1134 2.80(8) . . ? C1131 C1135 2.41(7) . . ? C1131 C1222 3.92(7) . . ? C1131 H1111 2.89(4) . . ? C1131 H1116e 3.48(5) . . ? C1131 H1121 3.11(5) . . ? C1131 H1122a 3.74(5) . . ? C1131 H1122e 2.87(5) . . ? C1131 H1132a 2.08(5) . . ? C1131 H1132e 2.11(6) . . ? C1131 H1133a 2.60(5) . . ? C1131 H1133e 3.31(5) . . ? C1131 H1134a 3.10(5) . . ? C1131 H1134e 3.69(4) . . ? C1131 H1135a 2.53(4) . . ? C1131 H1135e 3.21(5) . . ? C1131 H1136a 1.99(6) . . ? C1131 H1136e 1.97(7) . . ? C1131 H1222a 3.13(6) . . ? C1131 H1222e 3.99(5) . . ? C1132 C1134 2.29(9) . . ? C1132 C1135 2.76(8) . . ? C1132 C1136 2.36(10) . . ? C1132 H1111 2.76(5) . . ? C1132 H1116e 3.96(6) . . ? C1132 H1131 2.09(5) . . ? C1132 H1133a 2.13(5) . . ? C1132 H1133e 2.14(5) . . ? C1132 H1134a 2.44(6) . . ? C1132 H1134e 3.18(5) . . ? C1132 H1135a 3.04(5) . . ? C1132 H1135e 3.58(6) . . ? C1132 H1136a 2.45(6) . . ? C1132 H1136e 3.17(6) . . ? C1132 H1222a 3.31(5) . . ? C1132 H2112a 3.87(5) . . ? C1132 H2113e 3.34(5) . . ? C1133 C1135 2.10(11) . . ? C1133 C1136 2.77(11) . . ? C1133 H1131 2.63(8) . . ? C1133 H1132a 2.23(7) . . ? C1133 H1132e 2.19(8) . . ? C1133 H1134a 1.76(8) . . ? C1133 H1134e 1.67(8) . . ? C1133 H1135a 2.24(9) . . ? C1133 H1135e 2.85(9) . . ? C1133 H1136a 3.03(8) . . ? C1133 H1136e 3.56(9) . . ? C1133 H1222a 3.37(8) . . ? C1133 H1223e 3.85(8) . . ? C1133 H1224a 3.36(8) . . ? C1133 H2113e 3.84(7) . . ? C1133 H2134e 3.87(8) . 2_746 ? C1133 H2225e 3.75(8) . 2_646 ? C1133 H2233e 3.58(9) . . ? C1134 C1136 2.44(10) . . ? C1134 C2134 3.94(9) . 2_746 ? C1134 H1131 3.12(7) . . ? C1134 H1132a 2.52(7) . . ? C1134 H1132e 3.09(8) . . ? C1134 H1133a 1.78(8) . . ? C1134 H1133e 1.71(9) . . ? C1134 H1135a 2.03(8) . . ? C1134 H1135e 1.96(9) . . ? C1134 H1136a 2.53(7) . . ? C1134 H1136e 3.22(8) . . ? C1134 H1224e 3.81(8) . 2_646 ? C1134 H1225a 3.89(7) . 2_646 ? C1134 H1225e 3.92(7) . 2_646 ? C1134 H2113e 3.85(7) . . ? C1134 H2134a 3.35(7) . 2_746 ? C1134 H2134e 3.63(8) . 2_746 ? C1134 H2214a 3.41(8) . 1_545 ? C1134 H2215e 3.62(8) . 1_545 ? C1134 H2225a 3.97(7) . 2_646 ? C1135 H1131 2.54(6) . . ? C1135 H1132a 3.16(6) . . ? C1135 H1132e 3.63(6) . . ? C1135 H1133a 2.25(7) . . ? C1135 H1133e 2.98(6) . . ? C1135 H1134a 1.98(6) . . ? C1135 H1134e 1.97(6) . . ? C1135 H1136a 2.10(5) . . ? C1135 H1136e 2.08(5) . . ? C1135 H1224e 3.37(6) . 2_646 ? C1135 H1225e 3.97(5) . 2_646 ? C1135 H2216a 3.69(6) . 1_545 ? C1135 H2224a 3.44(6) . 1_545 ? C1135 H2226a 3.69(7) . 1_545 ? C1135 H2233a 3.82(5) . 2_646 ? C1136 H1111 3.29(5) . . ? C1136 H1116e 3.06(5) . . ? C1136 H1121 3.02(5) . . ? C1136 H1122e 3.20(6) . . ? C1136 H1131 2.01(6) . . ? C1136 H1132a 2.60(7) . . ? C1136 H1132e 3.27(7) . . ? C1136 H1133a 3.04(6) . . ? C1136 H1133e 3.64(7) . . ? C1136 H1134a 2.60(6) . . ? C1136 H1134e 3.31(6) . . ? C1136 H1135a 2.11(5) . . ? C1136 H1135e 2.09(5) . . ? C1136 H2212a 3.87(6) . 1_545 ? C1136 H2214a 3.94(5) . 1_545 ? C1136 H2222a 3.49(7) . 1_545 ? C1136 H2223e 3.99(7) . 1_545 ? C1136 H2224a 3.51(6) . 1_545 ? As12 C1212 2.82(7) . . ? As12 C1213 4.22(8) . . ? As12 C1216 2.93(7) . . ? As12 C1222 2.84(5) . . ? As12 C1226 2.86(5) . . ? As12 C1232 2.96(7) . . ? As12 C1236 2.76(10) . . ? As12 H16 4.227(13) . . ? As12 H1122a 4.06(4) . . ? As12 H1212a 2.98(4) . . ? As12 H1212e 2.97(3) . . ? As12 H1216a 3.08(3) . . ? As12 H1216e 3.15(3) . . ? As12 H1221 2.552(11) . . ? As12 H1222a 2.921(17) . . ? As12 H1222e 2.85(2) . . ? As12 H1226a 2.929(15) . . ? As12 H1226e 2.98(3) . . ? As12 H1231 2.15(4) . . ? As12 H1232a 3.241(9) . . ? As12 H1232e 2.95(2) . . ? As12 H1236a 3.041(8) . . ? As12 H1236e 2.76(2) . . ? C1211 C1213 2.55(9) . . ? C1211 C1214 2.97(10) . . ? C1211 C1215 2.62(10) . . ? C1211 C1221 3.09(6) . . ? C1211 C1226 3.45(6) . . ? C1211 C1231 2.97(9) . . ? C1211 C1232 3.43(9) . . ? C1211 C1236 3.47(12) . . ? C1211 H1212a 2.00(6) . . ? C1211 H1212e 1.98(5) . . ? C1211 H1213a 3.04(5) . . ? C1211 H1213e 3.30(6) . . ? C1211 H1214a 3.61(7) . . ? C1211 H1214e 3.65(6) . . ? C1211 H1215a 3.17(6) . . ? C1211 H1215e 3.34(6) . . ? C1211 H1216a 1.98(5) . . ? C1211 H1216e 1.97(5) . . ? C1211 H1221 3.21(5) . . ? C1211 H1226a 3.70(5) . . ? C1211 H1226e 3.00(5) . . ? C1211 H1231 3.54(7) . . ? C1211 H1232a 3.17(6) . . ? C1211 H1232e 3.51(6) . . ? C1211 H1236a 3.35(6) . . ? C1211 H1236e 3.83(6) . . ? C1212 C1214 2.59(10) . . ? C1212 C1215 2.95(9) . . ? C1212 C1216 2.42(6) . . ? C1212 C1226 3.95(6) . . ? C1212 H22 3.37(5) . . ? C1212 H1211 2.04(6) . . ? C1212 H1213a 2.04(6) . . ? C1212 H1213e 2.05(7) . . ? C1212 H1214a 3.11(7) . . ? C1212 H1214e 3.27(6) . . ? C1212 H1215a 3.58(5) . . ? C1212 H1215e 3.64(6) . . ? C1212 H1216a 2.86(5) . . ? C1212 H1216e 3.15(5) . . ? C1212 H1226a 3.95(5) . . ? C1212 H1226e 3.37(5) . . ? C1212 H1233e 3.89(5) . 2_657 ? C1212 H2223a 3.80(6) . . ? C1213 C1215 2.54(8) . . ? C1213 C1216 2.85(7) . . ? C1213 C1233 3.71(9) . 2_657 ? C1213 H22 3.53(6) . . ? C1213 H23 3.45(6) . . ? C1213 H1124a 3.78(6) . 2_657 ? C1213 H1211 2.94(7) . . ? C1213 H1212a 1.93(6) . . ? C1213 H1212e 1.92(7) . . ? C1213 H1214a 2.06(7) . . ? C1213 H1214e 2.05(6) . . ? C1213 H1215a 3.06(6) . . ? C1213 H1215e 3.18(5) . . ? C1213 H1216a 3.35(5) . . ? C1213 H1216e 3.57(6) . . ? C1213 H1233a 3.98(5) . 2_657 ? C1213 H1233e 2.81(5) . 2_657 ? C1213 H2223a 3.71(6) . . ? C1214 C1216 2.44(9) . . ? C1214 H15 3.19(7) . 2_657 ? C1214 H16 3.42(6) . 2_657 ? C1214 H1123a 3.61(7) . 1_565 ? C1214 H1124e 3.69(7) . 1_565 ? C1214 H1211 3.29(8) . . ? C1214 H1212a 2.99(7) . . ? C1214 H1212e 3.26(7) . . ? C1214 H1213a 2.05(6) . . ? C1214 H1213e 2.06(7) . . ? C1214 H1215a 1.83(7) . . ? C1214 H1215e 1.84(6) . . ? C1214 H1216a 2.87(6) . . ? C1214 H1216e 3.04(7) . . ? C1214 H1232e 3.94(6) . 2_657 ? C1214 H1233e 3.63(6) . 2_657 ? C1214 H2223a 3.65(6) . . ? C1215 C2125 3.93(9) . 1_455 ? C1215 H15 3.21(8) . 2_657 ? C1215 H16 3.79(7) . 2_657 ? C1215 H1211 2.84(8) . . ? C1215 H1212a 3.39(7) . . ? C1215 H1212e 3.70(7) . . ? C1215 H1213a 3.04(6) . . ? C1215 H1213e 3.20(6) . . ? C1215 H1214a 1.91(8) . . ? C1215 H1214e 1.87(7) . . ? C1215 H1216a 1.95(7) . . ? C1215 H1216e 1.91(8) . . ? C1215 H2125a 3.42(7) . 1_455 ? C1215 H2125e 3.80(7) . 1_455 ? C1215 H2126e 3.41(6) . 1_455 ? C1215 H2135a 3.88(6) . 1_455 ? C1215 H2136e 3.60(6) . 1_455 ? C1216 C1221 3.44(7) . . ? C1216 C1226 3.76(7) . . ? C1216 C1231 3.61(9) . . ? C1216 C1236 3.66(13) . . ? C1216 C2136 3.91(5) . 1_455 ? C1216 H1125e 3.97(5) . 2_657 ? C1216 H1211 1.77(5) . . ? C1216 H1212a 2.85(4) . . ? C1216 H1212e 3.16(4) . . ? C1216 H1213a 3.43(4) . . ? C1216 H1213e 3.59(5) . . ? C1216 H1214a 3.01(6) . . ? C1216 H1214e 3.12(6) . . ? C1216 H1215a 2.09(5) . . ? C1216 H1215e 2.10(6) . . ? C1216 H1221 3.15(5) . . ? C1216 H1226e 3.13(4) . . ? C1216 H1232a 3.66(6) . . ? C1216 H1236a 3.28(6) . . ? C1216 H2121 3.90(5) . 1_455 ? C1216 H2125a 3.53(5) . 1_455 ? C1216 H2126e 3.70(5) . 1_455 ? C1216 H2135e 3.69(4) . 1_455 ? C1216 H2136e 3.08(4) . 1_455 ? C1221 C1223 2.57(6) . . ? C1221 C1224 2.85(5) . . ? C1221 C1225 2.50(6) . . ? C1221 C1231 3.09(7) . . ? C1221 C1236 3.37(10) . . ? C1221 H1211 3.59(3) . . ? C1221 H1212a 3.84(4) . . ? C1221 H1216a 3.00(5) . . ? C1221 H1216e 3.69(4) . . ? C1221 H1222a 1.98(5) . . ? C1221 H1222e 1.97(5) . . ? C1221 H1223a 2.77(3) . . ? C1221 H1223e 3.36(4) . . ? C1221 H1224a 3.15(3) . . ? C1221 H1224e 3.74(3) . . ? C1221 H1225a 2.77(4) . . ? C1221 H1225e 3.33(4) . . ? C1221 H1226a 1.97(4) . . ? C1221 H1226e 2.00(5) . . ? C1221 H1231 3.29(4) . . ? C1221 H1236a 3.59(3) . . ? C1221 H1236e 2.78(4) . . ? C1221 H2116e 3.90(3) . 1_455 ? C1221 H2135e 3.88(5) . 1_455 ? C1221 H2136a 3.98(4) . 1_455 ? C1221 H2136e 3.86(4) . 1_455 ? C1222 C1224 2.51(7) . . ? C1222 C1225 2.94(8) . . ? C1222 C1226 2.44(9) . . ? C1222 C1231 3.45(7) . . ? C1222 C1236 3.76(10) . . ? C1222 H1131 3.09(6) . . ? C1222 H1132e 3.87(4) . . ? C1222 H1133a 3.41(5) . . ? C1222 H1221 2.10(6) . . ? C1222 H1223a 2.22(4) . . ? C1222 H1223e 2.19(5) . . ? C1222 H1224a 2.66(5) . . ? C1222 H1224e 3.39(5) . . ? C1222 H1225a 3.38(6) . . ? C1222 H1225e 3.81(6) . . ? C1222 H1226a 2.60(6) . . ? C1222 H1226e 3.28(6) . . ? C1222 H1231 3.31(5) . . ? C1222 H1236e 2.89(5) . . ? C1223 C1225 2.52(9) . . ? C1223 C1226 2.99(8) . . ? C1223 C2216 3.75(6) . 2_646 ? C1223 C2226 3.97(7) . 2_646 ? C1223 H1133a 3.41(6) . . ? C1223 H1221 2.73(6) . . ? C1223 H1222a 2.18(5) . . ? C1223 H1222e 2.17(5) . . ? C1223 H1224a 2.05(6) . . ? C1223 H1224e 2.07(6) . . ? C1223 H1225a 2.80(7) . . ? C1223 H1225e 3.38(7) . . ? C1223 H1226a 3.30(6) . . ? C1223 H1226e 3.85(6) . . ? C1223 H1236e 3.95(5) . . ? C1223 H2115a 3.87(5) . 1_455 ? C1223 H2115e 4.00(5) . 1_455 ? C1223 H2215e 3.96(6) . 2_646 ? C1223 H2216a 3.31(5) . 2_646 ? C1223 H2216e 3.32(5) . 2_646 ? C1223 H2226a 3.38(5) . 2_646 ? C1223 H2226e 3.63(6) . 2_646 ? C1223 H2231 3.56(6) . 2_646 ? C1224 C1226 2.46(6) . . ? C1224 C2226 3.87(7) . 2_646 ? C1224 H1133a 3.46(5) . . ? C1224 H1134e 3.98(5) . 2_656 ? C1224 H1135e 3.48(4) . 2_656 ? C1224 H1221 3.11(4) . . ? C1224 H1222a 2.65(4) . . ? C1224 H1222e 3.30(5) . . ? C1224 H1223a 2.04(4) . . ? C1224 H1223e 2.02(6) . . ? C1224 H1225a 2.01(5) . . ? C1224 H1225e 2.02(6) . . ? C1224 H1226a 2.67(4) . . ? C1224 H1226e 3.27(5) . . ? C1224 H2215e 3.97(4) . 2_646 ? C1224 H2216a 3.39(4) . 2_646 ? C1224 H2225e 3.66(4) . 2_646 ? C1224 H2226a 3.12(4) . 2_646 ? C1224 H2226e 3.81(5) . 2_646 ? C1224 H2232e 3.69(5) . . ? C1224 H2233e 3.63(4) . . ? C1225 C2135 3.97(7) . 1_455 ? C1225 H1134e 3.47(5) . 2_656 ? C1225 H1135e 3.81(4) . 2_656 ? C1225 H1221 2.62(4) . . ? C1225 H1222a 3.14(5) . . ? C1225 H1222e 3.76(5) . . ? C1225 H1223a 2.72(5) . . ? C1225 H1223e 3.27(6) . . ? C1225 H1224a 1.90(5) . . ? C1225 H1224e 1.92(5) . . ? C1225 H1226a 2.07(4) . . ? C1225 H1226e 2.11(4) . . ? C1225 H2134a 3.85(5) . 1_455 ? C1225 H2135e 3.21(5) . 1_455 ? C1225 H2136a 3.87(4) . 1_455 ? C1225 H2221 3.95(5) . . ? C1225 H2225a 3.34(6) . . ? C1225 H2232e 3.32(4) . . ? C1226 H1212a 3.43(4) . . ? C1226 H1216a 3.14(5) . . ? C1226 H1221 1.95(5) . . ? C1226 H1222a 2.53(6) . . ? C1226 H1222e 3.19(6) . . ? C1226 H1223a 3.30(5) . . ? C1226 H1223e 3.79(5) . . ? C1226 H1224a 2.60(5) . . ? C1226 H1224e 3.28(4) . . ? C1226 H1225a 2.12(4) . . ? C1226 H1225e 2.11(5) . . ? C1226 H2135e 3.38(5) . 1_455 ? C1226 H2221 3.80(5) . . ? C1226 H2223a 3.86(6) . . ? C1226 H2225a 3.91(6) . . ? C1226 H2232e 3.80(5) . . ? C1231 C1233 2.61(11) . . ? C1231 C1234 2.93(9) . . ? C1231 C1235 2.54(8) . . ? C1231 H1122a 3.41(6) . . ? C1231 H1211 2.56(7) . . ? C1231 H1216a 3.94(7) . . ? C1231 H1216e 3.30(7) . . ? C1231 H1221 3.23(6) . . ? C1231 H1222a 3.82(6) . . ? C1231 H1222e 2.94(6) . . ? C1231 H1232a 2.10(6) . . ? C1231 H1232e 2.03(5) . . ? C1231 H1233a 2.69(7) . . ? C1231 H1233e 3.36(6) . . ? C1231 H1234a 3.19(6) . . ? C1231 H1234e 3.81(6) . . ? C1231 H1235a 2.93(6) . . ? C1231 H1235e 3.24(6) . . ? C1231 H1236a 1.68(6) . . ? C1231 H1236e 1.59(5) . . ? C1232 C1234 2.35(9) . . ? C1232 C1235 2.88(7) . . ? C1232 C1236 2.05(10) . . ? C1232 H16 3.51(5) . . ? C1232 H1122a 3.57(7) . . ? C1232 H1124e 3.47(6) . 2_657 ? C1232 H1125e 3.54(7) . 2_657 ? C1232 H1211 2.67(7) . . ? C1232 H1213a 3.62(6) . 2_647 ? C1232 H1214e 3.73(6) . 2_647 ? C1232 H1216e 3.70(7) . . ? C1232 H1231 1.82(6) . . ? C1232 H1233a 2.13(7) . . ? C1232 H1233e 2.12(7) . . ? C1232 H1234a 2.48(6) . . ? C1232 H1234e 3.21(6) . . ? C1232 H1235a 3.38(6) . . ? C1232 H1235e 3.62(5) . . ? C1232 H1236a 2.30(6) . . ? C1232 H1236e 2.91(6) . . ? C1233 C1235 2.27(8) . . ? C1233 C1236 2.69(13) . . ? C1233 H23 3.43(8) . 2_647 ? C1233 H1122a 3.44(8) . . ? C1233 H1123e 3.68(9) . . ? C1233 H1124a 3.28(8) . . ? C1233 H1213a 2.82(7) . 2_647 ? C1233 H1213e 3.83(7) . 2_647 ? C1233 H1214e 3.88(7) . 2_647 ? C1233 H1231 2.52(8) . . ? C1233 H1232a 2.38(10) . . ? C1233 H1232e 2.23(8) . . ? C1233 H1234a 1.95(8) . . ? C1233 H1234e 1.76(8) . . ? C1233 H1235a 2.53(7) . . ? C1233 H1235e 3.11(7) . . ? C1233 H1236a 3.04(9) . . ? C1233 H1236e 3.38(8) . . ? C1234 C1236 2.47(12) . . ? C1234 H23 2.99(6) . 2_647 ? C1234 H24 3.52(7) . 2_647 ? C1234 H1113e 3.80(6) . 1_455 ? C1234 H1114e 3.47(7) . 1_455 ? C1234 H1213a 3.65(6) . 2_647 ? C1234 H1231 3.10(7) . . ? C1234 H1232a 2.63(7) . . ? C1234 H1232e 3.14(6) . . ? C1234 H1233a 1.75(7) . . ? C1234 H1233e 1.70(6) . . ? C1234 H1235a 2.15(6) . . ? C1234 H1235e 2.13(6) . . ? C1234 H1236a 2.60(7) . . ? C1234 H1236e 3.21(7) . . ? C1234 H2123a 3.64(7) . 1_455 ? C1235 C2116 3.88(7) . 1_455 ? C1235 H1113a 3.57(5) . 1_455 ? C1235 H1114e 3.25(5) . 1_455 ? C1235 H1222e 3.96(5) . . ? C1235 H1231 2.69(5) . . ? C1235 H1232a 3.32(5) . . ? C1235 H1232e 3.70(5) . . ? C1235 H1233a 2.32(5) . . ? C1235 H1233e 3.10(5) . . ? C1235 H1234a 2.10(5) . . ? C1235 H1234e 2.07(5) . . ? C1235 H1236a 2.07(6) . . ? C1235 H1236e 2.04(6) . . ? C1235 H2115e 3.57(5) . 1_455 ? C1235 H2116a 3.25(5) . 1_455 ? C1235 H2116e 3.92(6) . 1_455 ? C1235 H2123a 3.89(6) . 1_455 ? C1236 C2116 3.91(9) . 1_455 ? C1236 H1211 3.03(10) . . ? C1236 H1216a 3.92(11) . . ? C1236 H1216e 3.11(11) . . ? C1236 H1221 3.17(10) . . ? C1236 H1222e 3.17(9) . . ? C1236 H1231 1.75(9) . . ? C1236 H1232a 2.36(8) . . ? C1236 H1232e 2.86(8) . . ? C1236 H1233a 2.86(10) . . ? C1236 H1233e 3.45(9) . . ? C1236 H1234a 2.61(9) . . ? C1236 H1234e 3.35(10) . . ? C1236 H1235a 2.37(11) . . ? C1236 H1235e 2.23(10) . . ? C1236 H2115e 3.99(8) . 1_455 ? C1236 H2116a 3.49(8) . 1_455 ? C1236 H2116e 3.50(8) . 1_455 ? C1236 H2121 3.74(10) . 1_455 ? C1236 H2123a 3.97(10) . 1_455 ? As21 C2112 2.83(7) . . ? As21 C2116 3.04(7) . . ? As21 C2122 2.81(5) . . ? As21 C2123 4.23(5) . . ? As21 C2125 4.28(5) . . ? As21 C2126 2.83(4) . . ? As21 C2132 2.87(5) . . ? As21 C2133 4.29(6) . . ? As21 C2136 2.99(4) . . ? As21 As22 4.52(3) . . ? As21 H26 4.22(4) . . ? As21 H2111 2.52(3) . . ? As21 H2112a 2.93(4) . . ? As21 H2112e 2.84(2) . . ? As21 H2116a 3.18(4) . . ? As21 H2116e 3.08(3) . . ? As21 H2121 2.401(12) . . ? As21 H2122a 2.938(10) . . ? As21 H2122e 2.89(3) . . ? As21 H2126a 2.93(2) . . ? As21 H2126e 2.996(18) . . ? As21 H2131 2.42(3) . . ? As21 H2132a 3.087(11) . . ? As21 H2132e 2.91(2) . . ? As21 H2136a 3.193(4) . . ? As21 H2136e 3.093(8) . . ? As21 H2212e 4.29(4) . . ? As21 H2236a 3.889(4) . . ? C2111 C2113 2.47(8) . . ? C2111 C2114 2.88(9) . . ? C2111 C2115 2.47(8) . . ? C2111 C2121 3.15(6) . . ? C2111 C2122 3.61(6) . . ? C2111 C2131 3.21(8) . . ? C2111 C2132 3.57(8) . . ? C2111 C2136 3.55(7) . . ? C2111 H2112a 1.95(5) . . ? C2111 H2112e 1.97(4) . . ? C2111 H2113a 2.71(5) . . ? C2111 H2113e 3.22(5) . . ? C2111 H2114a 3.11(6) . . ? C2111 H2114e 3.67(6) . . ? C2111 H2115a 2.65(5) . . ? C2111 H2115e 3.22(5) . . ? C2111 H2116a 1.98(5) . . ? C2111 H2116e 2.00(4) . . ? C2111 H2121 3.15(4) . . ? C2111 H2122e 3.15(4) . . ? C2111 H2132a 3.23(5) . . ? C2111 H2132e 3.78(6) . . ? C2111 H2136a 3.21(5) . . ? C2111 H2136e 3.70(5) . . ? C2111 H2215a 3.48(4) . 2_746 ? C2111 H2236a 3.81(4) . . ? C2112 C2114 2.59(9) . . ? C2112 C2115 2.97(8) . . ? C2112 C2116 2.50(6) . . ? C2112 C2121 3.99(6) . . ? C2112 C2122 3.97(6) . . ? C2112 H1132a 3.66(5) . . ? C2112 H2111 1.96(5) . . ? C2112 H2113a 2.12(5) . . ? C2112 H2113e 2.09(6) . . ? C2112 H2114a 2.74(6) . . ? C2112 H2114e 3.35(6) . . ? C2112 H2115a 3.23(5) . . ? C2112 H2115e 3.78(5) . . ? C2112 H2116a 2.77(4) . . ? C2112 H2116e 3.29(4) . . ? C2112 H2122e 3.34(4) . . ? C2112 H2232a 3.90(5) . . ? C2112 H2234a 3.95(4) . . ? C2112 H2236a 3.51(5) . . ? C2113 C2115 2.41(7) . . ? C2113 C2116 2.88(6) . . ? C2113 H1132a 3.41(5) . . ? C2113 H2111 2.57(6) . . ? C2113 H2112a 2.20(5) . . ? C2113 H2112e 2.21(6) . . ? C2113 H2114a 1.93(5) . . ? C2113 H2114e 1.90(6) . . ? C2113 H2115a 2.61(5) . . ? C2113 H2115e 3.19(5) . . ? C2113 H2116a 3.28(4) . . ? C2113 H2116e 3.75(5) . . ? C2113 H2133e 3.24(4) . 2_746 ? C2113 H2214a 3.74(6) . 1_545 ? C2113 H2215a 3.68(5) . 2_746 ? C2113 H2234a 3.81(5) . . ? C2114 C2116 2.50(8) . . ? C2114 H1115a 3.54(6) . . ? C2114 H2111 3.01(7) . . ? C2114 H2112a 2.93(6) . . ? C2114 H2112e 3.41(7) . . ? C2114 H2113a 1.98(6) . . ? C2114 H2113e 1.96(5) . . ? C2114 H2115a 2.06(6) . . ? C2114 H2115e 2.02(5) . . ? C2114 H2116a 2.78(6) . . ? C2114 H2116e 3.37(6) . . ? C2114 H2133e 3.99(5) . 2_746 ? C2114 H2213e 3.65(7) . 1_545 ? C2114 H2214a 3.59(6) . 1_545 ? C2114 H2214e 3.63(7) . 1_545 ? C2114 H2235a 3.64(6) . 2_746 ? C2114 H2235e 3.81(7) . 2_746 ? C2114 H2236e 3.60(6) . 2_746 ? C2115 H1223a 3.55(5) . 1_655 ? C2115 H1235e 3.66(5) . 1_655 ? C2115 H1236e 3.79(5) . 1_655 ? C2115 H2111 2.41(7) . . ? C2115 H2112a 3.43(5) . . ? C2115 H2112e 3.78(6) . . ? C2115 H2113a 2.64(5) . . ? C2115 H2113e 3.22(5) . . ? C2115 H2114a 2.00(6) . . ? C2115 H2114e 1.98(6) . . ? C2115 H2116a 2.10(5) . . ? C2115 H2116e 2.11(6) . . ? C2115 H2215a 3.36(6) . 2_746 ? C2115 H2216e 3.49(5) . 2_746 ? C2115 H2235a 3.49(6) . 2_746 ? C2115 H2236e 3.69(5) . 2_746 ? C2116 C2121 3.37(7) . . ? C2116 C2122 3.82(7) . . ? C2116 C2131 3.90(8) . . ? C2116 C2136 3.68(9) . . ? C2116 H1113a 3.83(5) . . ? C2116 H1221 3.96(4) . 1_655 ? C2116 H1223a 3.97(4) . 1_655 ? C2116 H1235e 3.19(5) . 1_655 ? C2116 H1236a 3.72(4) . 1_655 ? C2116 H1236e 3.45(4) . 1_655 ? C2116 H2111 1.80(5) . . ? C2116 H2112a 2.82(4) . . ? C2116 H2112e 3.30(4) . . ? C2116 H2113a 3.23(4) . . ? C2116 H2113e 3.70(4) . . ? C2116 H2114a 2.64(6) . . ? C2116 H2114e 3.27(6) . . ? C2116 H2115a 2.02(5) . . ? C2116 H2115e 2.00(6) . . ? C2116 H2121 2.98(5) . . ? C2116 H2122e 3.29(5) . . ? C2116 H2136a 3.25(6) . . ? C2116 H2136e 3.58(6) . . ? C2116 H2215a 3.76(4) . 2_746 ? C2121 C2123 2.51(7) . . ? C2121 C2124 2.93(5) . . ? C2121 C2125 2.49(6) . . ? C2121 C2131 3.04(6) . . ? C2121 C2136 3.52(6) . . ? C2121 H1216e 3.90(3) . 1_655 ? C2121 H1236a 3.98(4) . 1_655 ? C2121 H2111 3.83(4) . . ? C2121 H2112a 3.75(4) . . ? C2121 H2116a 3.03(5) . . ? C2121 H2116e 3.29(4) . . ? C2121 H2122a 2.06(4) . . ? C2121 H2122e 2.03(5) . . ? C2121 H2123a 2.67(4) . . ? C2121 H2123e 3.32(4) . . ? C2121 H2124a 3.22(4) . . ? C2121 H2124e 3.82(3) . . ? C2121 H2125a 2.73(3) . . ? C2121 H2125e 3.31(4) . . ? C2121 H2126a 1.97(5) . . ? C2121 H2126e 1.98(5) . . ? C2121 H2131 3.11(5) . . ? C2121 H2136a 3.94(4) . . ? C2121 H2136e 3.08(4) . . ? C2122 C2124 2.53(6) . . ? C2122 C2125 2.89(7) . . ? C2122 C2126 2.42(8) . . ? C2122 H12 3.38(4) . . ? C2122 H1112e 3.62(5) . . ? C2122 H1113a 3.29(6) . . ? C2122 H1113e 3.71(6) . . ? C2122 H2112a 3.40(4) . . ? C2122 H2116a 3.21(5) . . ? C2122 H2121 2.09(4) . . ? C2122 H2123a 2.06(4) . . ? C2122 H2123e 2.08(4) . . ? C2122 H2124a 2.73(5) . . ? C2122 H2124e 3.38(4) . . ? C2122 H2125a 3.22(4) . . ? C2122 H2125e 3.78(5) . . ? C2122 H2126a 2.70(6) . . ? C2122 H2126e 3.29(5) . . ? C2123 C2125 2.40(9) . . ? C2123 C2126 2.84(8) . . ? C2123 H12 3.60(5) . . ? C2123 H13 3.54(5) . . ? C2123 H24 3.14(6) . 2_747 ? C2123 H25 3.82(5) . 2_747 ? C2123 H1112e 3.94(6) . . ? C2123 H1113a 3.43(7) . . ? C2123 H1113e 3.21(7) . . ? C2123 H1234a 3.77(6) . 1_655 ? C2123 H2121 2.73(5) . . ? C2123 H2122a 2.09(5) . . ? C2123 H2122e 2.06(5) . . ? C2123 H2124a 2.10(7) . . ? C2123 H2124e 2.10(6) . . ? C2123 H2125a 2.59(6) . . ? C2123 H2125e 3.27(7) . . ? C2123 H2126a 3.27(7) . . ? C2123 H2126e 3.73(6) . . ? C2124 C2126 2.48(6) . . ? C2124 H13 3.37(4) . . ? C2124 H24 3.80(6) . 2_747 ? C2124 H25 3.84(5) . 2_747 ? C2124 H1112a 3.92(5) . 2_757 ? C2124 H1114a 3.59(4) . 2_757 ? C2124 H1125e 3.99(4) . 2_757 ? C2124 H1126e 3.47(4) . 2_757 ? C2124 H2121 3.22(4) . . ? C2124 H2122a 2.73(4) . . ? C2124 H2122e 3.32(5) . . ? C2124 H2123a 1.99(6) . . ? C2124 H2123e 2.00(6) . . ? C2124 H2125a 1.96(4) . . ? C2124 H2125e 2.00(6) . . ? C2124 H2126a 2.74(5) . . ? C2124 H2126e 3.31(5) . . ? C2125 H1125e 3.59(5) . 2_757 ? C2125 H1126e 3.54(5) . 2_757 ? C2125 H1215a 3.21(5) . 1_655 ? C2125 H1216e 3.47(5) . 1_655 ? C2125 H2121 2.59(5) . . ? C2125 H2122a 3.24(5) . . ? C2125 H2122e 3.71(6) . . ? C2125 H2123a 2.50(7) . . ? C2125 H2123e 3.17(6) . . ? C2125 H2124a 1.98(5) . . ? C2125 H2124e 1.96(5) . . ? C2125 H2126a 2.11(5) . . ? C2125 H2126e 2.10(5) . . ? C2126 C2131 3.29(5) . . ? C2126 C2136 3.77(6) . . ? C2126 H26 3.68(5) . . ? C2126 H1215a 3.66(4) . 1_655 ? C2126 H1216e 3.63(4) . 1_655 ? C2126 H2121 1.79(6) . . ? C2126 H2122a 2.67(5) . . ? C2126 H2122e 3.19(6) . . ? C2126 H2123a 3.07(6) . . ? C2126 H2123e 3.68(5) . . ? C2126 H2124a 2.67(4) . . ? C2126 H2124e 3.30(4) . . ? C2126 H2125a 2.06(4) . . ? C2126 H2125e 2.11(4) . . ? C2126 H2131 2.93(4) . . ? C2126 H2136e 3.25(4) . . ? C2131 C2133 2.56(7) . . ? C2131 C2134 2.90(6) . . ? C2131 C2135 2.50(6) . . ? C2131 H2111 3.10(5) . . ? C2131 H2116e 3.44(5) . . ? C2131 H2121 3.14(5) . . ? C2131 H2126a 3.45(4) . . ? C2131 H2126e 2.82(4) . . ? C2131 H2132a 2.07(4) . . ? C2131 H2132e 2.10(4) . . ? C2131 H2133a 2.76(5) . . ? C2131 H2133e 3.42(4) . . ? C2131 H2134a 3.23(4) . . ? C2131 H2134e 3.80(4) . . ? C2131 H2135a 2.67(4) . . ? C2131 H2135e 3.33(4) . . ? C2131 H2136a 2.01(5) . . ? C2131 H2136e 2.03(4) . . ? C2131 H2212e 3.74(5) . . ? C2132 C2134 2.42(6) . . ? C2132 C2135 2.94(5) . . ? C2132 C2136 2.40(6) . . ? C2132 C2236 3.81(6) . . ? C2132 H2111 3.11(6) . . ? C2132 H2131 2.22(4) . . ? C2132 H2133a 2.17(6) . . ? C2132 H2133e 2.14(5) . . ? C2132 H2134a 2.56(4) . . ? C2132 H2134e 3.30(5) . . ? C2132 H2135a 3.28(4) . . ? C2132 H2135e 3.77(4) . . ? C2132 H2136a 2.42(5) . . ? C2132 H2136e 3.23(4) . . ? C2132 H2211 3.49(5) . . ? C2132 H2212e 3.55(5) . . ? C2132 H2214e 3.77(5) . 2_746 ? C2132 H2215a 3.83(6) . 2_746 ? C2132 H2215e 3.69(5) . 2_746 ? C2132 H2236a 3.29(4) . . ? C2132 H2236e 3.40(4) . . ? C2133 C2135 2.57(6) . . ? C2133 C2136 2.91(7) . . ? C2133 C2234 3.90(9) . 2_756 ? C2133 H2113a 3.54(4) . 2_756 ? C2133 H2131 2.79(4) . . ? C2133 H2132a 2.03(6) . . ? C2133 H2132e 2.07(5) . . ? C2133 H2134a 1.97(5) . . ? C2133 H2134e 2.01(4) . . ? C2133 H2135a 2.75(4) . . ? C2133 H2135e 3.35(4) . . ? C2133 H2136a 3.05(6) . . ? C2133 H2136e 3.77(5) . . ? C2133 H2211 3.72(4) . . ? C2133 H2212e 3.76(5) . . ? C2133 H2213a 3.49(6) . . ? C2133 H2234a 3.45(6) . 2_756 ? C2133 H2234e 3.55(6) . 2_756 ? C2134 C2136 2.40(7) . . ? C2134 C2234 4.00(9) . 2_756 ? C2134 H1133e 3.82(4) . 2_756 ? C2134 H1134a 3.65(4) . 2_756 ? C2134 H1134e 3.44(4) . 2_756 ? C2134 H1225a 3.35(5) . 1_655 ? C2134 H2131 3.23(4) . . ? C2134 H2132a 2.51(5) . . ? C2134 H2132e 3.24(4) . . ? C2134 H2133a 2.09(5) . . ? C2134 H2133e 2.09(4) . . ? C2134 H2135a 2.11(4) . . ? C2134 H2135e 2.07(4) . . ? C2134 H2136a 2.44(6) . . ? C2134 H2136e 3.21(5) . . ? C2134 H2215e 3.50(6) . 2_746 ? C2134 H2224e 3.65(4) . 1_655 ? C2134 H2225a 3.64(4) . 1_655 ? C2134 H2234a 3.66(6) . 2_756 ? C2134 H2234e 3.51(6) . 2_756 ? C2135 H1215e 3.49(4) . 1_655 ? C2135 H1216a 3.18(4) . 1_655 ? C2135 H1221 3.79(6) . 1_655 ? C2135 H1225a 3.13(5) . 1_655 ? C2135 H1226e 3.69(4) . 1_655 ? C2135 H2126e 3.87(4) . . ? C2135 H2131 2.64(4) . . ? C2135 H2132a 3.15(4) . . ? C2135 H2132e 3.81(4) . . ? C2135 H2133a 2.79(4) . . ? C2135 H2133e 3.42(4) . . ? C2135 H2134a 2.11(4) . . ? C2135 H2134e 2.12(4) . . ? C2135 H2136a 1.99(6) . . ? C2135 H2136e 1.98(5) . . ? C2135 H2224e 3.21(5) . 1_655 ? C2135 H2225a 3.59(4) . 1_655 ? C2136 H1215e 3.84(4) . 1_655 ? C2136 H1216a 3.18(4) . 1_655 ? C2136 H1216e 3.82(4) . 1_655 ? C2136 H1221 3.35(5) . 1_655 ? C2136 H1225a 3.46(4) . 1_655 ? C2136 H2111 3.28(5) . . ? C2136 H2116e 2.90(6) . . ? C2136 H2121 3.19(5) . . ? C2136 H2126e 3.12(4) . . ? C2136 H2131 2.07(5) . . ? C2136 H2132a 2.48(4) . . ? C2136 H2132e 3.25(4) . . ? C2136 H2133a 3.29(6) . . ? C2136 H2133e 3.79(5) . . ? C2136 H2134a 2.60(4) . . ? C2136 H2134e 3.29(5) . . ? C2136 H2135a 2.08(6) . . ? C2136 H2135e 2.07(5) . . ? C2136 H2215e 3.93(4) . 2_746 ? As22 C2212 2.90(7) . . ? As22 C2216 2.96(7) . . ? As22 C2222 2.91(6) . . ? As22 C2223 4.24(6) . . ? As22 C2226 2.99(5) . . ? As22 C2232 2.84(7) . . ? As22 C2233 4.27(6) . . ? As22 C2236 2.93(5) . . ? As22 H2132e 3.584(7) . . ? As22 H2211 2.33(2) . . ? As22 H2212a 3.11(4) . . ? As22 H2212e 2.99(2) . . ? As22 H2216a 3.18(3) . . ? As22 H2216e 3.05(2) . . ? As22 H2221 2.177(6) . . ? As22 H2222a 3.06(3) . . ? As22 H2222e 2.930(8) . . ? As22 H2226a 3.22(2) . . ? As22 H2226e 3.063(6) . . ? As22 H2231 2.358(8) . . ? As22 H2232a 2.89(4) . . ? As22 H2232e 2.91(3) . . ? As22 H2236a 3.02(3) . . ? As22 H2236e 3.040(10) . . ? C2211 C2213 2.41(9) . . ? C2211 C2214 2.80(10) . . ? C2211 C2215 2.50(9) . . ? C2211 C2221 3.08(8) . . ? C2211 C2222 3.84(8) . . ? C2211 C2226 3.72(7) . . ? C2211 C2231 3.20(8) . . ? C2211 C2236 3.68(9) . . ? C2211 H2132e 3.44(6) . . ? C2211 H2212a 1.94(6) . . ? C2211 H2212e 1.95(5) . . ? C2211 H2213a 2.90(6) . . ? C2211 H2213e 3.16(6) . . ? C2211 H2214a 3.34(7) . . ? C2211 H2214e 3.63(6) . . ? C2211 H2215a 3.00(6) . . ? C2211 H2215e 3.23(6) . . ? C2211 H2216a 1.93(6) . . ? C2211 H2216e 1.94(5) . . ? C2211 H2221 3.78(6) . . ? C2211 H2222a 3.41(6) . . ? C2211 H2226a 3.36(5) . . ? C2211 H2226e 4.00(5) . . ? C2211 H2231 3.16(6) . . ? C2211 H2236a 3.96(7) . . ? C2211 H2236e 3.19(7) . . ? C2212 C2214 2.53(9) . . ? C2212 C2215 2.98(7) . . ? C2212 C2216 2.48(6) . . ? C2212 C2221 3.77(8) . . ? C2212 H26 3.29(5) . . ? C2212 H1115e 3.77(5) . 1_565 ? C2212 H1116e 3.58(6) . 1_565 ? C2212 H1136a 3.84(6) . 1_565 ? C2212 H2132e 3.50(6) . . ? C2212 H2133a 3.75(5) . . ? C2212 H2211 1.71(5) . . ? C2212 H2213a 2.05(5) . . ? C2212 H2213e 2.09(6) . . ? C2212 H2214a 3.03(6) . . ? C2212 H2214e 3.31(6) . . ? C2212 H2215a 3.52(5) . . ? C2212 H2215e 3.75(5) . . ? C2212 H2216a 2.95(4) . . ? C2212 H2216e 3.16(4) . . ? C2212 H2222a 3.50(5) . . ? C2213 C2215 2.46(7) . . ? C2213 C2216 2.84(7) . . ? C2213 H1115a 3.49(6) . 1_565 ? C2213 H1115e 3.71(6) . 1_565 ? C2213 H1116e 3.73(6) . 1_565 ? C2213 H1136a 3.88(6) . 1_565 ? C2213 H2114e 3.78(7) . 1_565 ? C2213 H2133a 3.49(6) . . ? C2213 H2211 2.49(7) . . ? C2213 H2212a 2.04(6) . . ? C2213 H2212e 2.00(7) . . ? C2213 H2214a 1.95(6) . . ? C2213 H2214e 1.93(6) . . ? C2213 H2215a 2.92(5) . . ? C2213 H2215e 3.21(5) . . ? C2213 H2216a 3.36(5) . . ? C2213 H2216e 3.54(6) . . ? C2213 H2235e 3.29(6) . 2_756 ? C2214 C2216 2.52(9) . . ? C2214 H1134a 3.48(6) . 1_565 ? C2214 H1136a 3.82(6) . 1_565 ? C2214 H2113e 3.95(7) . 1_565 ? C2214 H2114e 3.39(7) . 1_565 ? C2214 H2132a 3.57(6) . 2_756 ? C2214 H2134a 3.96(6) . 2_756 ? C2214 H2211 2.93(7) . . ? C2214 H2212a 2.96(6) . . ? C2214 H2212e 3.19(7) . . ? C2214 H2213a 1.84(6) . . ? C2214 H2213e 1.85(6) . . ? C2214 H2215a 2.01(6) . . ? C2214 H2215e 2.03(5) . . ? C2214 H2216a 2.93(6) . . ? C2214 H2216e 3.19(6) . . ? C2214 H2235e 3.19(5) . 2_756 ? C2215 H1134a 3.66(6) . 1_565 ? C2215 H1223a 3.54(5) . 2_656 ? C2215 H2111 3.39(5) . 2_756 ? C2215 H2113a 3.82(5) . 2_756 ? C2215 H2115a 3.17(5) . 2_756 ? C2215 H2132a 3.26(6) . 2_756 ? C2215 H2134a 3.55(6) . 2_756 ? C2215 H2136a 3.77(5) . 2_756 ? C2215 H2211 2.59(6) . . ? C2215 H2212a 3.52(5) . . ? C2215 H2212e 3.69(5) . . ? C2215 H2213a 2.86(4) . . ? C2215 H2213e 3.19(4) . . ? C2215 H2214a 2.01(6) . . ? C2215 H2214e 1.98(5) . . ? C2215 H2216a 2.00(5) . . ? C2215 H2216e 1.97(6) . . ? C2216 C2221 3.66(9) . . ? C2216 C2226 3.71(7) . . ? C2216 C2231 3.45(9) . . ? C2216 C2236 3.91(9) . . ? C2216 H1135e 3.83(6) . 1_565 ? C2216 H1223a 3.16(5) . 2_656 ? C2216 H1223e 3.64(5) . 2_656 ? C2216 H1224e 3.54(5) . 2_656 ? C2216 H2115a 3.30(5) . 2_756 ? C2216 H2211 1.72(5) . . ? C2216 H2212a 2.98(5) . . ? C2216 H2212e 3.18(5) . . ? C2216 H2213a 3.35(5) . . ? C2216 H2213e 3.63(5) . . ? C2216 H2214a 3.00(7) . . ? C2216 H2214e 3.28(6) . . ? C2216 H2215a 2.05(6) . . ? C2216 H2215e 2.08(7) . . ? C2216 H2226a 3.08(5) . . ? C2216 H2226e 3.88(5) . . ? C2216 H2231 3.01(7) . . ? C2216 H2236e 3.29(7) . . ? C2221 C2223 2.32(8) . . ? C2221 C2224 2.82(9) . . ? C2221 C2225 2.52(7) . . ? C2221 C2231 3.23(8) . . ? C2221 C2232 3.64(9) . . ? C2221 H1225e 3.99(7) . . ? C2221 H2211 3.81(6) . . ? C2221 H2212a 3.47(6) . . ? C2221 H2216a 3.30(7) . . ? C2221 H2216e 3.97(7) . . ? C2221 H2222a 1.71(7) . . ? C2221 H2222e 1.77(6) . . ? C2221 H2223a 2.80(6) . . ? C2221 H2223e 3.06(7) . . ? C2221 H2224a 3.23(7) . . ? C2221 H2224e 3.66(6) . . ? C2221 H2225a 2.90(6) . . ? C2221 H2225e 3.31(6) . . ? C2221 H2226a 2.10(6) . . ? C2221 H2226e 2.16(6) . . ? C2221 H2231 3.24(7) . . ? C2221 H2232a 3.87(7) . . ? C2221 H2232e 3.13(7) . . ? C2222 C2224 2.50(8) . . ? C2222 C2225 2.78(7) . . ? C2222 C2226 2.47(7) . . ? C2222 H22 3.80(6) . . ? C2222 H1136e 3.66(7) . 1_565 ? C2222 H2212a 3.61(6) . . ? C2222 H2221 1.62(6) . . ? C2222 H2223a 1.93(6) . . ? C2222 H2223e 1.99(6) . . ? C2222 H2224a 2.91(6) . . ? C2222 H2224e 3.27(6) . . ? C2222 H2225a 3.16(5) . . ? C2222 H2225e 3.64(5) . . ? C2222 H2226a 2.94(5) . . ? C2222 H2226e 3.17(5) . . ? C2223 C2225 2.35(6) . . ? C2223 C2226 2.85(7) . . ? C2223 H1123a 3.26(6) . 1_565 ? C2223 H1136e 3.58(6) . 1_565 ? C2223 H1212a 3.91(6) . . ? C2223 H1213e 3.82(5) . . ? C2223 H1214a 3.59(5) . . ? C2223 H1226e 3.76(6) . . ? C2223 H2135e 3.98(5) . 1_455 ? C2223 H2221 2.51(6) . . ? C2223 H2222a 1.98(5) . . ? C2223 H2222e 1.95(5) . . ? C2223 H2224a 2.08(6) . . ? C2223 H2224e 2.06(5) . . ? C2223 H2225a 2.68(5) . . ? C2223 H2225e 3.18(5) . . ? C2223 H2226a 3.37(5) . . ? C2223 H2226e 3.59(5) . . ? C2224 C2226 2.43(8) . . ? C2224 H1123a 3.94(6) . 1_565 ? C2224 H1135e 3.93(7) . 1_565 ? C2224 H1136e 3.60(7) . 1_565 ? C2224 H2134e 3.74(6) . 1_455 ? C2224 H2135a 3.85(6) . 1_455 ? C2224 H2135e 3.48(7) . 1_455 ? C2224 H2221 3.10(7) . . ? C2224 H2222a 2.92(5) . . ? C2224 H2222e 3.26(6) . . ? C2224 H2223a 2.00(6) . . ? C2224 H2223e 2.04(6) . . ? C2224 H2225a 1.78(7) . . ? C2224 H2225e 1.84(6) . . ? C2224 H2226a 2.83(6) . . ? C2224 H2226e 3.14(7) . . ? C2224 H2233a 3.98(7) . 2_656 ? C2224 H2233e 3.88(6) . 2_656 ? C2224 H2234e 3.92(6) . 2_656 ? C2225 H1134e 3.58(5) . 2_656 ? C2225 H1135e 3.91(6) . 1_565 ? C2225 H1224e 3.82(5) . 2_656 ? C2225 H1225e 3.44(6) . . ? C2225 H2134e 3.53(4) . 1_455 ? C2225 H2135e 3.59(5) . 1_455 ? C2225 H2221 2.71(5) . . ? C2225 H2222a 3.30(4) . . ? C2225 H2222e 3.56(4) . . ? C2225 H2223a 2.74(5) . . ? C2225 H2223e 3.12(5) . . ? C2225 H2224a 1.85(6) . . ? C2225 H2224e 1.81(5) . . ? C2225 H2226a 2.04(5) . . ? C2225 H2226e 2.00(5) . . ? C2225 H2232e 3.97(6) . . ? C2225 H2233e 3.47(5) . 2_656 ? C2226 C2231 3.39(7) . . ? C2226 C2232 3.73(9) . . ? C2226 H1135e 3.68(6) . 1_565 ? C2226 H1223e 3.34(4) . 2_656 ? C2226 H1224a 3.87(5) . 2_656 ? C2226 H1224e 3.29(5) . 2_656 ? C2226 H1225e 3.55(6) . . ? C2226 H2216a 3.09(5) . . ? C2226 H2216e 3.85(5) . . ? C2226 H2221 1.98(5) . . ? C2226 H2222a 2.88(4) . . ? C2226 H2222e 3.21(4) . . ? C2226 H2223a 3.35(5) . . ? C2226 H2223e 3.66(5) . . ? C2226 H2224a 2.78(5) . . ? C2226 H2224e 3.19(5) . . ? C2226 H2225a 1.96(5) . . ? C2226 H2225e 1.99(5) . . ? C2226 H2231 2.98(5) . . ? C2226 H2232e 3.06(6) . . ? C2231 C2233 2.53(8) . . ? C2231 C2234 2.92(8) . . ? C2231 C2235 2.60(7) . . ? C2231 H1223e 3.82(4) . 2_656 ? C2231 H2112e 3.99(5) . . ? C2231 H2132e 3.94(3) . . ? C2231 H2211 3.11(5) . . ? C2231 H2216a 3.73(6) . . ? C2231 H2216e 3.00(5) . . ? C2231 H2221 3.06(4) . . ? C2231 H2226a 3.67(5) . . ? C2231 H2226e 2.92(4) . . ? C2231 H2232a 1.95(5) . . ? C2231 H2232e 1.98(4) . . ? C2231 H2233a 2.76(4) . . ? C2231 H2233e 3.29(5) . . ? C2231 H2234a 3.24(5) . . ? C2231 H2234e 3.72(5) . . ? C2231 H2235a 2.83(4) . . ? C2231 H2235e 3.40(4) . . ? C2231 H2236a 2.08(4) . . ? C2231 H2236e 2.12(4) . . ? C2232 C2234 2.50(7) . . ? C2232 C2235 2.98(6) . . ? C2232 C2236 2.52(6) . . ? C2232 H1224a 3.61(5) . . ? C2232 H1225e 3.40(4) . . ? C2232 H1226a 3.96(5) . . ? C2232 H2112e 3.76(5) . . ? C2232 H2221 3.06(6) . . ? C2232 H2226e 3.10(6) . . ? C2232 H2231 2.08(6) . . ? C2232 H2233a 2.07(4) . . ? C2232 H2233e 2.03(6) . . ? C2232 H2234a 2.70(6) . . ? C2232 H2234e 3.28(5) . . ? C2232 H2235a 3.37(4) . . ? C2232 H2235e 3.80(4) . . ? C2232 H2236a 2.73(4) . . ? C2232 H2236e 3.36(5) . . ? C2233 C2235 2.52(7) . . ? C2233 C2236 2.95(7) . . ? C2233 H1133e 3.52(6) . . ? C2233 H1135a 3.97(5) . 2_656 ? C2233 H1224a 3.55(5) . . ? C2233 H1225e 3.92(5) . . ? C2233 H2134e 3.83(6) . 2_746 ? C2233 H2224a 3.82(4) . 2_646 ? C2233 H2225e 3.18(5) . 2_646 ? C2233 H2226e 4.00(6) . . ? C2233 H2231 2.78(6) . . ? C2233 H2232a 2.08(4) . . ? C2233 H2232e 2.09(5) . . ? C2233 H2234a 1.95(5) . . ? C2233 H2234e 1.96(5) . . ? C2233 H2235a 2.82(5) . . ? C2233 H2235e 3.32(5) . . ? C2233 H2236a 3.28(5) . . ? C2233 H2236e 3.82(5) . . ? C2234 C2236 2.46(8) . . ? C2234 H1133e 3.79(6) . . ? C2234 H2112e 3.93(4) . . ? C2234 H2133a 3.51(6) . 2_746 ? C2234 H2133e 3.65(6) . 2_746 ? C2234 H2134e 3.16(7) . 2_746 ? C2234 H2225e 3.84(5) . 2_646 ? C2234 H2231 3.27(7) . . ? C2234 H2232a 2.74(5) . . ? C2234 H2232e 3.32(5) . . ? C2234 H2233a 2.03(5) . . ? C2234 H2233e 1.99(5) . . ? C2234 H2235a 2.05(6) . . ? C2234 H2235e 2.01(5) . . ? C2234 H2236a 2.73(5) . . ? C2234 H2236e 3.31(6) . . ? C2235 H2114e 3.33(5) . 2_756 ? C2235 H2115e 3.87(6) . 2_756 ? C2235 H2133a 3.94(6) . 2_746 ? C2235 H2213a 3.53(5) . 2_746 ? C2235 H2214e 3.20(4) . 2_746 ? C2235 H2231 2.85(5) . . ? C2235 H2232a 3.27(4) . . ? C2235 H2232e 3.83(4) . . ? C2235 H2233a 2.79(4) . . ? C2235 H2233e 3.28(5) . . ? C2235 H2234a 1.93(6) . . ? C2235 H2234e 1.95(5) . . ? C2235 H2236a 2.06(4) . . ? C2235 H2236e 2.10(6) . . ? C2236 H2112e 3.45(5) . . ? C2236 H2114e 3.53(5) . 2_756 ? C2236 H2132a 3.71(4) . . ? C2236 H2132e 3.09(4) . . ? C2236 H2211 3.15(6) . . ? C2236 H2214e 3.51(4) . 2_746 ? C2236 H2216e 3.29(6) . . ? C2236 H2231 2.15(5) . . ? C2236 H2232a 2.67(5) . . ? C2236 H2232e 3.33(4) . . ? C2236 H2233a 3.32(4) . . ? C2236 H2233e 3.73(5) . . ? C2236 H2234a 2.65(6) . . ? C2236 H2234e 3.25(5) . . ? C2236 H2235a 2.07(4) . . ? C2236 H2235e 2.04(5) . . ? Ag3 N31 3.12(6) . . ? Ag3 N32 3.09(5) . . ? Ag3 H14 3.917(7) . 1_554 ? Ag3 H15 4.007(18) . 1_554 ? Ag3 H1114e 4.271(18) . 2_756 ? Ag3 H1123e 3.424(5) . 2_656 ? Ag3 H1235a 3.29(3) . 2_656 ? Ag3 H2133a 3.98(3) . 2_746 ? Ag3 H2135a 3.60(4) . 2_746 ? Ag3 H2213a 4.257(8) . 2_746 ? Ag3 H2224a 4.283(12) . 2_646 ? Ag3 H2224e 3.79(2) . 2_646 ? Ag3 H2234e 3.190(8) . . ? Ag3 H2235a 3.444(18) . . ? Ag3 H2235e 3.905(8) . . ? C31 C32 3.97(8) . . ? C31 H1122a 4.00(5) . 2_656 ? C31 H1122e 3.07(5) . 2_656 ? C31 H1123e 3.34(5) . 2_656 ? C31 H1222e 3.40(7) . 2_656 ? C31 H1235a 3.17(6) . 2_656 ? C31 H1236e 3.93(7) . 2_656 ? C31 H2115e 3.78(6) . 2_756 ? C31 H2224a 3.52(6) . 2_646 ? C31 H2224e 3.79(7) . 2_646 ? C31 H2233a 3.37(5) . . ? C31 H2234e 3.19(6) . . ? C31 H2235a 3.02(5) . . ? N31 H1122e 2.94(5) . 2_656 ? N31 H1131 3.08(5) . 2_656 ? N31 H1135a 3.03(5) . 2_656 ? N31 H1136e 3.79(5) . 2_656 ? N31 H1222a 3.48(6) . 2_656 ? N31 H1222e 2.68(7) . 2_656 ? N31 H1223e 3.29(6) . 2_656 ? N31 H1235a 3.85(5) . 2_656 ? N31 H1236e 3.89(6) . 2_656 ? N31 H2115e 3.90(6) . 2_756 ? N31 H2224a 3.43(6) . 2_646 ? N31 H2231 3.98(5) . . ? N31 H2233a 2.83(5) . . ? N31 H2234e 3.46(6) . . ? N31 H2235a 3.11(5) . . ? C32 H14 2.81(5) . 1_554 ? C32 H15 3.35(4) . 1_554 ? C32 H26 3.54(5) . 2_746 ? C32 H1114e 3.80(6) . 2_756 ? C32 H1115e 3.33(5) . 2_756 ? C32 H1215e 3.89(6) . 2_646 ? C32 H2126e 3.81(6) . 2_746 ? C32 H2131 3.20(6) . 2_746 ? C32 H2133a 3.52(5) . 2_746 ? C32 H2135a 3.17(6) . 2_746 ? C32 H2212e 3.93(5) . 2_746 ? C32 H2213a 3.76(4) . 2_746 ? N32 H14 2.75(4) . 1_554 ? N32 H15 3.58(4) . 1_554 ? N32 H25 3.71(4) . 2_746 ? N32 H26 2.51(4) . 2_746 ? N32 H1114e 3.90(6) . 2_756 ? N32 H1115a 3.94(5) . 2_756 ? N32 H1115e 2.92(5) . 2_756 ? N32 H2126a 3.35(6) . 2_746 ? N32 H2126e 3.19(6) . 2_746 ? N32 H2131 2.75(5) . 2_746 ? N32 H2133a 3.68(4) . 2_746 ? N32 H2135a 3.51(5) . 2_746 ? N32 H2212e 3.37(4) . 2_746 ? N32 H2213a 3.79(4) . 2_746 ? N32 H2213e 3.95(4) . 2_746 ? H12 H13 2.3810(7) . . ? H12 H16 3.8760(9) . . ? H12 H22 3.0330(5) . . ? H12 H23 3.7774(7) . . ? H12 H1112a 3.7510(8) . . ? H12 H1112e 2.8120(5) . . ? H12 H1212e 3.4850(13) . . ? H12 H2122a 2.6903(8) . . ? H12 H2122e 3.5152(10) . . ? H12 H2123e 3.0817(12) . . ? H12 H2124a 3.6582(11) . . ? H13 H14 2.2665(6) . . ? H13 H15 3.9929(9) . . ? H13 H23 3.4206(6) . . ? H13 H25 3.2569(7) . 2_747 ? H13 H1113e 3.9449(7) . 2_757 ? H13 H1114a 2.5821(6) . 2_757 ? H13 H1114e 3.1921(8) . 2_757 ? H13 H1234e 3.4904(6) . 2_657 ? H13 H2122a 3.7163(11) . . ? H13 H2123e 2.9441(7) . . ? H13 H2124a 2.8083(7) . . ? H13 H2124e 3.4005(13) . . ? H14 H15 2.3291(7) . . ? H14 H16 3.9482(9) . . ? H14 H25 3.3227(12) . 2_747 ? H14 H1114a 3.0534(8) . 2_757 ? H14 H1114e 2.7705(5) . 2_757 ? H14 H1115e 3.3780(10) . 2_757 ? H14 H1234e 3.4546(7) . 2_657 ? H15 H16 2.3485(7) . . ? H15 H1123a 3.9387(12) . 2_657 ? H15 H1123e 3.1991(7) . 2_657 ? H15 H1124e 3.4139(12) . 2_657 ? H15 H1214a 3.0202(8) . 2_647 ? H15 H1214e 2.7860(7) . 2_647 ? H15 H1215a 2.8893(6) . 2_647 ? H15 H1215e 2.8340(5) . 2_647 ? H15 H2125e 3.8720(7) . 2_747 ? H16 H1122a 3.9618(7) . . ? H16 H1124e 3.4427(8) . 2_657 ? H16 H1126a 2.8685(5) . . ? H16 H1212e 3.6632(6) . . ? H16 H1214a 3.7302(10) . 2_647 ? H16 H1214e 2.5164(5) . 2_647 ? H16 H1215a 3.1928(7) . 2_647 ? H16 H1232a 3.7311(14) . . ? H16 H1232e 2.5554(9) . . ? H22 H23 2.3218(7) . . ? H22 H24 3.8249(7) . . ? H22 H26 3.9546(9) . . ? H22 H1212a 2.7951(10) . . ? H22 H1212e 3.2482(9) . . ? H22 H1213a 3.8481(11) . . ? H22 H1213e 2.8953(9) . . ? H22 H2122a 3.5522(10) . . ? H22 H2222e 2.9008(7) . . ? H23 H24 2.1379(5) . . ? H23 H25 3.8497(9) . . ? H23 H1113e 3.9613(11) . 2_757 ? H23 H1125a 3.8179(7) . 1_565 ? H23 H1212a 3.9380(9) . . ? H23 H1212e 3.6771(8) . . ? H23 H1213a 3.2206(12) . . ? H23 H1213e 2.8559(10) . . ? H23 H1233a 3.9369(10) . 2_657 ? H23 H1233e 2.7021(8) . 2_657 ? H23 H1234a 2.7207(7) . 2_657 ? H23 H1234e 2.6210(8) . 2_657 ? H24 H25 2.2330(5) . . ? H24 H1113a 3.9841(12) . 2_757 ? H24 H1113e 2.6930(7) . 2_757 ? H24 H1125a 3.9619(11) . 1_565 ? H24 H1234a 2.8644(8) . 2_657 ? H24 H1234e 3.3811(7) . 2_657 ? H24 H2123a 2.8202(6) . 2_757 ? H24 H2123e 2.7107(5) . 2_757 ? H24 H2124a 3.8821(7) . . ? H24 H2124e 3.4259(7) . 2_757 ? H25 H26 2.4981(7) . . ? H25 H1114a 3.0819(6) . 1_565 ? H25 H1115e 2.9821(7) . 1_565 ? H25 H1116a 3.1731(5) . 1_565 ? H25 H2123a 3.9869(12) . 2_757 ? H25 H2123e 3.1731(10) . 2_757 ? H25 H2124e 3.2368(6) . 2_757 ? H25 H2126a 3.7818(6) . . ? H26 H1115e 2.7511(6) . 1_565 ? H26 H1116a 3.7919(7) . 1_565 ? H26 H1116e 3.7327(7) . 1_565 ? H26 H2126a 2.7572(5) . . ? H26 H2126e 3.7166(9) . . ? H26 H2131 3.4546(8) . . ? H26 H2212a 2.9977(7) . . ? H26 H2212e 2.7182(9) . . ? H1111 H1112a 2.8627(10) . . ? H1111 H1112e 2.4244(5) . . ? H1111 H1113a 3.0029(9) . . ? H1111 H1113e 3.8724(10) . . ? H1111 H1114a 3.8652(9) . . ? H1111 H1114e 3.9982(12) . . ? H1111 H1115a 2.3616(7) . . ? H1111 H1115e 3.3505(6) . . ? H1111 H1116a 2.6360(5) . . ? H1111 H1116e 2.0679(4) . . ? H1111 H1121 3.5499(8) . . ? H1111 H1126e 3.9774(10) . . ? H1111 H1131 3.7871(14) . . ? H1111 H1132a 2.1861(6) . . ? H1111 H1132e 3.0878(6) . . ? H1111 H1136a 2.7914(5) . . ? H1111 H1136e 3.7601(10) . . ? H1111 H2112a 3.4743(6) . . ? H1111 H2113e 3.5768(9) . . ? H1111 H2114a 3.4002(10) . . ? H1111 H2213e 3.7767(6) . 1_545 ? H1112a H1112e 1.5512(3) . . ? H1112a H1113a 2.9860(9) . . ? H1112a H1113e 2.4947(10) . . ? H1112a H1114a 2.9054(8) . . ? H1112a H1114e 3.8576(13) . . ? H1112a H1115a 3.8356(9) . . ? H1112a H1116a 2.5949(5) . . ? H1112a H1116e 3.5906(8) . . ? H1112a H1121 3.8421(8) . . ? H1112a H1126a 2.9923(10) . . ? H1112a H1126e 2.3684(5) . . ? H1112a H2124a 3.8146(9) . 2_747 ? H1112a H2124e 3.2984(6) . 2_747 ? H1112a H2125e 3.4677(11) . 2_747 ? H1112e H1113a 2.4972(9) . . ? H1112e H1113e 2.6314(8) . . ? H1112e H1114a 3.7772(7) . . ? H1112e H1115a 3.8518(6) . . ? H1112e H1116a 3.5426(7) . . ? H1112e H1116e 3.9839(7) . . ? H1112e H1126a 3.9620(9) . . ? H1112e H1126e 3.6972(6) . . ? H1112e H1132a 3.9801(12) . . ? H1112e H2112a 3.7417(10) . . ? H1112e H2122a 3.5706(7) . . ? H1112e H2122e 3.0584(7) . . ? H1112e H2123e 3.4125(7) . . ? H1113a H1113e 1.5514(5) . . ? H1113a H1114a 2.7720(5) . . ? H1113a H1114e 2.2402(4) . . ? H1113a H1115a 2.6492(5) . . ? H1113a H1115e 3.6194(7) . . ? H1113a H1116a 3.8748(8) . . ? H1113a H1234a 3.8612(12) . 1_655 ? H1113a H1234e 3.8327(12) . 1_655 ? H1113a H1235a 3.8943(14) . 1_655 ? H1113a H1235e 2.6841(11) . 1_655 ? H1113a H2112a 3.5193(8) . . ? H1113a H2114a 3.2435(11) . . ? H1113a H2116a 2.9982(6) . . ? H1113a H2122a 3.8831(8) . . ? H1113a H2122e 2.5241(5) . . ? H1113a H2123a 3.2737(5) . . ? H1113a H2123e 3.2806(6) . . ? H1113e H1114a 2.2377(5) . . ? H1113e H1114e 2.3784(4) . . ? H1113e H1115a 3.5917(8) . . ? H1113e H1116a 3.8854(7) . . ? H1113e H1234a 3.5097(14) . 1_655 ? H1113e H1234e 3.4549(13) . 1_655 ? H1113e H1235e 3.3371(10) . 1_655 ? H1113e H2122e 3.2312(6) . . ? H1113e H2123a 3.0683(6) . . ? H1113e H2123e 2.7371(5) . . ? H1113e H2124a 3.7883(8) . 2_747 ? H1114a H1114e 1.5511(4) . . ? H1114a H1115a 2.7915(9) . . ? H1114a H1115e 2.3000(6) . . ? H1114a H1116a 2.5683(8) . . ? H1114a H1116e 3.5753(9) . . ? H1114a H1126e 3.8839(15) . . ? H1114a H1234e 3.7360(13) . 1_655 ? H1114a H2124a 3.2081(10) . 2_747 ? H1114a H2124e 3.0340(8) . 2_747 ? H1114e H1115a 2.2948(6) . . ? H1114e H1115e 2.3287(4) . . ? H1114e H1116a 3.5380(13) . . ? H1114e H1116e 3.9906(13) . . ? H1114e H1234a 3.7660(7) . 1_655 ? H1114e H1234e 2.8412(8) . 1_655 ? H1114e H1235a 3.1456(10) . 1_655 ? H1114e H1235e 2.8517(5) . 1_655 ? H1114e H2114a 3.9831(11) . . ? H1115a H1115e 1.5514(3) . . ? H1115a H1116a 2.7241(7) . . ? H1115a H1116e 2.2349(8) . . ? H1115a H1132a 3.9708(10) . . ? H1115a H1136a 3.9446(13) . . ? H1115a H2114a 2.6765(5) . . ? H1115a H2114e 3.7902(10) . . ? H1115a H2212a 3.6461(6) . 1_545 ? H1115a H2213a 3.8066(9) . 1_545 ? H1115a H2213e 2.5173(6) . 1_545 ? H1115a H2214a 3.9334(12) . 1_545 ? H1115e H1116a 2.2355(7) . . ? H1115e H1116e 2.2167(8) . . ? H1115e H2212a 3.2738(7) . 1_545 ? H1115e H2212e 3.6707(8) . 1_545 ? H1115e H2213a 3.9625(12) . 1_545 ? H1115e H2213e 2.9586(10) . 1_545 ? H1116a H1116e 1.5513(5) . . ? H1116a H1121 2.5639(10) . . ? H1116a H1125a 3.7825(10) . . ? H1116a H1126a 3.7196(9) . . ? H1116a H1126e 2.3706(6) . . ? H1116a H1136a 3.7796(11) . . ? H1116a H2124e 3.3790(11) . 2_747 ? H1116a H2212a 3.9293(10) . 1_545 ? H1116e H1121 2.6767(9) . . ? H1116e H1126e 3.6009(10) . . ? H1116e H1132a 3.4965(6) . . ? H1116e H1136a 2.4216(6) . . ? H1116e H1136e 3.1383(11) . . ? H1116e H2212a 2.7229(5) . 1_545 ? H1116e H2212e 3.9625(6) . 1_545 ? H1116e H2213e 3.0014(8) . 1_545 ? H1116e H2222a 3.6800(7) . 1_545 ? H1121 H1122a 2.7683(7) . . ? H1121 H1122e 2.3059(8) . . ? H1121 H1123a 2.6868(8) . . ? H1121 H1123e 3.6564(14) . . ? H1121 H1124a 3.7913(10) . . ? H1121 H1125a 2.6714(7) . . ? H1121 H1125e 3.6966(12) . . ? H1121 H1126a 2.8860(7) . . ? H1121 H1126e 2.4255(6) . . ? H1121 H1131 3.4442(6) . . ? H1121 H1136a 3.1969(10) . . ? H1121 H1136e 2.4963(8) . . ? H1121 H2222a 3.4677(6) . 1_545 ? H1121 H2223e 3.1877(5) . 1_545 ? H1122a H1122e 1.5513(4) . . ? H1122a H1123a 2.8709(6) . . ? H1122a H1123e 2.4216(5) . . ? H1122a H1124a 2.3245(6) . . ? H1122a H1124e 3.4427(6) . . ? H1122a H1125a 3.6072(6) . . ? H1122a H1125e 3.7588(8) . . ? H1122a H1126a 2.3659(7) . . ? H1122a H1126e 3.4127(11) . . ? H1122a H1131 3.4003(10) . . ? H1122a H1136e 3.9987(10) . . ? H1122a H1231 2.6141(5) . . ? H1122a H1232e 3.1431(5) . . ? H1122a H1233a 2.9002(9) . . ? H1122e H1123a 2.4431(4) . . ? H1122e H1123e 2.4038(5) . . ? H1122e H1124a 3.4199(11) . . ? H1122e H1125a 3.9041(8) . . ? H1122e H1126a 3.4796(9) . . ? H1122e H1131 2.4815(5) . . ? H1122e H1135a 3.8624(13) . . ? H1122e H1136a 3.9238(11) . . ? H1122e H1136e 2.6602(6) . . ? H1122e H1222e 3.7892(6) . . ? H1122e H1231 3.4110(6) . . ? H1122e H1233a 3.9135(9) . . ? H1122e H2223e 3.4343(7) . 1_545 ? H1122e H2224a 3.7066(7) . 1_545 ? H1123a H1123e 1.5512(4) . . ? H1123a H1124a 2.8092(6) . . ? H1123a H1124e 2.3525(8) . . ? H1123a H1125a 2.4881(7) . . ? H1123a H1125e 3.5347(9) . . ? H1123a H1126a 3.9277(7) . . ? H1123a H1136e 3.8766(9) . . ? H1123a H1213e 3.5982(7) . 1_545 ? H1123a H1214a 2.7052(5) . 1_545 ? H1123a H1214e 3.7858(6) . 1_545 ? H1123a H2223a 3.4243(6) . 1_545 ? H1123a H2223e 2.3081(5) . 1_545 ? H1123a H2224a 3.8139(13) . 1_545 ? H1123a H2224e 3.9469(10) . 1_545 ? H1123e H1124a 2.3340(6) . . ? H1123e H1124e 2.3491(6) . . ? H1123e H1125a 3.4796(11) . . ? H1123e H1125e 3.9774(11) . . ? H1123e H1214a 3.3535(7) . 1_545 ? H1123e H1233a 2.9923(5) . . ? H1123e H1235a 3.7639(8) . . ? H1123e H2223e 3.5530(7) . 1_545 ? H1124a H1124e 1.5513(3) . . ? H1124a H1125a 2.7028(7) . . ? H1124a H1125e 2.2231(7) . . ? H1124a H1126a 2.5298(8) . . ? H1124a H1126e 3.5087(13) . . ? H1124a H1211 3.6624(12) . 2_647 ? H1124a H1212e 3.9047(11) . 2_647 ? H1124a H1213a 3.0597(7) . 2_647 ? H1124a H1214e 3.6018(7) . 2_647 ? H1124a H1215a 3.8929(9) . 2_647 ? H1124a H1232a 3.7793(7) . 2_647 ? H1124a H1232e 3.6518(7) . . ? H1124a H1233a 2.8257(7) . . ? H1124a H1233e 3.4048(8) . . ? H1124e H1125a 2.2267(8) . . ? H1124e H1125e 2.1873(7) . . ? H1124e H1126a 3.6094(7) . . ? H1124e H1211 3.4505(11) . 2_647 ? H1124e H1212e 3.9636(10) . 2_647 ? H1124e H1213a 3.9220(6) . 2_647 ? H1124e H1213e 3.9407(7) . 1_545 ? H1124e H1214a 3.2154(5) . 1_545 ? H1124e H1214e 3.2530(6) . 1_545 ? H1124e H1232a 2.7996(7) . 2_647 ? H1124e H1232e 3.2640(7) . 2_647 ? H1124e H1233a 3.9027(7) . . ? H1125a H1125e 1.5513(4) . . ? H1125a H1126a 2.9050(6) . . ? H1125a H1126e 2.4477(5) . . ? H1125a H1213e 3.5606(7) . 1_545 ? H1125a H1214a 3.8973(9) . 1_545 ? H1125a H1232a 3.2561(9) . 2_647 ? H1125a H1233e 3.9604(7) . 2_647 ? H1125a H1234a 3.8488(8) . 2_647 ? H1125a H2124e 3.8865(12) . 2_747 ? H1125a H2223e 3.9146(11) . 1_545 ? H1125e H1126a 2.4545(4) . . ? H1125e H1126e 2.4627(5) . . ? H1125e H1211 3.2785(9) . 2_647 ? H1125e H1215a 3.4248(7) . 2_647 ? H1125e H1216e 3.4338(11) . 2_647 ? H1125e H1232a 2.6042(5) . 2_647 ? H1125e H1232e 3.9247(7) . 2_647 ? H1125e H1234a 3.6997(6) . 2_647 ? H1125e H1236a 3.9945(11) . 2_647 ? H1125e H2123a 3.8910(11) . 2_747 ? H1125e H2124e 3.5269(14) . 2_747 ? H1125e H2125a 2.8448(7) . 2_747 ? H1125e H2125e 3.7043(8) . 2_747 ? H1126a H1126e 1.5513(4) . . ? H1126a H1214e 3.8017(9) . 2_647 ? H1126a H1215a 3.6275(12) . 2_647 ? H1126a H1232e 3.7421(10) . . ? H1126a H2124e 3.8371(11) . 2_747 ? H1126a H2125a 3.7063(9) . 2_747 ? H1126a H2125e 3.4966(9) . 2_747 ? H1126e H2124a 3.9642(11) . 2_747 ? H1126e H2124e 2.6663(7) . 2_747 ? H1126e H2125a 3.3693(11) . 2_747 ? H1126e H2125e 3.2317(9) . 2_747 ? H1131 H1132a 2.8674(10) . . ? H1131 H1132e 2.4429(5) . . ? H1131 H1133a 2.4278(7) . . ? H1131 H1133e 3.5267(9) . . ? H1131 H1134a 3.6107(9) . . ? H1131 H1134e 3.8221(12) . . ? H1131 H1135a 2.2922(6) . . ? H1131 H1135e 3.3757(7) . . ? H1131 H1136a 2.7616(7) . . ? H1131 H1136e 2.2773(4) . . ? H1131 H1222a 2.3974(4) . . ? H1131 H1222e 3.0750(9) . . ? H1131 H1223e 3.8729(9) . . ? H1132a H1132e 1.5511(3) . . ? H1132a H1133a 2.8728(9) . . ? H1132a H1133e 2.4516(6) . . ? H1132a H1134a 2.3507(6) . . ? H1132a H1134e 3.4719(9) . . ? H1132a H1135a 3.6536(10) . . ? H1132a H1135e 3.8376(7) . . ? H1132a H1136a 2.3245(5) . . ? H1132a H1136e 3.4312(6) . . ? H1132a H2112a 3.2565(7) . . ? H1132a H2112e 3.8509(7) . . ? H1132a H2113e 2.5693(8) . . ? H1132a H2114a 3.7639(15) . . ? H1132a H2214a 3.5688(6) . 1_545 ? H1132e H1133a 2.4315(6) . . ? H1132e H1133e 2.3987(8) . . ? H1132e H1134a 3.2836(6) . . ? H1132e H1134e 3.8373(9) . . ? H1132e H1135a 3.7433(6) . . ? H1132e H1136a 3.4047(7) . . ? H1132e H1136e 3.9937(8) . . ? H1132e H1222a 2.9328(12) . . ? H1132e H1224a 3.6485(9) . . ? H1132e H1226a 3.4721(7) . . ? H1132e H2112a 3.5330(13) . . ? H1132e H2112e 3.8995(11) . . ? H1132e H2113e 3.5686(12) . . ? H1132e H2232a 3.7317(6) . . ? H1133a H1133e 1.5515(5) . . ? H1133a H1134a 2.5030(7) . . ? H1133a H1134e 1.9842(4) . . ? H1133a H1135a 2.0194(4) . . ? H1133a H1135e 3.0518(6) . . ? H1133a H1136a 3.5102(6) . . ? H1133a H1136e 3.7077(7) . . ? H1133a H1222a 2.7412(6) . . ? H1133a H1222e 3.8655(10) . . ? H1133a H1223e 3.0016(11) . . ? H1133a H1224a 2.7459(5) . . ? H1133a H1224e 3.9244(8) . . ? H1133a H2225a 3.8583(13) . 2_646 ? H1133a H2225e 3.4911(10) . 2_646 ? H1133a H2226e 3.5675(9) . 2_646 ? H1133a H2233e 3.5703(6) . . ? H1133e H1134a 1.9945(4) . . ? H1133e H1134e 1.9236(3) . . ? H1133e H1135a 3.1811(6) . . ? H1133e H1135e 3.6227(7) . . ? H1133e H1136a 3.7285(7) . . ? H1133e H1222a 3.8981(10) . . ? H1133e H1224a 3.3157(9) . . ? H1133e H2113e 3.3594(13) . . ? H1133e H2134a 3.5697(8) . 2_746 ? H1133e H2134e 3.1389(9) . 2_746 ? H1133e H2225a 3.7684(10) . 2_646 ? H1133e H2225e 3.3335(8) . 2_646 ? H1133e H2232a 3.6512(7) . . ? H1133e H2233e 2.7617(5) . . ? H1133e H2234a 3.2681(6) . . ? H1134a H1134e 1.5513(4) . . ? H1134a H1135a 2.7221(10) . . ? H1134a H1135e 2.2622(5) . . ? H1134a H1136a 2.3795(7) . . ? H1134a H1136e 3.4199(8) . . ? H1134a H1224e 3.9617(7) . 2_646 ? H1134a H1225a 3.9689(10) . 2_646 ? H1134a H2113e 3.2624(9) . . ? H1134a H2133e 3.9971(9) . 2_746 ? H1134a H2134a 2.9757(9) . 2_746 ? H1134a H2134e 3.4825(9) . 2_746 ? H1134a H2214a 2.6070(8) . 1_545 ? H1134a H2215e 3.0264(5) . 1_545 ? H1134a H2216a 3.6509(7) . 1_545 ? H1134e H1135a 2.2633(5) . . ? H1134e H1135e 2.2121(4) . . ? H1134e H1136a 3.4798(9) . . ? H1134e H1136e 3.9911(11) . . ? H1134e H1224e 3.3817(6) . 2_646 ? H1134e H1225a 3.0817(8) . 2_646 ? H1134e H1225e 3.0230(6) . 2_646 ? H1134e H2134a 2.9218(8) . 2_746 ? H1134e H2134e 3.0847(6) . 2_746 ? H1134e H2214a 3.9600(13) . 1_545 ? H1134e H2215e 3.6460(9) . 1_545 ? H1134e H2225a 2.9838(7) . 2_646 ? H1134e H2225e 3.3826(6) . 2_646 ? H1134e H2226e 3.5058(11) . 2_646 ? H1135a H1135e 1.5513(3) . . ? H1135a H1136a 2.8392(9) . . ? H1135a H1136e 2.3982(5) . . ? H1135a H1222a 3.6629(6) . . ? H1135a H1223e 3.5773(7) . . ? H1135a H1224e 3.6562(7) . 2_646 ? H1135a H1225e 3.9219(13) . 2_646 ? H1135a H2224a 3.3005(6) . 1_545 ? H1135a H2226e 3.8877(8) . 2_646 ? H1135a H2233a 3.0991(10) . 2_646 ? H1135e H1136a 2.4067(6) . . ? H1135e H1136e 2.3687(8) . . ? H1135e H1224a 3.8313(9) . 2_646 ? H1135e H1224e 2.5547(6) . 2_646 ? H1135e H1225a 3.7492(13) . 2_646 ? H1135e H1225e 3.5722(11) . 2_646 ? H1135e H2214a 3.8889(16) . 1_545 ? H1135e H2215e 3.6231(11) . 1_545 ? H1135e H2216a 2.9250(6) . 1_545 ? H1135e H2222a 3.8750(7) . 1_545 ? H1135e H2224a 3.1379(6) . 1_545 ? H1135e H2225e 3.5673(7) . 1_545 ? H1135e H2226a 2.8399(6) . 1_545 ? H1135e H2233a 3.7306(15) . 2_646 ? H1136a H1136e 1.5513(5) . . ? H1136a H2212a 3.1381(6) . 1_545 ? H1136a H2213e 3.4817(13) . 1_545 ? H1136a H2214a 3.1466(9) . 1_545 ? H1136a H2216a 3.7403(8) . 1_545 ? H1136a H2222a 3.4251(7) . 1_545 ? H1136e H2212a 3.8688(11) . 1_545 ? H1136e H2222a 2.8687(6) . 1_545 ? H1136e H2223e 3.1053(5) . 1_545 ? H1136e H2224a 2.8174(6) . 1_545 ? H1136e H2226a 3.8860(7) . 1_545 ? H1211 H1212a 2.7803(6) . . ? H1211 H1212e 2.2562(8) . . ? H1211 H1213a 3.1722(5) . . ? H1211 H1213e 3.8173(7) . . ? H1211 H1214e 3.7759(7) . . ? H1211 H1215a 3.1350(6) . . ? H1211 H1215e 3.7039(7) . . ? H1211 H1216a 2.5288(5) . . ? H1211 H1216e 1.8629(5) . . ? H1211 H1221 3.6511(11) . . ? H1211 H1226e 3.8498(12) . . ? H1211 H1231 3.1831(6) . . ? H1211 H1232a 2.2802(4) . . ? H1211 H1232e 2.8102(5) . . ? H1211 H1236a 2.8740(7) . . ? H1211 H1236e 3.6173(6) . . ? H1212a H1212e 1.5513(4) . . ? H1212a H1213a 2.6570(8) . . ? H1212a H1213e 2.0655(4) . . ? H1212a H1214a 3.2345(6) . . ? H1212a H1214e 3.7830(7) . . ? H1212a H1215e 3.8758(12) . . ? H1212a H1216a 2.9947(12) . . ? H1212a H1216e 3.6898(14) . . ? H1212a H1226a 3.3368(9) . . ? H1212a H1226e 2.8293(8) . . ? H1212a H2222e 3.4613(6) . . ? H1212a H2223a 3.1300(6) . . ? H1212e H1213a 2.0687(3) . . ? H1212e H1213e 2.4316(5) . . ? H1212e H1214a 3.8432(7) . . ? H1212e H1214e 3.7581(7) . . ? H1212e H1216a 3.6999(11) . . ? H1212e H1216e 3.7562(15) . . ? H1212e H1232e 3.9110(7) . . ? H1212e H1233e 3.6275(7) . 2_657 ? H1213a H1213e 1.5512(4) . . ? H1213a H1214a 2.6723(5) . . ? H1213a H1214e 2.1108(6) . . ? H1213a H1215a 3.3232(13) . . ? H1213a H1215e 3.7996(10) . . ? H1213a H1216e 3.9905(11) . . ? H1213a H1232a 3.8717(7) . 2_657 ? H1213a H1232e 3.4301(7) . 2_657 ? H1213a H1233a 3.0393(10) . 2_657 ? H1213a H1233e 1.9915(5) . 2_657 ? H1213a H1234a 3.8999(9) . 2_657 ? H1213a H1234e 3.6143(10) . 2_657 ? H1213e H1214a 2.1075(7) . . ? H1213e H1214e 2.5345(8) . . ? H1213e H1215a 3.8026(15) . . ? H1213e H1215e 3.6252(14) . . ? H1213e H1216a 3.9090(10) . . ? H1213e H1233e 2.8337(9) . 2_657 ? H1213e H2222e 3.6725(11) . . ? H1213e H2223a 3.2758(10) . . ? H1213e H2223e 3.5857(8) . . ? H1214a H1214e 1.5513(5) . . ? H1214a H1215a 2.4779(6) . . ? H1214a H1215e 1.8731(6) . . ? H1214a H1216a 3.1628(5) . . ? H1214a H1216e 3.6943(7) . . ? H1214a H2223a 3.0285(9) . . ? H1214a H2223e 3.2281(7) . . ? H1214e H1215a 1.8758(5) . . ? H1214e H1215e 2.3720(6) . . ? H1214e H1216a 3.6755(8) . . ? H1214e H1216e 3.5365(6) . . ? H1214e H1232a 3.8483(8) . 2_657 ? H1214e H1232e 3.0908(9) . 2_657 ? H1214e H1233e 3.2600(10) . 2_657 ? H1215a H1215e 1.5515(4) . . ? H1215a H1216a 2.6630(7) . . ? H1215a H1216e 2.0914(4) . . ? H1215a H2125a 2.7501(7) . 1_455 ? H1215a H2125e 2.9712(11) . 1_455 ? H1215a H2126e 3.0888(10) . 1_455 ? H1215a H2136e 3.9233(11) . 1_455 ? H1215e H1216a 2.0866(4) . . ? H1215e H1216e 2.5000(5) . . ? H1215e H2125a 3.8154(7) . 1_455 ? H1215e H2125e 3.9592(11) . 1_455 ? H1215e H2126e 3.1397(11) . 1_455 ? H1215e H2135a 3.0061(9) . 1_455 ? H1215e H2135e 3.3964(11) . 1_455 ? H1215e H2136e 3.2344(6) . 1_455 ? H1215e H2223a 3.6512(10) . . ? H1216a H1216e 1.5512(4) . . ? H1216a H1221 2.5961(5) . . ? H1216a H1225a 3.8725(13) . . ? H1216a H1226a 3.7893(9) . . ? H1216a H1226e 2.4528(6) . . ? H1216a H1236a 3.5854(6) . . ? H1216a H2121 3.8951(14) . 1_455 ? H1216a H2126e 3.6726(13) . 1_455 ? H1216a H2135a 3.2947(6) . 1_455 ? H1216a H2135e 2.7553(7) . 1_455 ? H1216a H2136a 3.6060(9) . 1_455 ? H1216a H2136e 2.4514(8) . 1_455 ? H1216a H2223a 3.5986(7) . . ? H1216e H1221 3.2669(9) . . ? H1216e H1226e 3.7962(10) . . ? H1216e H1232a 3.1721(5) . . ? H1216e H1236a 2.6039(5) . . ? H1216e H1236e 3.6010(7) . . ? H1216e H2121 3.1254(12) . 1_455 ? H1216e H2125a 2.7291(8) . 1_455 ? H1216e H2125e 3.8266(9) . 1_455 ? H1216e H2126e 3.1859(10) . 1_455 ? H1216e H2136e 2.9073(7) . 1_455 ? H1221 H1222a 2.8006(6) . . ? H1221 H1222e 2.3670(5) . . ? H1221 H1223a 2.5690(7) . . ? H1221 H1223e 3.5825(8) . . ? H1221 H1224a 3.6398(9) . . ? H1221 H1224e 3.8423(12) . . ? H1221 H1225a 2.5321(6) . . ? H1221 H1225e 3.5048(7) . . ? H1221 H1226a 2.7087(10) . . ? H1221 H1226e 2.2179(5) . . ? H1221 H1231 3.5935(7) . . ? H1221 H1236a 3.2346(8) . . ? H1221 H1236e 2.5822(4) . . ? H1221 H2116e 3.0323(12) . 1_455 ? H1221 H2135e 3.2886(6) . 1_455 ? H1221 H2136a 3.0584(8) . 1_455 ? H1221 H2136e 2.9548(7) . 1_455 ? H1222a H1222e 1.5512(5) . . ? H1222a H1223a 2.9444(9) . . ? H1222a H1223e 2.5000(6) . . ? H1222a H1224a 2.4538(6) . . ? H1222a H1224e 3.5651(9) . . ? H1222a H1225a 3.7998(6) . . ? H1222a H1225e 3.8497(7) . . ? H1222a H1226a 2.3362(5) . . ? H1222a H1226e 3.4181(7) . . ? H1222a H1231 3.5530(10) . . ? H1222a H1236e 3.5804(10) . . ? H1222e H1223a 2.5081(6) . . ? H1222e H1223e 2.5201(9) . . ? H1222e H1224a 3.5020(8) . . ? H1222e H1226a 3.3891(7) . . ? H1222e H1226e 3.9305(8) . . ? H1222e H1231 2.7244(9) . . ? H1222e H1235a 3.8047(8) . . ? H1222e H1236a 3.6818(9) . . ? H1222e H1236e 2.2395(6) . . ? H1222e H2115e 3.6574(14) . 1_455 ? H1222e H2116e 3.9757(13) . 1_455 ? H1223a H1223e 1.5512(3) . . ? H1223a H1224a 2.8063(10) . . ? H1223a H1224e 2.3422(5) . . ? H1223a H1225a 2.6524(5) . . ? H1223a H1225e 3.6327(7) . . ? H1223a H1226a 3.8295(10) . . ? H1223a H1236e 3.7883(12) . . ? H1223a H2115a 3.0117(11) . 1_455 ? H1223a H2115e 3.3576(8) . 1_455 ? H1223a H2116e 3.3759(9) . 1_455 ? H1223a H2136a 3.6264(6) . 1_455 ? H1223a H2215a 3.5861(11) . 2_646 ? H1223a H2215e 3.1916(6) . 2_646 ? H1223a H2216a 2.8967(9) . 2_646 ? H1223a H2216e 2.6930(7) . 2_646 ? H1223a H2226a 3.6204(11) . 2_646 ? H1223a H2231 3.5178(6) . 2_646 ? H1223e H1224a 2.3203(5) . . ? H1223e H1224e 2.3468(4) . . ? H1223e H1225a 3.6026(7) . . ? H1223e H1226a 3.9687(7) . . ? H1223e H2216a 3.2328(7) . 2_646 ? H1223e H2216e 3.1717(10) . 2_646 ? H1223e H2225e 3.9228(10) . 2_646 ? H1223e H2226a 2.9217(10) . 2_646 ? H1223e H2226e 2.8582(8) . 2_646 ? H1223e H2231 2.8260(5) . 2_646 ? H1223e H2233a 3.8913(8) . 2_646 ? H1224a H1224e 1.5514(4) . . ? H1224a H1225a 2.7284(6) . . ? H1224a H1225e 2.2164(4) . . ? H1224a H1226a 2.4780(7) . . ? H1224a H1226e 3.4772(8) . . ? H1224a H2225e 3.2528(10) . 2_646 ? H1224a H2226a 3.2822(8) . 2_646 ? H1224a H2226e 3.7712(7) . 2_646 ? H1224a H2232a 3.6729(12) . . ? H1224a H2232e 3.1782(7) . . ? H1224a H2233a 3.8031(8) . . ? H1224a H2233e 2.8710(8) . . ? H1224e H1225a 2.2294(4) . . ? H1224e H1225e 2.2537(4) . . ? H1224e H1226a 3.5316(10) . . ? H1224e H1226e 3.9853(11) . . ? H1224e H2215e 3.4752(13) . 2_646 ? H1224e H2216a 2.6925(8) . 2_646 ? H1224e H2216e 3.6346(12) . 2_646 ? H1224e H2225e 3.2107(7) . 2_646 ? H1224e H2226a 2.4250(5) . 2_646 ? H1224e H2226e 3.4457(6) . 2_646 ? H1224e H2232e 3.8255(11) . . ? H1224e H2233e 3.5522(13) . . ? H1225a H1225e 1.5512(6) . . ? H1225a H1226a 2.8397(8) . . ? H1225a H1226e 2.3589(6) . . ? H1225a H2134a 2.9005(8) . 1_455 ? H1225a H2134e 3.6491(7) . 1_455 ? H1225a H2135a 3.9840(7) . 1_455 ? H1225a H2135e 2.4820(4) . 1_455 ? H1225a H2136a 2.9918(10) . 1_455 ? H1225a H2136e 3.6840(9) . 1_455 ? H1225a H2215e 3.3521(10) . 2_646 ? H1225a H2216a 3.9089(8) . 2_646 ? H1225a H2225a 3.1674(6) . . ? H1225e H1226a 2.3528(5) . . ? H1225e H1226e 2.4001(8) . . ? H1225e H2135e 3.3979(8) . 1_455 ? H1225e H2221 3.1883(7) . . ? H1225e H2225a 2.6535(5) . . ? H1225e H2226e 3.0783(5) . . ? H1225e H2232a 3.7288(15) . . ? H1225e H2232e 2.5071(9) . . ? H1225e H2233a 3.8730(10) . . ? H1225e H2233e 3.7258(8) . . ? H1226a H1226e 1.5511(3) . . ? H1226a H2221 3.5278(6) . . ? H1226a H2232a 3.7230(10) . . ? H1226a H2232e 3.3738(8) . . ? H1226e H2135e 2.8172(7) . 1_455 ? H1226e H2136e 3.8257(15) . 1_455 ? H1226e H2221 3.4678(8) . . ? H1226e H2222e 3.9546(9) . . ? H1226e H2223a 2.9836(6) . . ? H1226e H2225a 3.4496(6) . . ? H1231 H1232a 2.6074(6) . . ? H1231 H1232e 2.0305(6) . . ? H1231 H1233a 2.3917(4) . . ? H1231 H1233e 3.3591(9) . . ? H1231 H1234a 3.5570(10) . . ? H1231 H1234e 3.8648(10) . . ? H1231 H1235a 2.8209(9) . . ? H1231 H1235e 3.5248(14) . . ? H1231 H1236a 2.3991(7) . . ? H1231 H1236e 1.8804(5) . . ? H1232a H1232e 1.5514(4) . . ? H1232a H1233a 2.9044(6) . . ? H1232a H1233e 2.4552(4) . . ? H1232a H1234a 2.4261(7) . . ? H1232a H1234e 3.5344(7) . . ? H1232a H1235a 3.9797(7) . . ? H1232a H1235e 3.8720(9) . . ? H1232a H1236a 2.3083(6) . . ? H1232a H1236e 3.3446(10) . . ? H1232a H2125a 3.9873(9) . 1_455 ? H1232e H1233a 2.4473(5) . . ? H1232e H1233e 2.4465(5) . . ? H1232e H1234a 3.3511(13) . . ? H1232e H1234e 3.9003(12) . . ? H1232e H1236a 3.1750(9) . . ? H1232e H1236e 3.5655(9) . . ? H1233a H1233e 1.5512(4) . . ? H1233a H1234a 2.5318(6) . . ? H1233a H1234e 2.0214(8) . . ? H1233a H1235a 2.3249(6) . . ? H1233a H1235e 3.2458(9) . . ? H1233a H1236a 3.3470(6) . . ? H1233a H1236e 3.3630(7) . . ? H1233e H1234a 2.0297(5) . . ? H1233e H1234e 1.9603(6) . . ? H1233e H1235a 3.4360(10) . . ? H1233e H1235e 3.7977(10) . . ? H1233e H1236a 3.6677(8) . . ? H1234a H1234e 1.5514(3) . . ? H1234a H1235a 2.8397(7) . . ? H1234a H1235e 2.3261(7) . . ? H1234a H1236a 2.4932(6) . . ? H1234a H1236e 3.5011(10) . . ? H1234a H2123a 2.8710(6) . 1_455 ? H1234a H2123e 3.9929(12) . 1_455 ? H1234e H1235a 2.3432(8) . . ? H1234e H1235e 2.4629(6) . . ? H1234e H1236a 3.5095(6) . . ? H1234e H1236e 3.9642(9) . . ? H1235a H1235e 1.5512(3) . . ? H1235a H1236a 2.8202(6) . . ? H1235a H1236e 2.3132(4) . . ? H1235a H2115e 3.3810(9) . 1_455 ? H1235a H2116a 3.6190(7) . 1_455 ? H1235e H1236a 2.2653(5) . . ? H1235e H1236e 2.4250(7) . . ? H1235e H2114a 3.7194(9) . 1_455 ? H1235e H2115e 3.2005(11) . 1_455 ? H1235e H2116a 2.4489(5) . 1_455 ? H1235e H2116e 3.4060(7) . 1_455 ? H1235e H2121 3.7137(7) . 1_455 ? H1235e H2122e 3.6649(9) . 1_455 ? H1235e H2123a 3.3199(6) . 1_455 ? H1236a H1236e 1.5514(4) . . ? H1236a H2116a 3.2526(9) . 1_455 ? H1236a H2116e 3.2923(9) . 1_455 ? H1236a H2121 3.0969(8) . 1_455 ? H1236a H2123a 3.3672(10) . 1_455 ? H1236a H2125a 3.5984(6) . 1_455 ? H1236a H2136e 3.9476(7) . 1_455 ? H1236e H2115e 3.1960(8) . 1_455 ? H1236e H2116a 3.2391(12) . 1_455 ? H1236e H2116e 2.9928(7) . 1_455 ? H2111 H2112a 2.7217(7) . . ? H2111 H2112e 2.2558(9) . . ? H2111 H2113a 2.4745(4) . . ? H2111 H2113e 3.4310(7) . . ? H2111 H2114a 3.4980(7) . . ? H2111 H2114e 3.6541(7) . . ? H2111 H2115a 2.2190(4) . . ? H2111 H2115e 3.2165(6) . . ? H2111 H2116a 2.5871(6) . . ? H2111 H2116e 2.0473(5) . . ? H2111 H2121 3.7439(11) . . ? H2111 H2132a 2.5743(5) . . ? H2111 H2132e 3.4351(7) . . ? H2111 H2136a 2.7435(7) . . ? H2111 H2136e 3.6274(7) . . ? H2111 H2214e 3.8557(12) . 2_746 ? H2111 H2215a 2.5459(8) . 2_746 ? H2111 H2215e 3.4619(9) . 2_746 ? H2111 H2236a 3.5100(8) . . ? H2112a H2112e 1.5513(4) . . ? H2112a H2113a 2.8776(8) . . ? H2112a H2113e 2.3749(5) . . ? H2112a H2114a 2.7746(5) . . ? H2112a H2114e 3.7423(6) . . ? H2112a H2115a 3.8942(11) . . ? H2112a H2116a 2.7755(10) . . ? H2112a H2116e 3.6598(15) . . ? H2112a H2122a 3.5336(9) . . ? H2112a H2122e 2.6981(8) . . ? H2112e H2113a 2.3646(4) . . ? H2112e H2113e 2.4962(5) . . ? H2112e H2114a 3.6537(6) . . ? H2112e H2115a 3.8637(12) . . ? H2112e H2116a 3.6530(10) . . ? H2112e H2116e 3.9538(15) . . ? H2112e H2122e 3.9090(12) . . ? H2112e H2132a 3.8192(8) . . ? H2112e H2132e 3.8408(7) . . ? H2112e H2232a 2.9781(9) . . ? H2112e H2234a 3.2245(9) . . ? H2112e H2236a 2.6041(5) . . ? H2113a H2113e 1.5514(3) . . ? H2113a H2114a 2.7091(6) . . ? H2113a H2114e 2.1825(4) . . ? H2113a H2115a 2.4767(9) . . ? H2113a H2115e 3.4702(10) . . ? H2113a H2116a 3.8276(10) . . ? H2113a H2116e 3.9359(10) . . ? H2113a H2133a 3.8350(12) . 2_746 ? H2113a H2133e 2.5808(7) . 2_746 ? H2113a H2215a 2.9518(7) . 2_746 ? H2113a H2216e 3.9258(13) . 2_746 ? H2113a H2234a 3.3055(8) . . ? H2113a H2236a 3.8390(7) . . ? H2113a H2236e 3.7707(7) . 2_746 ? H2113e H2114a 2.1881(6) . . ? H2113e H2114e 2.2459(7) . . ? H2113e H2115a 3.4927(13) . . ? H2113e H2115e 3.9247(15) . . ? H2113e H2116a 3.9514(10) . . ? H2113e H2133e 3.1231(11) . 2_746 ? H2113e H2213e 3.9739(8) . 1_545 ? H2113e H2214a 3.1358(6) . 1_545 ? H2113e H2214e 3.8457(7) . 1_545 ? H2113e H2234a 3.6524(7) . . ? H2114a H2114e 1.5514(5) . . ? H2114a H2115a 2.7783(6) . . ? H2114a H2115e 2.2894(9) . . ? H2114a H2116a 2.6022(4) . . ? H2114a H2116e 3.5808(7) . . ? H2114a H2213e 3.2631(6) . 1_545 ? H2114a H2214a 3.5803(6) . 1_545 ? H2114a H2214e 3.8235(7) . 1_545 ? H2114e H2115a 2.2883(5) . . ? H2114e H2115e 2.3120(6) . . ? H2114e H2116a 3.6034(7) . . ? H2114e H2133e 3.5959(9) . 2_746 ? H2114e H2213a 3.7751(8) . 1_545 ? H2114e H2213e 3.2929(6) . 1_545 ? H2114e H2214a 3.0865(8) . 1_545 ? H2114e H2214e 2.8438(5) . 1_545 ? H2114e H2216e 3.9962(8) . 2_746 ? H2114e H2235a 3.0176(9) . 2_746 ? H2114e H2235e 2.9930(5) . 2_746 ? H2114e H2236e 2.8465(8) . 2_746 ? H2115a H2115e 1.5513(3) . . ? H2115a H2116a 2.8048(9) . . ? H2115a H2116e 2.3027(5) . . ? H2115a H2136a 3.7740(7) . . ? H2115a H2211 3.8329(13) . 2_746 ? H2115a H2215a 2.4719(5) . 2_746 ? H2115a H2215e 3.4627(6) . 2_746 ? H2115a H2216a 3.8856(10) . 2_746 ? H2115a H2216e 2.5829(7) . 2_746 ? H2115a H2235a 3.5265(7) . 2_746 ? H2115a H2236e 3.2558(7) . 2_746 ? H2115e H2116a 2.3070(4) . . ? H2115e H2116e 2.3706(5) . . ? H2115e H2216e 3.7185(11) . 2_746 ? H2115e H2235a 3.0190(5) . 2_746 ? H2115e H2235e 3.9713(7) . 2_746 ? H2115e H2236e 3.7712(11) . 2_746 ? H2116a H2116e 1.5514(3) . . ? H2116a H2121 2.6172(5) . . ? H2116a H2122a 3.9990(8) . . ? H2116a H2122e 2.6255(6) . . ? H2116a H2123a 3.7110(12) . . ? H2116a H2136a 3.8665(6) . . ? H2116a H2136e 3.8518(7) . . ? H2116e H2121 2.7246(7) . . ? H2116e H2122e 3.7527(10) . . ? H2116e H2132a 3.7409(6) . . ? H2116e H2136a 2.4583(4) . . ? H2116e H2136e 2.7320(5) . . ? H2116e H2215a 3.7080(12) . 2_746 ? H2121 H2122a 2.8456(10) . . ? H2121 H2122e 2.3888(7) . . ? H2121 H2123a 2.5483(7) . . ? H2121 H2123e 3.5871(8) . . ? H2121 H2124a 3.7346(9) . . ? H2121 H2124e 3.9793(13) . . ? H2121 H2125a 2.4933(7) . . ? H2121 H2125e 3.4460(8) . . ? H2121 H2126a 2.6385(5) . . ? H2121 H2126e 2.0788(4) . . ? H2121 H2131 3.3228(6) . . ? H2121 H2136a 3.5554(10) . . ? H2121 H2136e 2.5856(5) . . ? H2122a H2122e 1.5513(3) . . ? H2122a H2123a 2.8379(7) . . ? H2122a H2123e 2.3694(5) . . ? H2122a H2124a 2.5597(6) . . ? H2122a H2124e 3.5997(9) . . ? H2122a H2125a 3.7827(13) . . ? H2122a H2125e 3.9685(9) . . ? H2122a H2126a 2.5797(5) . . ? H2122a H2126e 3.5805(10) . . ? H2122e H2123a 2.3655(6) . . ? H2122e H2123e 2.3870(8) . . ? H2122e H2124a 3.5780(8) . . ? H2122e H2125a 3.9033(9) . . ? H2122e H2126a 3.5273(7) . . ? H2122e H2126e 3.9646(8) . . ? H2123a H2123e 1.5512(5) . . ? H2123a H2124a 2.8093(5) . . ? H2123a H2124e 2.3541(5) . . ? H2123a H2125a 2.3430(4) . . ? H2123a H2125e 3.4289(7) . . ? H2123a H2126a 3.7238(7) . . ? H2123a H2126e 3.8073(7) . . ? H2123e H2124a 2.3598(5) . . ? H2123e H2124e 2.3315(4) . . ? H2123e H2125a 3.3999(9) . . ? H2123e H2125e 3.9513(7) . . ? H2123e H2126a 3.9750(7) . . ? H2124a H2124e 1.5512(4) . . ? H2124a H2125a 2.7383(10) . . ? H2124a H2125e 2.2562(7) . . ? H2124a H2126a 2.5485(7) . . ? H2124a H2126e 3.5356(9) . . ? H2124e H2125a 2.2484(6) . . ? H2124e H2125e 2.2608(4) . . ? H2124e H2126a 3.5843(9) . . ? H2125a H2125e 1.5513(3) . . ? H2125a H2126a 2.8386(7) . . ? H2125a H2126e 2.3612(5) . . ? H2125e H2126a 2.3596(6) . . ? H2125e H2126e 2.3823(8) . . ? H2126a H2126e 1.5512(6) . . ? H2126a H2131 2.9214(9) . . ? H2126a H2136e 3.9021(10) . . ? H2126e H2131 2.3405(7) . . ? H2126e H2135a 3.5671(8) . . ? H2126e H2136a 3.9049(11) . . ? H2126e H2136e 2.5939(6) . . ? H2131 H2132a 2.9112(8) . . ? H2131 H2132e 2.5381(7) . . ? H2131 H2133a 2.6222(6) . . ? H2131 H2133e 3.6862(12) . . ? H2131 H2134a 3.7727(10) . . ? H2131 H2134e 3.9651(10) . . ? H2131 H2135a 2.4406(9) . . ? H2131 H2135e 3.5077(13) . . ? H2131 H2136a 2.8086(5) . . ? H2131 H2136e 2.3642(6) . . ? H2131 H2212e 3.2798(8) . . ? H2132a H2132e 1.5512(4) . . ? H2132a H2133a 2.8463(6) . . ? H2132a H2133e 2.4108(4) . . ? H2132a H2134a 2.3265(8) . . ? H2132a H2134e 3.4352(9) . . ? H2132a H2135a 3.7016(8) . . ? H2132a H2135e 3.8358(13) . . ? H2132a H2136a 2.1692(6) . . ? H2132a H2136e 3.3420(9) . . ? H2132a H2214a 3.6073(11) . 2_746 ? H2132a H2214e 3.0310(9) . 2_746 ? H2132a H2215a 2.9473(5) . 2_746 ? H2132a H2215e 2.8638(6) . 2_746 ? H2132a H2236a 3.1411(12) . . ? H2132a H2236e 3.3986(11) . . ? H2132e H2133a 2.4199(5) . . ? H2132e H2133e 2.3737(5) . . ? H2132e H2134a 3.4173(13) . . ? H2132e H2136a 3.3215(10) . . ? H2132e H2211 2.6119(6) . . ? H2132e H2212e 2.8941(5) . . ? H2132e H2213a 3.7710(8) . . ? H2132e H2214e 3.8897(9) . 2_746 ? H2132e H2236a 2.6582(6) . . ? H2132e H2236e 2.6646(7) . . ? H2133a H2133e 1.5513(5) . . ? H2133a H2134a 2.7945(5) . . ? H2133a H2134e 2.3350(8) . . ? H2133a H2135a 2.6143(7) . . ? H2133a H2135e 3.6168(10) . . ? H2133a H2136a 3.6713(7) . . ? H2133a H2211 3.5144(14) . . ? H2133a H2212e 3.1870(11) . . ? H2133a H2213a 2.6812(6) . . ? H2133a H2234a 3.2367(6) . 2_756 ? H2133a H2234e 3.0748(6) . 2_756 ? H2133a H2235e 3.4304(7) . 2_756 ? H2133e H2134a 2.3210(6) . . ? H2133e H2134e 2.3259(9) . . ? H2133e H2135a 3.6394(10) . . ? H2133e H2136a 3.7999(6) . . ? H2133e H2211 3.5326(13) . . ? H2133e H2213a 3.4637(6) . . ? H2133e H2214a 3.8687(7) . 2_746 ? H2133e H2214e 3.9106(7) . 2_746 ? H2133e H2234a 3.0278(5) . 2_756 ? H2133e H2234e 3.5489(7) . 2_756 ? H2133e H2235e 3.8434(8) . 2_756 ? H2133e H2236e 3.6721(12) . . ? H2134a H2134e 1.5512(3) . . ? H2134a H2135a 2.8500(8) . . ? H2134a H2135e 2.3941(6) . . ? H2134a H2136a 2.2994(5) . . ? H2134a H2136e 3.4290(11) . . ? H2134a H2214a 3.5114(8) . 2_746 ? H2134a H2214e 3.9422(9) . 2_746 ? H2134a H2215a 3.7831(7) . 2_746 ? H2134a H2215e 2.6443(5) . 2_746 ? H2134a H2225a 3.7566(13) . 1_655 ? H2134e H2135a 2.4076(8) . . ? H2134e H2135e 2.3860(5) . . ? H2134e H2136a 3.3880(6) . . ? H2134e H2224e 3.0557(8) . 1_655 ? H2134e H2225a 3.0637(12) . 1_655 ? H2134e H2225e 3.2999(12) . 1_655 ? H2134e H2233e 3.4543(6) . 2_756 ? H2134e H2234a 2.8855(5) . 2_756 ? H2134e H2234e 2.6872(6) . 2_756 ? H2135a H2135e 1.5513(3) . . ? H2135a H2136a 2.7839(5) . . ? H2135a H2136e 2.3566(4) . . ? H2135a H2224e 2.9562(9) . 1_655 ? H2135a H2225a 3.8577(12) . 1_655 ? H2135a H2234e 3.7930(7) . 2_756 ? H2135e H2136a 2.3453(6) . . ? H2135e H2136e 2.2884(5) . . ? H2135e H2223a 3.4329(11) . 1_655 ? H2135e H2224e 2.7924(5) . 1_655 ? H2135e H2225a 2.9124(7) . 1_655 ? H2136a H2136e 1.5513(5) . . ? H2136a H2215a 3.4963(8) . 2_746 ? H2136a H2215e 3.0899(10) . 2_746 ? H2211 H2212a 2.5610(6) . . ? H2211 H2212e 1.9250(6) . . ? H2211 H2213a 2.6735(5) . . ? H2211 H2213e 3.4060(6) . . ? H2211 H2214a 3.6921(8) . . ? H2211 H2214e 3.5593(6) . . ? H2211 H2215a 2.7858(6) . . ? H2211 H2215e 3.4768(6) . . ? H2211 H2216a 2.5562(7) . . ? H2211 H2216e 1.9209(5) . . ? H2211 H2231 3.1844(8) . . ? H2211 H2236a 3.3772(7) . . ? H2211 H2236e 2.5073(5) . . ? H2212a H2212e 1.5513(4) . . ? H2212a H2213a 2.7253(8) . . ? H2212a H2213e 2.1582(4) . . ? H2212a H2214a 3.1612(6) . . ? H2212a H2214e 3.8223(8) . . ? H2212a H2216a 3.1551(9) . . ? H2212a H2216e 3.7594(12) . . ? H2212a H2222a 2.7948(10) . . ? H2212a H2222e 3.7445(9) . . ? H2212e H2213a 2.1503(4) . . ? H2212e H2213e 2.5007(5) . . ? H2212e H2214a 3.7800(7) . . ? H2212e H2214e 3.8102(7) . . ? H2212e H2216a 3.7540(9) . . ? H2212e H2216e 3.7105(10) . . ? H2212e H2222a 3.9250(15) . . ? H2213a H2213e 1.5513(3) . . ? H2213a H2214a 2.5913(6) . . ? H2213a H2214e 1.9730(4) . . ? H2213a H2215a 3.0493(9) . . ? H2213a H2215e 3.7020(9) . . ? H2213a H2216e 3.8895(9) . . ? H2213a H2235a 3.8738(10) . 2_756 ? H2213a H2235e 2.6280(6) . 2_756 ? H2213e H2214a 1.9756(5) . . ? H2213e H2214e 2.3151(7) . . ? H2213e H2215a 3.7319(12) . . ? H2213e H2215e 3.7418(10) . . ? H2213e H2216a 3.9679(10) . . ? H2213e H2235e 3.5157(10) . 2_756 ? H2214a H2214e 1.5512(5) . . ? H2214a H2215a 2.6854(6) . . ? H2214a H2215e 2.0995(5) . . ? H2214a H2216a 3.1036(6) . . ? H2214a H2216e 3.7539(6) . . ? H2214a H2235e 3.7531(15) . 2_756 ? H2214e H2215a 2.1036(4) . . ? H2214e H2215e 2.4443(8) . . ? H2214e H2216a 3.7708(12) . . ? H2214e H2216e 3.7862(7) . . ? H2214e H2235a 3.6659(14) . 2_756 ? H2214e H2235e 2.3529(10) . 2_756 ? H2214e H2236a 3.3492(9) . 2_756 ? H2214e H2236e 3.3706(8) . 2_756 ? H2215a H2215e 1.5513(4) . . ? H2215a H2216a 2.6851(8) . . ? H2215a H2216e 2.1070(4) . . ? H2215a H2235e 3.8205(12) . 2_756 ? H2215a H2236e 3.9725(8) . . ? H2215e H2216a 2.1035(4) . . ? H2215e H2216e 2.4696(5) . . ? H2216a H2216e 1.5513(3) . . ? H2216a H2222a 3.7751(11) . . ? H2216a H2226a 2.3041(7) . . ? H2216a H2226e 3.3801(8) . . ? H2216a H2231 3.1525(6) . . ? H2216e H2226a 3.2999(11) . . ? H2216e H2226e 3.8023(12) . . ? H2216e H2231 2.4710(5) . . ? H2216e H2235a 3.8632(7) . . ? H2216e H2236a 3.9530(7) . . ? H2216e H2236e 2.6574(5) . . ? H2221 H2222a 2.4628(4) . . ? H2221 H2222e 1.7940(5) . . ? H2221 H2223a 2.6515(6) . . ? H2221 H2223e 3.3999(6) . . ? H2221 H2224a 3.7540(7) . . ? H2221 H2224e 3.7767(11) . . ? H2221 H2225a 2.7608(9) . . ? H2221 H2225e 3.6125(8) . . ? H2221 H2226a 2.7708(5) . . ? H2221 H2226e 2.2039(6) . . ? H2221 H2231 3.2626(9) . . ? H2221 H2232a 3.1874(5) . . ? H2221 H2232e 2.4510(5) . . ? H2222a H2222e 1.5514(3) . . ? H2222a H2223a 2.7044(8) . . ? H2222a H2223e 2.1185(7) . . ? H2222a H2224a 2.9848(10) . . ? H2222a H2224e 3.7597(15) . . ? H2222a H2225a 3.8825(10) . . ? H2222a H2225e 3.9944(11) . . ? H2222a H2226a 3.0202(9) . . ? H2222a H2226e 3.6786(9) . . ? H2222e H2223a 2.1251(8) . . ? H2222e H2223e 2.4053(5) . . ? H2222e H2224a 3.7528(8) . . ? H2222e H2224e 3.9231(13) . . ? H2222e H2225a 3.7968(10) . . ? H2222e H2226a 3.7504(11) . . ? H2222e H2226e 3.7721(12) . . ? H2223a H2223e 1.5513(3) . . ? H2223a H2224a 2.7725(5) . . ? H2223a H2224e 2.2139(5) . . ? H2223a H2225a 2.7658(9) . . ? H2223a H2225e 3.6360(10) . . ? H2223a H2226e 3.9301(13) . . ? H2223e H2224a 2.2124(6) . . ? H2223e H2224e 2.4499(7) . . ? H2223e H2225a 3.5501(9) . . ? H2223e H2225e 3.7996(12) . . ? H2224a H2224e 1.5513(3) . . ? H2224a H2225a 2.5763(5) . . ? H2224a H2225e 1.9690(5) . . ? H2224a H2226a 2.8254(7) . . ? H2224a H2226e 3.5807(6) . . ? H2224a H2233a 3.3224(6) . 2_656 ? H2224a H2233e 3.5538(9) . 2_656 ? H2224a H2234e 3.6956(13) . 2_656 ? H2224e H2225a 1.9614(4) . . ? H2224e H2225e 2.1738(7) . . ? H2224e H2226a 3.6409(10) . . ? H2224e H2226e 3.7655(9) . . ? H2224e H2233a 3.9115(7) . 2_656 ? H2224e H2233e 3.8041(10) . 2_656 ? H2224e H2234e 3.3589(8) . 2_656 ? H2225a H2225e 1.5513(3) . . ? H2225a H2226a 2.7030(7) . . ? H2225a H2226e 2.1178(6) . . ? H2225a H2232e 3.6669(8) . . ? H2225a H2233e 3.7929(6) . 2_656 ? H2225e H2226a 2.1283(8) . . ? H2225e H2226e 2.3736(6) . . ? H2225e H2233a 3.1672(6) . 2_656 ? H2225e H2233e 2.4951(5) . 2_656 ? H2225e H2234e 3.4845(11) . 2_656 ? H2226a H2226e 1.5514(3) . . ? H2226a H2231 3.0779(5) . . ? H2226a H2232e 3.7815(8) . . ? H2226e H2231 2.4290(7) . . ? H2226e H2232a 3.7679(7) . . ? H2226e H2232e 2.4137(5) . . ? H2226e H2233a 3.6702(6) . . ? H2231 H2232a 2.7706(5) . . ? H2231 H2232e 2.2788(4) . . ? H2231 H2233a 2.6507(4) . . ? H2231 H2233e 3.6099(7) . . ? H2231 H2234a 3.8086(7) . . ? H2231 H2234e 3.9049(7) . . ? H2231 H2235a 2.7221(6) . . ? H2231 H2235e 3.6962(8) . . ? H2231 H2236a 2.8614(8) . . ? H2231 H2236e 2.3894(9) . . ? H2232a H2232e 1.5513(4) . . ? H2232a H2233a 2.8219(8) . . ? H2232a H2233e 2.3194(5) . . ? H2232a H2234a 2.6305(6) . . ? H2232a H2234e 3.6078(11) . . ? H2232a H2235a 3.8721(11) . . ? H2232a H2235e 3.9515(10) . . ? H2232a H2236a 2.5535(8) . . ? H2232a H2236e 3.5535(7) . . ? H2232e H2233a 2.3215(7) . . ? H2232e H2233e 2.3904(4) . . ? H2232e H2234a 3.5801(7) . . ? H2232e H2234e 3.9971(9) . . ? H2232e H2236a 3.5931(14) . . ? H2233a H2233e 1.5514(3) . . ? H2233a H2234a 2.7308(8) . . ? H2233a H2234e 2.1989(5) . . ? H2233a H2235a 2.7455(9) . . ? H2233a H2235e 3.6466(14) . . ? H2233a H2236a 3.8621(13) . . ? H2233e H2234a 2.1893(9) . . ? H2233e H2234e 2.2930(6) . . ? H2233e H2235a 3.6509(7) . . ? H2233e H2235e 3.9726(13) . . ? H2233e H2236a 3.9221(12) . . ? H2234a H2234e 1.5513(4) . . ? H2234a H2235a 2.7459(5) . . ? H2234a H2235e 2.2100(4) . . ? H2234a H2236a 2.6028(4) . . ? H2234a H2236e 3.5648(7) . . ? H2234e H2235a 2.2217(4) . . ? H2234e H2235e 2.3100(7) . . ? H2234e H2236a 3.5888(7) . . ? H2234e H2236e 3.9912(7) . . ? H2235a H2235e 1.5514(4) . . ? H2235a H2236a 2.8155(8) . . ? H2235a H2236e 2.3118(5) . . ? H2235e H2236a 2.3091(7) . . ? H2235e H2236e 2.3927(4) . . ? H2236a H2236e 1.5513(3) . . ? loop_ _geom_angle_atom_site_label_1 #ActaC _geom_angle_atom_site_label_2 #ActaC _geom_angle_atom_site_label_3 #ActaC _geom_angle #ActaC _geom_angle_site_symmetry_1 #ActaC _geom_angle_site_symmetry_2 #ActaC _geom_angle_site_symmetry_3 #ActaC _geom_angle_publ_flag #ActaC C Ag1 N11 94.6(16) . . . ? C Ag1 As11 108.0(13) . . . ? C Ag1 As12 107.9(18) . . . ? N11 Ag1 As11 107.5(14) . . . ? N11 Ag1 As12 106.3(11) . . . ? As11 Ag1 As12 127.5(14) . . . ? N Ag2 N21 93.2(13) . . . ? N Ag2 As21 111.7(18) . . . ? N Ag2 As22 112.6(9) . . . ? N21 Ag2 As21 104.1(9) . . . ? N21 Ag2 As22 105.6(18) . . . ? As21 Ag2 As22 124.1(6) . . . ? Ag1 C N 170(4) . . . ? Ag2 N C 166(3) . . . ? Ag1 N11 C12 116(3) . . . ? Ag1 N11 C16 127(3) . . . ? C12 N11 C16 117(4) . . . ? N11 C12 C13 120(4) . . . ? N11 C12 H12 121(4) . . . ? C13 C12 H12 119(5) . . . ? C12 C13 C14 120(5) . . . ? C12 C13 H13 120(5) . . . ? C14 C13 H13 120(5) . . . ? C13 C14 C15 122(5) . . . ? C13 C14 H14 117(6) . . . ? C15 C14 H14 121(5) . . . ? C14 C15 C16 112(5) . . . ? C14 C15 H15 121(5) . . . ? C16 C15 H15 126(5) . . . ? N11 C16 C15 128(5) . . . ? N11 C16 H16 116(4) . . . ? C15 C16 H16 115(5) . . . ? Ag2 N21 C22 118(4) . . . ? Ag2 N21 C26 119(3) . . . ? C22 N21 C26 123(4) . . . ? N21 C22 C23 124(5) . . . ? N21 C22 H22 119(5) . . . ? C23 C22 H22 117(5) . . . ? C22 C23 C24 116(5) . . . ? C22 C23 H23 125(5) . . . ? C24 C23 H23 119(5) . . . ? C23 C24 C25 124(5) . . . ? C23 C24 H24 115(6) . . . ? C25 C24 H24 121(6) . . . ? C24 C25 C26 121(5) . . . ? C24 C25 H25 115(5) . . . ? C26 C25 H25 123(5) . . . ? N21 C26 C25 111(4) . . . ? N21 C26 H26 130(5) . . . ? C25 C26 H26 119(5) . . . ? Ag1 As11 C1111 119(3) . . . ? Ag1 As11 C1121 121.1(16) . . . ? Ag1 As11 C1131 102(2) . . . ? C1111 As11 C1121 104(3) . . . ? C1111 As11 C1131 106(2) . . . ? C1121 As11 C1131 103(2) . . . ? As11 C1111 C1112 105(4) . . . ? As11 C1111 C1116 121(4) . . . ? As11 C1111 H1111 101(4) . . . ? C1112 C1111 C1116 112(4) . . . ? C1112 C1111 H1111 118(6) . . . ? C1116 C1111 H1111 100(5) . . . ? C1111 C1112 C1113 110(4) . . . ? C1111 C1112 H1112a 112(5) . . . ? C1111 C1112 H1112e 112(5) . . . ? C1113 C1112 H1112a 108(4) . . . ? C1113 C1112 H1112e 109(5) . . . ? H1112a C1112 H1112e 107(5) . . . ? C1112 C1113 C1114 110(5) . . . ? C1112 C1113 H1113a 108(5) . . . ? C1112 C1113 H1113e 108(5) . . . ? C1114 C1113 H1113a 114(6) . . . ? C1114 C1113 H1113e 111(6) . . . ? H1113a C1113 H1113e 105(7) . . . ? C1113 C1114 C1115 111(5) . . . ? C1113 C1114 H1114a 108(5) . . . ? C1113 C1114 H1114e 105(6) . . . ? C1115 C1114 H1114a 115(6) . . . ? C1115 C1114 H1114e 107(5) . . . ? H1114a C1114 H1114e 110(5) . . . ? C1114 C1115 C1116 112(5) . . . ? C1114 C1115 H1115a 112(7) . . . ? C1114 C1115 H1115e 108(6) . . . ? C1116 C1115 H1115a 106(6) . . . ? C1116 C1115 H1115e 102(6) . . . ? H1115a C1115 H1115e 116(7) . . . ? C1111 C1116 C1115 111(5) . . . ? C1111 C1116 H1116a 106(5) . . . ? C1111 C1116 H1116e 105(5) . . . ? C1115 C1116 H1116a 111(5) . . . ? C1115 C1116 H1116e 109(5) . . . ? H1116a C1116 H1116e 114(6) . . . ? As11 C1121 C1122 111(4) . . . ? As11 C1121 C1126 109(4) . . . ? As11 C1121 H1121 105(4) . . . ? C1122 C1121 C1126 105(4) . . . ? C1122 C1121 H1121 112(5) . . . ? C1126 C1121 H1121 115(5) . . . ? C1121 C1122 C1123 116(5) . . . ? C1121 C1122 H1122a 108(5) . . . ? C1121 C1122 H1122e 108(5) . . . ? C1123 C1122 H1122a 110(5) . . . ? C1123 C1122 H1122e 109(5) . . . ? H1122a C1122 H1122e 105(6) . . . ? C1122 C1123 C1124 102(4) . . . ? C1122 C1123 H1123a 110(5) . . . ? C1122 C1123 H1123e 109(5) . . . ? C1124 C1123 H1123a 112(5) . . . ? C1124 C1123 H1123e 109(5) . . . ? H1123a C1123 H1123e 114(6) . . . ? C1123 C1124 C1125 112(4) . . . ? C1123 C1124 H1124a 110(5) . . . ? C1123 C1124 H1124e 111(5) . . . ? C1125 C1124 H1124a 106(5) . . . ? C1125 C1124 H1124e 108(5) . . . ? H1124a C1124 H1124e 110(5) . . . ? C1124 C1125 C1126 113(5) . . . ? C1124 C1125 H1125a 112(6) . . . ? C1124 C1125 H1125e 110(5) . . . ? C1126 C1125 H1125a 107(5) . . . ? C1126 C1125 H1125e 105(5) . . . ? H1125a C1125 H1125e 110(6) . . . ? C1121 C1126 C1125 106(4) . . . ? C1121 C1126 H1126a 109(5) . . . ? C1121 C1126 H1126e 109(5) . . . ? C1125 C1126 H1126a 112(5) . . . ? C1125 C1126 H1126e 115(6) . . . ? H1126a C1126 H1126e 105(6) . . . ? As11 C1131 C1132 106(3) . . . ? As11 C1131 C1136 115(4) . . . ? As11 C1131 H1131 106(3) . . . ? C1132 C1131 C1136 105(4) . . . ? C1132 C1131 H1131 114(5) . . . ? C1136 C1131 H1131 110(5) . . . ? C1131 C1132 C1133 102(4) . . . ? C1131 C1132 H1132a 115(5) . . . ? C1131 C1132 H1132e 113(5) . . . ? C1133 C1132 H1132a 114(5) . . . ? C1133 C1132 H1132e 107(5) . . . ? H1132a C1132 H1132e 107(5) . . . ? C1132 C1133 C1134 105(6) . . . ? C1132 C1133 H1133a 110(7) . . . ? C1132 C1133 H1133e 102(6) . . . ? C1134 C1133 H1133a 122(9) . . . ? C1134 C1133 H1133e 102(8) . . . ? H1133a C1133 H1133e 113(9) . . . ? C1133 C1134 C1135 104(7) . . . ? C1133 C1134 H1134a 121(9) . . . ? C1133 C1134 H1134e 98(7) . . . ? C1135 C1134 H1134a 116(8) . . . ? C1135 C1134 H1134e 102(6) . . . ? H1134a C1134 H1134e 113(8) . . . ? C1134 C1135 C1136 105(5) . . . ? C1134 C1135 H1135a 112(6) . . . ? C1134 C1135 H1135e 108(6) . . . ? C1136 C1135 H1135a 109(5) . . . ? C1136 C1135 H1135e 110(5) . . . ? H1135a C1135 H1135e 113(5) . . . ? C1131 C1136 C1135 104(5) . . . ? C1131 C1136 H1136a 109(5) . . . ? C1131 C1136 H1136e 110(5) . . . ? C1135 C1136 H1136a 109(5) . . . ? C1135 C1136 H1136e 110(5) . . . ? H1136a C1136 H1136e 115(7) . . . ? Ag1 As12 C1211 115.3(18) . . . ? Ag1 As12 C1221 113.9(11) . . . ? Ag1 As12 C1231 115(3) . . . ? Ag1 As12 H1211 117.2(5) . . . ? C1211 As12 C1221 105(3) . . . ? C1211 As12 C1231 103(3) . . . ? C1211 As12 H1211 26.6(17) . . . ? C1221 As12 C1231 103(2) . . . ? C1221 As12 H1211 122(2) . . . ? C1231 As12 H1211 79.0(19) . . . ? As12 C1211 C1212 115(4) . . . ? As12 C1211 C1216 124(4) . . . ? As12 C1211 H1211 90(5) . . . ? C1212 C1211 C1216 113(6) . . . ? C1212 C1211 H1211 115(4) . . . ? C1216 C1211 H1211 93(4) . . . ? C1211 C1212 C1213 120(5) . . . ? C1211 C1212 H1212a 111(4) . . . ? C1211 C1212 H1212e 110(6) . . . ? C1213 C1212 H1212a 103(6) . . . ? C1213 C1212 H1212e 102(4) . . . ? H1212a C1212 H1212e 111(5) . . . ? C1212 C1213 C1214 117(5) . . . ? C1212 C1213 H1213a 112(6) . . . ? C1212 C1213 H1213e 110(5) . . . ? C1214 C1213 H1213a 106(5) . . . ? C1214 C1213 H1213e 105(6) . . . ? H1213a C1213 H1213e 106(5) . . . ? C1213 C1214 C1215 121(7) . . . ? C1213 C1214 H1214a 106(6) . . . ? C1213 C1214 H1214e 106(5) . . . ? C1215 C1214 H1214a 109(6) . . . ? C1215 C1214 H1214e 107(6) . . . ? H1214a C1214 H1214e 107(7) . . . ? C1214 C1215 C1216 116(6) . . . ? C1214 C1215 H1215a 105(6) . . . ? C1214 C1215 H1215e 101(7) . . . ? C1216 C1215 H1215a 115(7) . . . ? C1216 C1215 H1215e 111(5) . . . ? H1215a C1215 H1215e 106(7) . . . ? C1211 C1216 C1215 125(4) . . . ? C1211 C1216 H1216a 109(4) . . . ? C1211 C1216 H1216e 110(6) . . . ? C1215 C1216 H1216a 102(5) . . . ? C1215 C1216 H1216e 100(5) . . . ? H1216a C1216 H1216e 110(4) . . . ? As12 C1221 C1222 106(3) . . . ? As12 C1221 C1226 110(3) . . . ? As12 C1221 H1221 112(2) . . . ? C1222 C1221 C1226 111(4) . . . ? C1222 C1221 H1221 113(4) . . . ? C1226 C1221 H1221 105(4) . . . ? C1221 C1222 C1223 108(4) . . . ? C1221 C1222 H1222a 106(4) . . . ? C1221 C1222 H1222e 107(4) . . . ? C1223 C1222 H1222a 110(4) . . . ? C1223 C1222 H1222e 111(4) . . . ? H1222a C1222 H1222e 115(6) . . . ? C1222 C1223 C1224 103(4) . . . ? C1222 C1223 H1223a 111(4) . . . ? C1222 C1223 H1223e 112(6) . . . ? C1224 C1223 H1223a 108(6) . . . ? C1224 C1223 H1223e 110(5) . . . ? H1223a C1223 H1223e 112(5) . . . ? C1223 C1224 C1225 118(4) . . . ? C1223 C1224 H1224a 110(5) . . . ? C1223 C1224 H1224e 110(4) . . . ? C1225 C1224 H1224a 105(4) . . . ? C1225 C1224 H1224e 105(5) . . . ? H1224a C1224 H1224e 108(4) . . . ? C1224 C1225 C1226 110(4) . . . ? C1224 C1225 H1225a 112(4) . . . ? C1224 C1225 H1225e 113(4) . . . ? C1226 C1225 H1225a 110(4) . . . ? C1226 C1225 H1225e 108(4) . . . ? H1225a C1225 H1225e 104(5) . . . ? C1221 C1226 C1225 111(4) . . . ? C1221 C1226 H1226a 110(5) . . . ? C1221 C1226 H1226e 109(4) . . . ? C1225 C1226 H1226a 109(4) . . . ? C1225 C1226 H1226e 109(5) . . . ? H1226a C1226 H1226e 110(5) . . . ? As12 C1231 C1232 117(4) . . . ? As12 C1231 C1236 126(7) . . . ? As12 C1231 H1231 94(5) . . . ? C1232 C1231 C1236 98(6) . . . ? C1232 C1231 H1231 95(5) . . . ? C1236 C1231 H1231 124(8) . . . ? C1231 C1232 C1233 104(5) . . . ? C1231 C1232 H1232a 113(6) . . . ? C1231 C1232 H1232e 105(5) . . . ? C1233 C1232 H1232a 120(6) . . . ? C1233 C1232 H1232e 106(6) . . . ? H1232a C1232 H1232e 107(6) . . . ? C1232 C1233 C1234 99(7) . . . ? C1232 C1233 H1233a 113(8) . . . ? C1232 C1233 H1233e 96(6) . . . ? C1234 C1233 H1233a 119(9) . . . ? C1234 C1233 H1233e 94(7) . . . ? H1233a C1233 H1233e 129(11) . . . ? C1233 C1234 C1235 103(6) . . . ? C1233 C1234 H1234a 124(7) . . . ? C1233 C1234 H1234e 100(7) . . . ? C1235 C1234 H1234a 112(6) . . . ? C1235 C1234 H1234e 104(5) . . . ? H1234a C1234 H1234e 111(7) . . . ? C1234 C1235 C1236 94(5) . . . ? C1234 C1235 H1235a 116(6) . . . ? C1234 C1235 H1235e 108(5) . . . ? C1236 C1235 H1235a 122(5) . . . ? C1236 C1235 H1235e 105(6) . . . ? H1235a C1235 H1235e 111(5) . . . ? C1231 C1236 C1235 120(9) . . . ? C1231 C1236 H1236a 126(12) . . . ? C1231 C1236 H1236e 92(8) . . . ? C1235 C1236 H1236a 105(9) . . . ? C1235 C1236 H1236e 88(6) . . . ? H1236a C1236 H1236e 120(10) . . . ? Ag2 As21 C2111 114.5(15) . . . ? Ag2 As21 C2121 112.3(11) . . . ? Ag2 As21 C2131 116(2) . . . ? C2111 As21 C2121 104(2) . . . ? C2111 As21 C2131 106(2) . . . ? C2121 As21 C2131 102.4(18) . . . ? As21 C2111 C2112 108(4) . . . ? As21 C2111 C2116 118(3) . . . ? As21 C2111 H2111 108(4) . . . ? C2112 C2111 C2116 119(5) . . . ? C2112 C2111 H2111 109(4) . . . ? C2116 C2111 H2111 93(4) . . . ? C2111 C2112 C2113 107(4) . . . ? C2111 C2112 H2112a 110(4) . . . ? C2111 C2112 H2112e 108(5) . . . ? C2113 C2112 H2112a 114(6) . . . ? C2113 C2112 H2112e 111(4) . . . ? H2112a C2112 H2112e 107(5) . . . ? C2112 C2113 C2114 114(4) . . . ? C2112 C2113 H2113a 106(5) . . . ? C2112 C2113 H2113e 104(4) . . . ? C2114 C2113 H2113a 112(5) . . . ? C2114 C2113 H2113e 109(6) . . . ? H2113a C2113 H2113e 111(4) . . . ? C2113 C2114 C2115 110(6) . . . ? C2113 C2114 H2114a 108(5) . . . ? C2113 C2114 H2114e 107(5) . . . ? C2115 C2114 H2114a 108(4) . . . ? C2115 C2114 H2114e 107(5) . . . ? H2114a C2114 H2114e 116(7) . . . ? C2114 C2115 C2116 110(4) . . . ? C2114 C2115 H2115a 111(4) . . . ? C2114 C2115 H2115e 111(6) . . . ? C2116 C2115 H2115a 106(6) . . . ? C2116 C2115 H2115e 106(4) . . . ? H2115a C2115 H2115e 112(5) . . . ? C2111 C2116 C2115 110(4) . . . ? C2111 C2116 H2116a 108(4) . . . ? C2111 C2116 H2116e 106(5) . . . ? C2115 C2116 H2116a 114(6) . . . ? C2115 C2116 H2116e 111(4) . . . ? H2116a C2116 H2116e 107(4) . . . ? As21 C2121 C2122 108(2) . . . ? As21 C2121 C2126 116(4) . . . ? As21 C2121 H2121 108(3) . . . ? C2122 C2121 C2126 112(3) . . . ? C2122 C2121 H2121 114(5) . . . ? C2126 C2121 H2121 99(3) . . . ? C2121 C2122 C2123 110(3) . . . ? C2121 C2122 H2122a 109(5) . . . ? C2121 C2122 H2122e 110(4) . . . ? C2123 C2122 H2122a 109(4) . . . ? C2123 C2122 H2122e 111(5) . . . ? H2122a C2122 H2122e 110(4) . . . ? C2122 C2123 C2124 111(5) . . . ? C2122 C2123 H2123a 109(5) . . . ? C2122 C2123 H2123e 112(4) . . . ? C2124 C2123 H2123a 105(4) . . . ? C2124 C2123 H2123e 107(5) . . . ? H2123a C2123 H2123e 113(7) . . . ? C2123 C2124 C2125 108(4) . . . ? C2123 C2124 H2124a 111(4) . . . ? C2123 C2124 H2124e 114(6) . . . ? C2125 C2124 H2124a 108(5) . . . ? C2125 C2124 H2124e 109(4) . . . ? H2124a C2124 H2124e 106(4) . . . ? C2124 C2125 C2126 111(4) . . . ? C2124 C2125 H2125a 110(6) . . . ? C2124 C2125 H2125e 109(5) . . . ? C2126 C2125 H2125a 109(5) . . . ? C2126 C2125 H2125e 109(5) . . . ? H2125a C2125 H2125e 108(5) . . . ? C2121 C2126 C2125 115(5) . . . ? C2121 C2126 H2126a 110(3) . . . ? C2121 C2126 H2126e 111(4) . . . ? C2125 C2126 H2126a 109(4) . . . ? C2125 C2126 H2126e 109(3) . . . ? H2126a C2126 H2126e 103(5) . . . ? As21 C2131 C2132 108(3) . . . ? As21 C2131 C2136 117(4) . . . ? As21 C2131 H2131 105(3) . . . ? C2132 C2131 C2136 102(3) . . . ? C2132 C2131 H2131 117(5) . . . ? C2136 C2131 H2131 109(4) . . . ? C2131 C2132 C2133 109(4) . . . ? C2131 C2132 H2132a 111(5) . . . ? C2131 C2132 H2132e 109(4) . . . ? C2133 C2132 H2132a 107(4) . . . ? C2133 C2132 H2132e 106(5) . . . ? H2132a C2132 H2132e 114(5) . . . ? C2132 C2133 C2134 104(4) . . . ? C2132 C2133 H2133a 112(4) . . . ? C2132 C2133 H2133e 112(4) . . . ? C2134 C2133 H2133a 112(4) . . . ? C2134 C2133 H2133e 114(4) . . . ? H2133a C2133 H2133e 104(5) . . . ? C2133 C2134 C2135 113(3) . . . ? C2133 C2134 H2134a 108(4) . . . ? C2133 C2134 H2134e 105(5) . . . ? C2135 C2134 H2134a 114(5) . . . ? C2135 C2134 H2134e 108(4) . . . ? H2134a C2134 H2134e 108(4) . . . ? C2134 C2135 C2136 102(3) . . . ? C2134 C2135 H2135a 110(5) . . . ? C2134 C2135 H2135e 109(4) . . . ? C2136 C2135 H2135a 113(4) . . . ? C2136 C2135 H2135e 113(5) . . . ? H2135a C2135 H2135e 110(4) . . . ? C2131 C2136 C2135 111(5) . . . ? C2131 C2136 H2136a 109(4) . . . ? C2131 C2136 H2136e 110(4) . . . ? C2135 C2136 H2136a 107(4) . . . ? C2135 C2136 H2136e 105(4) . . . ? H2136a C2136 H2136e 114(6) . . . ? Ag2 As22 C2211 119.1(16) . . . ? Ag2 As22 C2221 110.5(19) . . . ? Ag2 As22 C2231 110(2) . . . ? C2211 As22 C2221 99(3) . . . ? C2211 As22 C2231 107(2) . . . ? C2221 As22 C2231 110(2) . . . ? As22 C2211 C2212 114(4) . . . ? As22 C2211 C2216 117(4) . . . ? As22 C2211 H2211 94(5) . . . ? C2212 C2211 C2216 128(6) . . . ? C2212 C2211 H2211 93(4) . . . ? C2216 C2211 H2211 92(5) . . . ? C2211 C2212 C2213 111(5) . . . ? C2211 C2212 H2212a 110(4) . . . ? C2211 C2212 H2212e 114(6) . . . ? C2213 C2212 H2212a 106(5) . . . ? C2213 C2212 H2212e 106(4) . . . ? H2212a C2212 H2212e 109(4) . . . ? C2212 C2213 C2214 121(5) . . . ? C2212 C2213 H2213a 111(6) . . . ? C2212 C2213 H2213e 109(5) . . . ? C2214 C2213 H2213a 106(5) . . . ? C2214 C2213 H2213e 102(6) . . . ? H2213a C2213 H2213e 108(5) . . . ? C2213 C2214 C2215 120(6) . . . ? C2213 C2214 H2214a 112(6) . . . ? C2213 C2214 H2214e 109(5) . . . ? C2215 C2214 H2214a 107(5) . . . ? C2215 C2214 H2214e 104(5) . . . ? H2214a C2214 H2214e 103(6) . . . ? C2214 C2215 C2216 113(4) . . . ? C2214 C2215 H2215a 110(4) . . . ? C2214 C2215 H2215e 108(5) . . . ? C2216 C2215 H2215a 110(6) . . . ? C2216 C2215 H2215e 109(4) . . . ? H2215a C2215 H2215e 107(5) . . . ? C2211 C2216 C2215 117(4) . . . ? C2211 C2216 H2216a 108(5) . . . ? C2211 C2216 H2216e 113(7) . . . ? C2215 C2216 H2216a 103(6) . . . ? C2215 C2216 H2216e 104(5) . . . ? H2216a C2216 H2216e 110(5) . . . ? As22 C2221 C2222 127(5) . . . ? As22 C2221 C2226 112(4) . . . ? As22 C2221 H2221 85(4) . . . ? C2222 C2221 C2226 122(5) . . . ? C2222 C2221 H2221 92(6) . . . ? C2226 C2221 H2221 96(5) . . . ? C2221 C2222 C2223 123(5) . . . ? C2221 C2222 H2222a 97(6) . . . ? C2221 C2222 H2222e 111(7) . . . ? C2223 C2222 H2222a 107(6) . . . ? C2223 C2222 H2222e 112(6) . . . ? H2222a C2222 H2222e 105(5) . . . ? C2222 C2223 C2224 117(5) . . . ? C2222 C2223 H2223a 109(6) . . . ? C2222 C2223 H2223e 109(5) . . . ? C2224 C2223 H2223a 108(5) . . . ? C2224 C2223 H2223e 106(5) . . . ? H2223a C2223 H2223e 107(5) . . . ? C2223 C2224 C2225 114(6) . . . ? C2223 C2224 H2224a 109(5) . . . ? C2223 C2224 H2224e 112(6) . . . ? C2225 C2224 H2224a 107(6) . . . ? C2225 C2224 H2224e 108(6) . . . ? H2224a C2224 H2224e 106(6) . . . ? C2224 C2225 C2226 122(4) . . . ? C2224 C2225 H2225a 109(5) . . . ? C2224 C2225 H2225e 106(6) . . . ? C2226 C2225 H2225a 107(5) . . . ? C2226 C2225 H2225e 104(4) . . . ? H2225a C2225 H2225e 109(4) . . . ? C2221 C2226 C2225 109(4) . . . ? C2221 C2226 H2226a 106(4) . . . ? C2221 C2226 H2226e 115(5) . . . ? C2225 C2226 H2226a 108(5) . . . ? C2225 C2226 H2226e 109(4) . . . ? H2226a C2226 H2226e 108(4) . . . ? As22 C2231 C2232 112(3) . . . ? As22 C2231 C2236 112(2) . . . ? As22 C2231 H2231 103(4) . . . ? C2232 C2231 C2236 109(4) . . . ? C2232 C2231 H2231 111(3) . . . ? C2236 C2231 H2231 110(3) . . . ? C2231 C2232 C2233 112(4) . . . ? C2231 C2232 H2232a 106(4) . . . ? C2231 C2232 H2232e 105(6) . . . ? C2233 C2232 H2232a 112(6) . . . ? C2233 C2232 H2232e 110(4) . . . ? H2232a C2232 H2232e 111(4) . . . ? C2232 C2233 C2234 111(4) . . . ? C2232 C2233 H2233a 108(5) . . . ? C2232 C2233 H2233e 108(4) . . . ? C2234 C2233 H2233a 110(4) . . . ? C2234 C2233 H2233e 110(6) . . . ? H2233a C2233 H2233e 111(4) . . . ? C2233 C2234 C2235 118(5) . . . ? C2233 C2234 H2234a 108(5) . . . ? C2233 C2234 H2234e 105(4) . . . ? C2235 C2234 H2234a 107(4) . . . ? C2235 C2234 H2234e 105(4) . . . ? H2234a C2234 H2234e 114(7) . . . ? C2234 C2235 C2236 110(4) . . . ? C2234 C2235 H2235a 112(4) . . . ? C2234 C2235 H2235e 112(6) . . . ? C2236 C2235 H2235a 108(5) . . . ? C2236 C2235 H2235e 108(4) . . . ? H2235a C2235 H2235e 108(4) . . . ? C2231 C2236 C2235 112(3) . . . ? C2231 C2236 H2236a 109(4) . . . ? C2231 C2236 H2236e 107(5) . . . ? C2235 C2236 H2236a 111(5) . . . ? C2235 C2236 H2236e 109(4) . . . ? H2236a C2236 H2236e 109(4) . . . ? As12 H1211 C1211 63(4) . . . ? C31 Ag3 C32 177(2) . . . ? Ag3 C31 N31 165(5) . . . ? Ag3 C32 N32 172(5) . . . ? loop_ _geom_torsion_atom_site_label_1 #ActaC _geom_torsion_atom_site_label_2 #ActaC _geom_torsion_atom_site_label_3 #ActaC _geom_torsion_atom_site_label_4 #ActaC _geom_torsion #ActaC _geom_torsion_site_symmetry_1 #ActaC _geom_torsion_site_symmetry_2 #ActaC _geom_torsion_site_symmetry_3 #ActaC _geom_torsion_site_symmetry_4 #ActaC _geom_torsion_publ_flag #ActaC ? ? ? ? ? ? ? ? ? ? _reflns_limit_h_min 0 _reflns_limit_h_max 17 _reflns_limit_k_min 0 _reflns_limit_k_max 17 _reflns_limit_l_min -24 _reflns_limit_l_max 24 _reflns_number_total 8040 #ActaC _reflns_number_observed 2839 #ActaC _reflns_observed_criterion refl_observed_if_F____>_.000_sigma(F___) _reflns_d_resolution_high .841 _reflns_d_resolution_low 14.706 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 9.0049 #=END data_cnpcy _audit_creation_date 98-04-06 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common 'AgCN:P(C6H11)3 (1:1)' #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural 'C38 H66 Ag2 N2 P2' #ActaC _chemical_formula_sum ? #ActaC _chemical_formula_weight 828.7 #ActaC _chemical_melting_point ? #ActaC _computing_data_collection 'Enraf-NONIUS CAD4 software' #ActaC _computing_cell_refinement 'Enraf-NONIUS CAD4 software' #ActaC _computing_data_reduction xtal_DIFDAT_SORTRF_ADDREF_ABSORB #ActaC _computing_structure_solution xtal #ActaC _computing_structure_refinement xtal_CRYLSQ #ActaC _computing_molecular_graphics xtal #ActaC _computing_publication_material xtal_BONDLA_CIFIO #ActaC _cell_length_a 23.063(9) #ActaC _cell_length_b 17.557(6) #ActaC _cell_length_c 10.170(10) #ActaC _cell_angle_alpha 90.02(5) #ActaC _cell_angle_beta 94.88(6) #ActaC _cell_angle_gamma 101.06(3) #ActaC _cell_volume 4026(5) #ActaC _cell_formula_units_Z 2 #ActaC _cell_measurement_temperature 293 #ActaC _cell_measurement_reflns_used ? #ActaC _cell_measurement_theta_min ? #ActaC _cell_measurement_theta_max ? #ActaC _cell_special_details #ActaC ; ? ; _symmetry_cell_setting triclinic #ActaC _symmetry_space_group_name_H-M ? #ActaC _symmetry_space_group_name_Hall -P_1 #ActaC loop_ _symmetry_equiv_pos_as_xyz #ActaC +x,+y,+z -x,-y,-z _exptl_crystal_description plate #ActaC _exptl_crystal_preparation ? _exptl_crystal_colour ? #ActaC _exptl_crystal_size_max 0.52 #ActaC _exptl_crystal_size_mid 0.30 #ActaC _exptl_crystal_size_min 0.14 #ActaC _exptl_crystal_density_diffrn 1.367 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 1728 #ActaC _exptl_absorpt_process_details ? _exptl_absorpt_coefficient_mu 0.98 #ActaC _exptl_absorpt_correction_type gaussian #ActaC _exptl_absorpt_correction_T_min 0.75 #ActaC _exptl_absorpt_correction_T_max 0.88 #ActaC _exptl_special_details #ActaC ; ? ; _diffrn_special_details ; ? ; _diffrn_ambient_temperature 293 #ActaC _diffrn_radiation_wavelength 0.71073 #ActaC _diffrn_radiation_type xray_tube #ActaC _diffrn_radiation_source ? #ActaC _diffrn_radiation_monochromator graphite #ActaC _diffrn_radiation_detector ? #ActaC _diffrn_measurement_device CAD4 #ActaC _diffrn_measurement_method 2theta/theta #ActaC _diffrn_standards_number ? #ActaC _diffrn_standards_interval_count ? #ActaC _diffrn_standards_interval_time ? #ActaC _diffrn_standards_decay_% ? #ActaC loop_ _diffrn_standard_refln_index_h #ActaC _diffrn_standard_refln_index_k #ActaC _diffrn_standard_refln_index_l #ActaC ? ? ? loop_ _diffrn_attenuator_code _diffrn_attenuator_scale ? ? _diffrn_reflns_number .122350+05 #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI 0 #ActaC _diffrn_reflns_limit_h_min -26 #ActaC _diffrn_reflns_limit_h_max 25 #ActaC _diffrn_reflns_limit_k_min -19 #ActaC _diffrn_reflns_limit_k_max 19 #ActaC _diffrn_reflns_limit_l_min 0 #ActaC _diffrn_reflns_limit_l_max 11 #ActaC _diffrn_reflns_theta_min 1.34 #ActaC _diffrn_reflns_theta_max 25.00 #ActaC _diffrn_reflns_reduction_process equatorial_monochr_Lp #ActaC loop_ _atom_type_symbol #ActaC _atom_type_description #ActaC _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real #ActaC _atom_type_scat_dispersion_imag #ActaC _atom_type_scat_source #ActaC C ? 0 152 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 264 0 0 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Ag ? 0 8 -1.085 1.101 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 N ? 0 8 .004 .003 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 P ? 0 8 .09 .095 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 O ? 0 0 .008 .006 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 loop_ _atom_site_label #ActaC _atom_site_fract_x #ActaC _atom_site_fract_y #ActaC _atom_site_fract_z #ActaC _atom_site_U_iso_or_equiv #ActaC _atom_site_thermal_displace_type #ActaC _atom_site_calc_flag #ActaC _atom_site_calc_attached_atom #ActaC Ag1 .73329(5) .50532(6) .91228(10) .0560(6) Uani ? ? Ag2 .72123(6) .61490(7) 1.42092(10) .0717(8) Uani ? ? C1 .7204(7) .5888(9) 1.2249(13) .076(10) Uani ? ? N1 .7174(5) .5594(9) 1.1210(12) .112(11) Uani ? ? C2 .7229(6) .6306(8) 1.6262(13) .062(9) Uani ? ? N2 .7215(6) .6383(8) 1.7390(14) .112(11) Uani ? ? P11 .84052(15) .5268(2) .9327(3) .047(2) Uani ? ? C1111 .8765(6) .5442(9) .7751(13) .072(10) Uani ? ? C1112 .8376(7) .5149(13) .6627(14) .112(13) Uani ? ? C1113 .8583(7) .5411(11) .5309(12) .092(11) Uani ? ? C1114 .9210(9) .5339(14) .5227(15) .141(16) Uani ? ? C1115 .9600(8) .5575(15) .6298(18) .164(19) Uani ? ? C1116 .9369(7) .5315(11) .7700(15) .094(12) Uani ? ? C1121 .8701(6) .6145(8) 1.0371(12) .060(8) Uani ? ? C1122 .9365(7) .6311(10) 1.0733(15) .095(12) Uani ? ? C1123 .9516(8) .7052(12) 1.1669(19) .130(15) Uani ? ? C1124 .9260(8) .7720(10) 1.1238(18) .110(13) Uani ? ? C1125 .8630(7) .7519(9) 1.0851(16) .090(11) Uani ? ? C1126 .8462(6) .6818(8) .9908(14) .073(10) Uani ? ? C1131 .8685(6) .4471(8) 1.0145(13) .060(8) Uani ? ? C1132 .8467(7) .4376(9) 1.1534(13) .080(10) Uani ? ? C1133 .8637(8) .3698(10) 1.2263(15) .099(12) Uani ? ? C1134 .8446(9) .2958(9) 1.1486(16) .105(13) Uani ? ? C1135 .8670(9) .3022(9) 1.0121(16) .110(13) Uani ? ? C1136 .8470(7) .3695(8) .9420(14) .081(10) Uani ? ? P12 .64074(15) .42744(19) .8212(3) .0400(18) Uani ? ? C1211 .6065(5) .3565(7) .9392(12) .044(7) Uani ? ? C1212 .6540(6) .3263(7) 1.0282(12) .052(8) Uani ? ? C1213 .6274(7) .2692(8) 1.1277(12) .067(9) Uani ? ? C1214 .5818(6) .2032(8) 1.0661(13) .064(9) Uani ? ? C1215 .5333(6) .2350(7) .9863(14) .063(9) Uani ? ? C1216 .5583(6) .2889(7) .8829(12) .051(8) Uani ? ? C1221 .5887(5) .4913(7) .7768(10) .043(7) Uani ? ? C1222 .5821(7) .5439(8) .8936(13) .074(10) Uani ? ? C1223 .5463(8) .6038(9) .8548(14) .087(11) Uani ? ? C1224 .4863(7) .5707(10) .7845(15) .092(12) Uani ? ? C1225 .4924(7) .5188(9) .6722(14) .075(10) Uani ? ? C1226 .5267(6) .4567(7) .7133(12) .056(8) Uani ? ? C1231 .6434(5) .3710(7) .6690(11) .048(7) Uani ? ? C1232 .6605(6) .4287(8) .5604(12) .059(8) Uani ? ? C1233 .6675(7) .3848(10) .4285(12) .084(10) Uani ? ? C1234 .7123(7) .3318(10) .4553(13) .083(11) Uani ? ? C1235 .6936(7) .2744(8) .5589(13) .073(10) Uani ? ? C1236 .6864(6) .3159(8) .6918(12) .061(9) Uani ? ? Ag3 .73465(5) .00599(6) .68262(10) .0548(6) Uani ? ? Ag4 .72168(6) .11284(7) .16726(10) .0680(7) Uani ? ? C3 .7215(6) .0869(8) .3644(12) .063(9) Uani ? ? N3 .7204(6) .0613(8) .4651(11) .097(9) Uani ? ? C4 .7228(6) .1313(7) -.0357(12) .053(8) Uani ? ? N4 .7233(5) .1372(7) -.1512(14) .097(10) Uani ? ? P31 .84235(15) .0325(2) .7068(3) .046(2) Uani ? ? C3111 .8752(6) .0560(9) .8801(12) .065(9) Uani ? ? C3112 .8389(6) .0069(10) .9733(12) .076(10) Uani ? ? C3113 .8590(7) .0350(11) 1.1172(14) .098(12) Uani ? ? C3114 .9213(8) .0396(12) 1.1470(14) .111(13) Uani ? ? C3115 .9568(8) .0922(12) 1.0539(16) .124(14) Uani ? ? C3116 .9380(8) .0616(12) .9094(15) .117(14) Uani ? ? C3121 .8692(5) .1185(7) .6062(11) .047(7) Uani ? ? C3122 .9357(6) .1373(8) .5824(14) .070(9) Uani ? ? C3123 .9462(7) .2042(10) .4874(15) .097(12) Uani ? ? C3124 .9242(7) .2746(9) .5279(14) .082(10) Uani ? ? C3125 .8605(7) .2562(9) .5534(14) .074(10) Uani ? ? C3126 .8493(6) .1901(8) .6504(13) .066(9) Uani ? ? C3131 .8746(6) -.0456(8) .6397(13) .062(9) Uani ? ? C3132 .8539(8) -.0568(9) .4922(14) .087(11) Uani ? ? C3133 .8800(8) -.1232(9) .4338(16) .102(13) Uani ? ? C3134 .8611(10) -.1978(10) .5023(18) .126(15) Uani ? ? C3135 .8809(10) -.1879(10) .6475(18) .130(16) Uani ? ? C3136 .8582(8) -.1210(9) .7077(15) .089(11) Uani ? ? P32 .64189(15) -.0726(2) .7348(3) .0407(18) Uani ? ? C3211 .6076(5) -.1431(7) .6010(11) .042(7) Uani ? ? C3212 .6561(6) -.1737(7) .5318(12) .057(8) Uani ? ? C3213 .6284(7) -.2302(8) .4206(13) .070(9) Uani ? ? C3214 .5824(6) -.2959(8) .4640(13) .067(9) Uani ? ? C3215 .5341(6) -.2654(8) .5252(14) .067(9) Uani ? ? C3216 .5596(6) -.2104(7) .6409(13) .060(8) Uani ? ? C3221 .5893(5) -.0077(7) .7581(11) .044(7) Uani ? ? C3222 .5843(7) .0444(8) .6383(13) .074(10) Uani ? ? C3223 .5464(8) .1043(9) .6626(13) .083(11) Uani ? ? C3224 .4868(7) .0700(10) .7097(13) .091(11) Uani ? ? C3225 .4934(6) .0186(9) .8234(14) .071(10) Uani ? ? C3226 .5286(6) -.0428(8) .7981(12) .057(8) Uani ? ? C3231 .6445(6) -.1286(7) .8877(11) .048(7) Uani ? ? C3232 .6606(6) -.0735(8) 1.0049(13) .062(9) Uani ? ? C3233 .6667(7) -.1179(9) 1.1344(12) .076(10) Uani ? ? C3234 .7134(7) -.1690(9) 1.1259(13) .080(10) Uani ? ? C3235 .6943(7) -.2258(9) 1.0155(13) .075(10) Uani ? ? C3236 .6884(6) -.1841(8) .8813(12) .059(8) Uani ? ? H1111 .88409 .59948 .77293 .09020 Uiso ? ? H1112a .83141 .46009 .66398 .12800 Uiso ? ? H1112e .80088 .53126 .67051 .12800 Uiso ? ? H1113a .85471 .59339 .51823 .11920 Uiso ? ? H1113e .83426 .50918 .46343 .11920 Uiso ? ? H1114a .92171 .48111 .50605 .16090 Uiso ? ? H1114e .93521 .56429 .45036 .16090 Uiso ? ? H1115a .96961 .61266 .63018 .18740 Uiso ? ? H1115e .99461 .53708 .62047 .18740 Uiso ? ? H1116a .93743 .47805 .78183 .11250 Uiso ? ? H1116e .96205 .56122 .83797 .11250 Uiso ? ? H1121 .85510 .60139 1.12036 .06990 Uiso ? ? H1122a .95674 .64051 .99593 .10400 Uiso ? ? H1122e .94788 .58804 1.11812 .10400 Uiso ? ? H1123a .93850 .69016 1.25039 .13570 Uiso ? ? H1123e .99370 .72122 1.17496 .13570 Uiso ? ? H1124a .94583 .79454 1.05144 .12550 Uiso ? ? H1124e .93227 .80838 1.19539 .12550 Uiso ? ? H1125a .84264 .74063 1.16194 .10400 Uiso ? ? H1125e .85123 .79511 1.04218 .10400 Uiso ? ? H1126a .86063 .69613 .90827 .09510 Uiso ? ? H1126e .80414 .66746 .98076 .09510 Uiso ? ? H1131 .91047 .46004 1.01651 .07680 Uiso ? ? H1132a .80479 .43117 1.14537 .09790 Uiso ? ? H1132e .86339 .48345 1.20351 .09790 Uiso ? ? H1133a .90517 .37932 1.24575 .11600 Uiso ? ? H1133e .84462 .36462 1.30645 .11600 Uiso ? ? H1134a .80283 .28223 1.14010 .11840 Uiso ? ? H1134e .86066 .25601 1.19442 .11840 Uiso ? ? H1135a .90877 .30986 1.01896 .12210 Uiso ? ? H1135e .85073 .25557 .96282 .12210 Uiso ? ? H1136a .80498 .35965 .93188 .10820 Uiso ? ? H1136e .86197 .37331 .85746 .10820 Uiso ? ? H1211 .58533 .38622 .98891 .05520 Uiso ? ? H1212a .67682 .30155 .97443 .06630 Uiso ? ? H1212e .67902 .36913 1.07416 .06630 Uiso ? ? H1213a .60941 .29599 1.18864 .08040 Uiso ? ? H1213e .65860 .24837 1.17286 .08040 Uiso ? ? H1214a .60013 .17349 1.01010 .07320 Uiso ? ? H1214e .56496 .17121 1.13393 .07320 Uiso ? ? H1215a .51358 .26222 1.04342 .07810 Uiso ? ? H1215e .50559 .19299 .94443 .07810 Uiso ? ? H1216a .57516 .26033 .82187 .06100 Uiso ? ? H1216e .52708 .30963 .83828 .06100 Uiso ? ? H1221 .60819 .51883 .70758 .06050 Uiso ? ? H1222a .56310 .51240 .95935 .09660 Uiso ? ? H1222e .62041 .56922 .92833 .09660 Uiso ? ? H1223a .56813 .63933 .79840 .11970 Uiso ? ? H1223e .54059 .63034 .93281 .11970 Uiso ? ? H1224a .46181 .54224 .84503 .11550 Uiso ? ? H1224e .46864 .61243 .75118 .11550 Uiso ? ? H1225a .51217 .54912 .60648 .10010 Uiso ? ? H1225e .45384 .49424 .63680 .10010 Uiso ? ? H1226a .53046 .42701 .63761 .06200 Uiso ? ? H1226e .50578 .42421 .77511 .06200 Uiso ? ? H1231 .60577 .33949 .64367 .06590 Uiso ? ? H1232a .69695 .46206 .58837 .07260 Uiso ? ? H1232e .63040 .45850 .54428 .07260 Uiso ? ? H1233a .63044 .35478 .39640 .10030 Uiso ? ? H1233e .68138 .42186 .36455 .10030 Uiso ? ? H1234a .74979 .36238 .48365 .10710 Uiso ? ? H1234e .71515 .30463 .37591 .10710 Uiso ? ? H1235a .65677 .24251 .52901 .09170 Uiso ? ? H1235e .72280 .24315 .57449 .09170 Uiso ? ? H1236a .72399 .34447 .72582 .08230 Uiso ? ? H1236e .67190 .27793 .75348 .08230 Uiso ? ? H3111 .87329 .10936 .89172 .08430 Uiso ? ? H3112a .84323 -.04538 .96332 .08380 Uiso ? ? H3112e .79829 .01020 .95409 .08380 Uiso ? ? H3113a .84987 .08481 1.12955 .11450 Uiso ? ? H3113e .83839 -.00058 1.17561 .11450 Uiso ? ? H3114a .92998 -.01069 1.14093 .12630 Uiso ? ? H3114e .93195 .05979 1.23436 .12630 Uiso ? ? H3115a .95003 .14330 1.06211 .13250 Uiso ? ? H3115e .99791 .09193 1.07382 .13250 Uiso ? ? H3116a .94771 .01207 .89977 .14060 Uiso ? ? H3116e .95872 .09682 .85049 .14060 Uiso ? ? H3121 .85028 .10129 .52168 .05890 Uiso ? ? H3122a .95863 .15150 .66360 .08400 Uiso ? ? H3122e .94675 .09306 .54546 .08400 Uiso ? ? H3123a .92674 .18677 .40368 .11100 Uiso ? ? H3123e .98766 .21850 .48043 .11100 Uiso ? ? H3124a .94682 .29614 .60610 .09120 Uiso ? ? H3124e .92894 .31136 .45936 .09120 Uiso ? ? H3125a .83725 .24161 .47290 .09110 Uiso ? ? H3125e .84991 .30090 .58983 .09110 Uiso ? ? H3126a .86987 .20677 .73304 .08230 Uiso ? ? H3126e .80785 .17738 .65947 .08230 Uiso ? ? H3131 .91639 -.03008 .65347 .08070 Uiso ? ? H3132a .81189 -.06963 .48176 .11860 Uiso ? ? H3132e .86728 -.01017 .44757 .11860 Uiso ? ? H3133a .92183 -.10958 .44242 .14250 Uiso ? ? H3133e .86614 -.13005 .34279 .14250 Uiso ? ? H3134a .81935 -.21306 .49019 .14790 Uiso ? ? H3134e .87906 -.23658 .46558 .14790 Uiso ? ? H3135a .92277 -.17802 .65936 .15560 Uiso ? ? H3135e .86539 -.23440 .69117 .15560 Uiso ? ? H3136a .81632 -.13429 .70470 .11220 Uiso ? ? H3136e .87444 -.11423 .79699 .11220 Uiso ? ? H3211 .58669 -.11419 .54095 .05180 Uiso ? ? H3212a .67825 -.19925 .59438 .07110 Uiso ? ? H3212e .68175 -.13116 .49639 .07110 Uiso ? ? H3213a .61020 -.20269 .35384 .08530 Uiso ? ? H3213e .65889 -.25146 .38584 .08530 Uiso ? ? H3214a .60074 -.32576 .52658 .07700 Uiso ? ? H3214e .56563 -.32750 .38920 .07700 Uiso ? ? H3215a .51401 -.23834 .46075 .07650 Uiso ? ? H3215e .50677 -.30780 .55614 .07650 Uiso ? ? H3216a .57643 -.23879 .70829 .06890 Uiso ? ? H3216e .52829 -.18960 .67328 .06890 Uiso ? ? H3221 .60760 .02131 .83459 .05880 Uiso ? ? H3222a .56666 .01296 .56408 .10320 Uiso ? ? H3222e .62277 .07062 .62121 .10320 Uiso ? ? H3223a .56736 .14057 .72730 .10750 Uiso ? ? H3223e .53998 .13022 .58221 .10750 Uiso ? ? H3224a .46273 .04084 .63969 .10900 Uiso ? ? H3224e .46842 .11091 .73607 .10900 Uiso ? ? H3225a .51267 .04963 .89655 .08790 Uiso ? ? H3225e .45496 -.00641 .84343 .08790 Uiso ? ? H3226a .50803 -.07655 .72944 .07430 Uiso ? ? H3226e .53287 -.07131 .87648 .07430 Uiso ? ? H3231 .60644 -.15956 .89698 .06400 Uiso ? ? H3232a .69700 -.03973 .99323 .07280 Uiso ? ? H3232e .63021 -.04402 1.00983 .07280 Uiso ? ? H3233a .62966 -.14957 1.14890 .09450 Uiso ? ? H3233e .67875 -.08166 1.20561 .09450 Uiso ? ? H3234a .75046 -.13749 1.11122 .09870 Uiso ? ? H3234e .71710 -.19603 1.20628 .09870 Uiso ? ? H3235a .65704 -.25679 1.03027 .09150 Uiso ? ? H3235e .72288 -.25797 1.01117 .09150 Uiso ? ? H3236a .72603 -.15528 .86339 .07900 Uiso ? ? H3236e .67430 -.22168 .81304 .07900 Uiso ? ? loop_ _atom_site_aniso_label #ActaC _atom_site_aniso_U_11 #ActaC _atom_site_aniso_U_22 #ActaC _atom_site_aniso_U_33 #ActaC _atom_site_aniso_U_12 #ActaC _atom_site_aniso_U_13 #ActaC _atom_site_aniso_U_23 #ActaC Ag1 .0505(7) .0621(8) .0486(7) -.0060(6) .0034(5) -.0160(6) Ag2 .0983(10) .0811(9) .0377(7) .0214(8) .0086(6) -.0072(6) C1 .081(12) .092(13) .055(9) .003(10) .033(8) -.009(9) N1 .064(10) .186(17) .073(10) -.011(10) .016(7) -.054(10) C2 .067(10) .067(10) .054(9) .024(8) .001(7) -.018(8) N2 .076(10) .124(13) .136(13) .018(9) .010(9) -.085(11) P11 .049(2) .052(2) .036(2) -.0013(18) .0007(17) -.0015(17) C1111 .064(11) .102(13) .047(9) .006(9) .008(8) .001(9) C1112 .073(12) .23(2) .043(10) .036(14) .013(9) .013(12) C1113 .107(14) .154(17) .024(8) .044(13) .009(8) .009(9) C1114 .130(18) .24(3) .036(10) .003(17) .004(10) -.029(13) C1115 .094(16) .30(3) .093(15) .007(18) .065(13) .007(18) C1116 .057(11) .146(17) .073(12) .007(11) .009(9) -.025(11) C1121 .065(10) .060(10) .045(8) -.002(8) -.013(7) -.004(7) C1122 .081(13) .119(15) .072(12) -.003(11) -.022(9) -.034(11) C1123 .090(15) .138(18) .136(18) -.019(13) -.047(12) -.061(14) C1124 .105(15) .086(14) .130(16) -.007(11) .017(12) -.042(12) C1125 .082(13) .087(13) .092(13) -.008(10) .005(10) -.013(10) C1126 .075(11) .064(11) .077(11) .009(9) .005(9) -.011(9) C1131 .070(10) .051(9) .056(9) .004(8) .006(8) -.004(7) C1132 .106(14) .082(12) .050(10) .016(10) .002(9) .002(9) C1133 .129(16) .084(13) .075(12) .012(12) -.018(11) .016(10) C1134 .17(2) .056(11) .075(12) -.010(11) -.002(12) .008(9) C1135 .18(2) .065(12) .080(13) .014(13) .019(13) -.006(10) C1136 .133(15) .056(10) .055(10) .019(10) .013(10) -.005(8) P12 .043(2) .038(2) .036(2) .0010(16) .0019(16) -.0085(16) C1211 .041(8) .036(8) .057(9) .007(6) .011(6) -.005(6) C1212 .065(10) .048(9) .039(8) -.001(7) .005(7) -.001(7) C1213 .097(12) .056(10) .045(9) .012(9) -.006(8) .001(7) C1214 .078(11) .044(9) .069(10) -.000(8) .025(8) .007(8) C1215 .062(10) .041(9) .084(11) -.001(7) .016(8) -.003(8) C1216 .056(9) .031(8) .064(9) .003(7) -.002(7) .003(7) C1221 .058(9) .045(8) .026(7) .009(7) .011(6) -.003(6) C1222 .108(13) .069(11) .052(9) .038(10) .005(9) -.006(8) C1223 .145(16) .077(12) .059(10) .068(12) .024(10) -.004(9) C1224 .113(15) .120(15) .071(11) .078(12) .043(10) .028(10) C1225 .082(12) .082(12) .068(11) .031(10) .002(9) .005(9) C1226 .067(10) .055(10) .048(8) .019(8) .002(7) .004(7) C1231 .051(9) .047(8) .039(8) -.004(7) .000(6) -.010(6) C1232 .063(10) .065(10) .048(9) .019(8) -.009(7) -.008(7) C1233 .114(14) .118(14) .018(7) .013(11) .016(8) -.021(8) C1234 .096(13) .113(14) .050(10) .038(11) .023(9) -.016(9) C1235 .095(12) .071(11) .062(10) .042(10) -.003(9) -.029(8) C1236 .063(10) .071(11) .054(9) .026(8) .008(7) -.017(8) Ag3 .0498(7) .0615(8) .0469(7) -.0052(6) .0055(5) .0104(5) Ag4 .0905(10) .0771(9) .0366(6) .0162(7) .0067(6) .0054(6) C3 .063(10) .086(11) .035(8) .010(8) -.009(7) .027(8) N3 .087(11) .136(13) .056(8) -.002(9) -.005(7) .026(8) C4 .070(10) .039(8) .052(9) .011(7) .014(7) .031(7) N4 .064(9) .085(10) .145(13) .016(8) .032(8) .069(9) P31 .049(2) .051(2) .036(2) .0056(18) .0067(17) .0039(17) C3111 .052(9) .095(12) .044(9) .005(8) -.004(7) .014(8) C3112 .047(9) .128(15) .039(8) -.017(9) .005(7) -.001(9) C3113 .081(12) .170(19) .043(9) .019(12) .018(8) .037(11) C3114 .113(15) .17(2) .041(10) .007(14) .001(9) .034(11) C3115 .106(16) .17(2) .067(12) -.042(14) -.034(11) .019(12) C3116 .087(14) .19(2) .052(11) -.020(13) .004(9) .034(12) C3121 .047(8) .053(9) .038(7) .004(7) .008(6) .004(6) C3122 .056(10) .074(11) .078(11) -.001(8) .016(8) .026(9) C3123 .084(13) .120(15) .083(12) .001(11) .028(10) .056(11) C3124 .086(12) .073(12) .073(11) -.014(9) .001(9) .030(9) C3125 .084(12) .075(12) .062(10) .009(9) .009(9) .026(9) C3126 .070(11) .069(11) .056(9) .007(8) .011(8) .010(8) C3131 .068(10) .058(10) .060(10) .010(8) .006(8) .008(8) C3132 .127(16) .078(12) .058(10) .026(11) .007(10) -.005(9) C3133 .154(18) .070(12) .096(14) .033(12) .057(12) -.002(10) C3134 .21(2) .059(12) .114(16) .031(14) .044(15) -.021(11) C3135 .24(3) .063(13) .108(15) .068(15) .069(16) .022(11) C3136 .129(16) .073(12) .074(11) .031(11) .036(11) .018(9) P32 .047(2) .038(2) .035(2) .0037(17) .0047(16) .0055(16) C3211 .047(8) .042(8) .035(7) .006(6) -.001(6) .001(6) C3212 .068(10) .049(9) .052(9) -.002(7) .015(7) -.002(7) C3213 .103(13) .059(10) .052(9) .019(9) .020(9) -.005(8) C3214 .079(11) .057(10) .056(9) .003(8) -.014(8) -.011(8) C3215 .068(11) .043(9) .080(11) -.000(8) -.027(8) -.005(8) C3216 .070(11) .038(9) .068(10) -.001(7) .009(8) .000(7) C3221 .057(9) .047(8) .028(7) .011(7) -.001(6) .008(6) C3222 .124(14) .061(11) .047(9) .042(10) .010(9) .012(8) C3223 .142(16) .075(12) .049(9) .061(11) .010(9) .013(8) C3224 .113(14) .128(16) .049(10) .079(12) -.023(9) -.021(10) C3225 .071(11) .081(12) .067(10) .031(9) .013(8) .000(9) C3226 .064(10) .061(10) .050(9) .022(8) .006(7) -.004(7) C3231 .064(9) .043(8) .035(7) .004(7) .004(6) .011(6) C3232 .072(11) .059(10) .055(9) .007(8) .022(8) .008(7) C3233 .106(13) .096(13) .022(7) .007(10) .007(8) .019(8) C3234 .093(13) .112(14) .043(9) .043(11) -.003(8) .032(9) C3235 .098(13) .082(12) .055(10) .037(10) .011(9) .034(9) C3236 .076(11) .055(10) .051(9) .023(8) .008(8) .025(7) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details sfls:_F____sigma_weight_atomblock_matrix _refine_ls_structure_factor_coef F #ActaC _refine_ls_matrix_type atomblock #ActaC _refine_ls_weighting_scheme sigma #ActaC _refine_ls_hydrogen_treatment noref #ActaC _refine_ls_extinction_method none #ActaC _refine_ls_extinction_coef .00000 #ActaC _refine_ls_extinction_expression ? _refine_ls_abs_structure_details none #ActaC _refine_ls_abs_structure_Flack 0 #ActaC _refine_ls_number_reflns 6647 #ActaC _refine_ls_number_parameters 794 #ActaC _refine_ls_number_restraints 0 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .114 #ActaC _refine_ls_R_factor_obs .069 #ActaC _refine_ls_wR_factor_all .079 #ActaC _refine_ls_wR_factor_obs .073 #ActaC _refine_ls_goodness_of_fit_all 2.117 #ActaC _refine_ls_goodness_of_fit_obs 2.751 #ActaC _refine_ls_shift/esd_max .042 #ActaC _refine_ls_shift/esd_mean .009 #ActaC _refine_diff_density_min -1.145 #ActaC _refine_diff_density_max 2.184 #ActaC _geom_special_details ? #ActaC loop_ _geom_bond_atom_site_label_1 #ActaC _geom_bond_atom_site_label_2 #ActaC _geom_bond_distance #ActaC _geom_bond_site_symmetry_1 #ActaC _geom_bond_site_symmetry_2 #ActaC _geom_bond_publ_flag #ActaC Ag1 N1 2.409(14) . . ? Ag1 N2 2.966(15) . 1_554 ? Ag1 P11 2.420(4) . . ? Ag1 P12 2.414(3) . . ? Ag2 C1 2.043(14) . . ? Ag2 C2 2.102(13) . . ? C1 N1 1.17(2) . . ? C2 N2 1.16(2) . . ? P11 C1111 1.865(14) . . ? P11 C1121 1.855(13) . . ? P11 C1131 1.823(14) . . ? C1111 C1112 1.42(2) . . ? C1111 C1116 1.46(2) . . ? C1111 H1111 .953(16) . . ? C1112 C1113 1.50(2) . . ? C1112 H1112a .95(2) . . ? C1112 H1112e .954(19) . . ? C1113 C1114 1.48(3) . . ? C1113 H1113a .95(2) . . ? C1113 H1113e .953(14) . . ? C1114 C1115 1.36(2) . . ? C1114 H1114a .95(2) . . ? C1114 H1114e .953(18) . . ? C1115 C1116 1.60(2) . . ? C1115 H1115a .95(3) . . ? C1115 H1115e .95(2) . . ? C1116 H1116a .949(19) . . ? C1116 H1116e .950(15) . . ? C1121 C1122 1.52(2) . . ? C1121 C1126 1.46(2) . . ? C1121 H1121 .953(13) . . ? C1122 C1123 1.58(3) . . ? C1122 H1122a .947(16) . . ? C1122 H1122e .950(18) . . ? C1123 C1124 1.46(3) . . ? C1123 H1123a .95(2) . . ? C1123 H1123e .954(17) . . ? C1124 C1125 1.45(2) . . ? C1124 H1124a .946(18) . . ? C1124 H1124e .952(18) . . ? C1125 C1126 1.53(2) . . ? C1125 H1125a .948(16) . . ? C1125 H1125e .949(17) . . ? C1126 H1126a .946(15) . . ? C1126 H1126e .951(14) . . ? C1131 C1132 1.54(2) . . ? C1131 C1136 1.525(19) . . ? C1131 H1131 .949(14) . . ? C1132 C1133 1.50(2) . . ? C1132 H1132a .948(16) . . ? C1132 H1132e .951(14) . . ? C1133 C1134 1.49(2) . . ? C1133 H1133a .943(18) . . ? C1133 H1133e .954(17) . . ? C1134 C1135 1.52(2) . . ? C1134 H1134a .94(2) . . ? C1134 H1134e .955(18) . . ? C1135 C1136 1.51(2) . . ? C1135 H1135a .94(2) . . ? C1135 H1135e .954(16) . . ? C1136 H1136a .947(17) . . ? C1136 H1136e .951(15) . . ? P12 C1211 1.844(12) . . ? P12 C1221 1.824(14) . . ? P12 C1231 1.848(13) . . ? C1211 C1212 1.535(18) . . ? C1211 C1216 1.535(15) . . ? C1211 H1211 .951(13) . . ? C1212 C1213 1.509(18) . . ? C1212 H1212a .949(14) . . ? C1212 H1212e .950(11) . . ? C1213 C1214 1.504(18) . . ? C1213 H1213a .947(15) . . ? C1213 H1213e .951(15) . . ? C1214 C1215 1.52(2) . . ? C1214 H1214a .948(15) . . ? C1214 H1214e .951(13) . . ? C1215 C1216 1.493(18) . . ? C1215 H1215a .950(15) . . ? C1215 H1215e .952(12) . . ? C1216 H1216a .951(13) . . ? C1216 H1216e .950(13) . . ? C1221 C1222 1.540(19) . . ? C1221 C1226 1.530(17) . . ? C1221 H1221 .950(11) . . ? C1222 C1223 1.49(2) . . ? C1222 H1222a .950(14) . . ? C1222 H1222e .949(14) . . ? C1223 C1224 1.51(2) . . ? C1223 H1223a .949(15) . . ? C1223 H1223e .951(15) . . ? C1224 C1225 1.49(2) . . ? C1224 H1224a .948(16) . . ? C1224 H1224e .952(18) . . ? C1225 C1226 1.50(2) . . ? C1225 H1225a .947(14) . . ? C1225 H1225e .952(14) . . ? C1226 H1226a .950(13) . . ? C1226 H1226e .948(12) . . ? C1231 C1232 1.524(17) . . ? C1231 C1236 1.52(2) . . ? C1231 H1231 .951(11) . . ? C1232 C1233 1.58(2) . . ? C1232 H1232a .949(12) . . ? C1232 H1232e .950(15) . . ? C1233 C1234 1.53(3) . . ? C1233 H1233a .946(15) . . ? C1233 H1233e .951(14) . . ? C1234 C1235 1.49(2) . . ? C1234 H1234a .948(15) . . ? C1234 H1234e .952(15) . . ? C1235 C1236 1.57(2) . . ? C1235 H1235a .949(14) . . ? C1235 H1235e .951(17) . . ? C1236 H1236a .951(12) . . ? C1236 H1236e .948(13) . . ? Ag3 N3 2.438(12) . . ? Ag3 N4 2.921(14) . 1_556 ? Ag3 P31 2.429(4) . . ? Ag3 P32 2.413(3) . . ? Ag4 C3 2.056(12) . . ? Ag4 C4 2.091(12) . . ? C3 N3 1.119(17) . . ? C4 N4 1.180(19) . . ? P31 C3111 1.872(13) . . ? P31 C3121 1.860(12) . . ? P31 C3131 1.837(15) . . ? C3111 C3112 1.485(19) . . ? C3111 C3116 1.44(2) . . ? C3111 H3111 .954(16) . . ? C3112 C3113 1.548(19) . . ? C3112 H3112a .948(17) . . ? C3112 H3112e .953(14) . . ? C3113 C3114 1.43(2) . . ? C3113 H3113a .95(2) . . ? C3113 H3113e .951(16) . . ? C3114 C3115 1.50(2) . . ? C3114 H3114a .95(2) . . ? C3114 H3114e .951(15) . . ? C3115 C3116 1.56(2) . . ? C3115 H3115a .94(2) . . ? C3115 H3115e .954(18) . . ? C3116 H3116a .95(2) . . ? C3116 H3116e .952(17) . . ? C3121 C3122 1.544(18) . . ? C3121 C3126 1.50(2) . . ? C3121 H3121 .953(11) . . ? C3122 C3123 1.52(2) . . ? C3122 H3122a .948(13) . . ? C3122 H3122e .950(15) . . ? C3123 C3124 1.49(3) . . ? C3123 H3123a .950(15) . . ? C3123 H3123e .950(16) . . ? C3124 C3125 1.49(2) . . ? C3124 H3124a .949(14) . . ? C3124 H3124e .950(15) . . ? C3125 C3126 1.52(2) . . ? C3125 H3125a .947(13) . . ? C3125 H3125e .950(16) . . ? C3126 H3126a .947(13) . . ? C3126 H3126e .952(14) . . ? C3131 C3132 1.54(2) . . ? C3131 C3136 1.49(2) . . ? C3131 H3131 .949(13) . . ? C3132 C3133 1.55(3) . . ? C3132 H3132a .949(17) . . ? C3132 H3132e .948(15) . . ? C3133 C3134 1.49(2) . . ? C3133 H3133a .946(19) . . ? C3133 H3133e .953(16) . . ? C3134 C3135 1.51(3) . . ? C3134 H3134a .95(2) . . ? C3134 H3134e .95(2) . . ? C3135 C3136 1.52(3) . . ? C3135 H3135a .95(2) . . ? C3135 H3135e .952(17) . . ? C3136 H3136a .948(17) . . ? C3136 H3136e .951(15) . . ? P32 C3211 1.857(11) . . ? P32 C3221 1.844(14) . . ? P32 C3231 1.844(12) . . ? C3211 C3212 1.55(2) . . ? C3211 C3216 1.537(16) . . ? C3211 H3211 .952(12) . . ? C3212 C3213 1.517(18) . . ? C3212 H3212a .948(13) . . ? C3212 H3212e .951(12) . . ? C3213 C3214 1.505(19) . . ? C3213 H3213a .948(14) . . ? C3213 H3213e .949(16) . . ? C3214 C3215 1.50(2) . . ? C3214 H3214a .948(14) . . ? C3214 H3214e .950(13) . . ? C3215 C3216 1.525(18) . . ? C3215 H3215a .949(14) . . ? C3215 H3215e .951(13) . . ? C3216 H3216a .948(14) . . ? C3216 H3216e .951(15) . . ? C3221 C3222 1.534(18) . . ? C3221 C3226 1.508(18) . . ? C3221 H3221 .951(11) . . ? C3222 C3223 1.52(2) . . ? C3222 H3222a .949(13) . . ? C3222 H3222e .949(15) . . ? C3223 C3224 1.51(2) . . ? C3223 H3223a .949(14) . . ? C3223 H3223e .950(14) . . ? C3224 C3225 1.48(2) . . ? C3224 H3224a .949(14) . . ? C3224 H3224e .952(19) . . ? C3225 C3226 1.50(2) . . ? C3225 H3225a .948(13) . . ? C3225 H3225e .949(14) . . ? C3226 H3226a .949(12) . . ? C3226 H3226e .950(13) . . ? C3231 C3232 1.511(17) . . ? C3231 C3236 1.54(2) . . ? C3231 H3231 .952(12) . . ? C3232 C3233 1.541(19) . . ? C3232 H3232a .947(13) . . ? C3232 H3232e .951(15) . . ? C3233 C3234 1.53(2) . . ? C3233 H3233a .948(15) . . ? C3233 H3233e .951(13) . . ? C3234 C3235 1.48(2) . . ? C3234 H3234a .949(15) . . ? C3234 H3234e .951(14) . . ? C3235 C3236 1.557(19) . . ? C3235 H3235a .949(15) . . ? C3235 H3235e .950(17) . . ? C3236 H3236a .949(13) . . ? C3236 H3236e .950(12) . . ? loop_ _geom_contact_atom_site_label_1 #ActaC _geom_contact_atom_site_label_2 #ActaC _geom_contact_distance #ActaC _geom_contact_site_symmetry_1 #ActaC _geom_contact_site_symmetry_2 #ActaC _geom_contact_publ_flag #ActaC Ag1 C1 3.560(15) . . ? Ag1 C2 3.667(14) . 1_554 ? Ag1 C1111 3.639(14) . . ? Ag1 C1112 3.625(16) . . ? Ag1 C1121 3.499(12) . . ? Ag1 C1126 3.683(13) . . ? Ag1 C1131 3.540(14) . . ? Ag1 C1132 3.792(16) . . ? Ag1 C1136 3.863(18) . . ? Ag1 C1211 3.558(11) . . ? Ag1 C1212 3.574(12) . . ? Ag1 C1221 3.462(12) . . ? Ag1 C1222 3.667(17) . . ? Ag1 C1231 3.636(11) . . ? Ag1 C1232 3.942(12) . . ? Ag1 C1236 3.932(13) . . ? Ag1 H1112e 3.011(2) . . ? Ag1 H1126e 3.0461(14) . . ? Ag1 H1132a 3.193(2) . . ? Ag1 H1136a 3.2988(15) . . ? Ag1 H1212e 3.0330(15) . . ? Ag1 H1221 3.4575(18) . . ? Ag1 H1222e 3.0422(15) . . ? Ag1 H1232a 3.379(3) . . ? Ag1 H1236a 3.3635(17) . . ? Ag2 N1 3.191(13) . . ? Ag2 N2 3.260(15) . . ? Ag2 C1113 3.728(18) . 1_556 ? Ag2 C1232 3.640(13) . 1_556 ? Ag2 C1233 3.994(16) . 1_556 ? Ag2 H1112e 3.495(2) . 1_556 ? Ag2 H1113a 3.2444(18) . 1_556 ? Ag2 H1113e 3.4774(17) . 1_556 ? Ag2 H1232a 3.1629(17) . 1_556 ? Ag2 H1232e 3.4272(15) . 1_556 ? Ag2 H1233e 3.3727(17) . 1_556 ? P11 C1112 2.747(15) . . ? P11 C1116 2.870(16) . . ? P11 C1122 2.865(15) . . ? P11 C1126 2.761(15) . . ? P11 C1132 2.747(15) . . ? P11 C1136 2.795(16) . . ? P11 H1111 2.251(4) . . ? P11 H1112a 2.947(4) . . ? P11 H1112e 2.750(4) . . ? P11 H1116e 2.993(4) . . ? P11 H1121 2.279(4) . . ? P11 H1126a 2.934(4) . . ? P11 H1126e 2.813(4) . . ? P11 H1131 2.279(4) . . ? P11 H1132a 2.820(4) . . ? P11 H1132e 2.890(4) . . ? P11 H1136a 2.891(4) . . ? P11 H1136e 2.943(4) . . ? C1111 C1113 2.482(18) . . ? C1111 C1114 2.86(2) . . ? C1111 C1115 2.50(2) . . ? C1111 C1121 2.96(2) . . ? C1111 C1131 2.97(2) . . ? C1111 H1112a 1.936(14) . . ? C1111 H1112e 1.938(13) . . ? C1111 H1116a 1.985(16) . . ? C1111 H1116e 1.988(14) . . ? C1112 C1114 2.46(2) . . ? C1112 C1115 2.83(2) . . ? C1112 C1116 2.42(2) . . ? C1112 H1111 1.948(17) . . ? C1112 H1113a 2.026(18) . . ? C1112 H1113e 2.023(14) . . ? C1113 C1115 2.44(2) . . ? C1113 C1116 2.93(2) . . ? C1113 H1112a 2.011(16) . . ? C1113 H1112e 2.008(15) . . ? C1113 H1114a 1.99(2) . . ? C1113 H1114e 1.988(16) . . ? C1114 C1116 2.51(2) . . ? C1114 H1113a 2.01(2) . . ? C1114 H1113e 2.00(2) . . ? C1114 H1115a 1.886(19) . . ? C1114 H1115e 1.885(19) . . ? C1115 H1114a 1.88(2) . . ? C1115 H1114e 1.876(19) . . ? C1115 H1116a 2.11(2) . . ? C1115 H1116e 2.114(19) . . ? C1116 H1111 1.863(19) . . ? C1116 H1115a 2.096(16) . . ? C1116 H1115e 2.095(16) . . ? C1121 C1123 2.50(2) . . ? C1121 C1124 2.92(2) . . ? C1121 C1125 2.50(2) . . ? C1121 C1131 2.94(2) . . ? C1121 H1122a 2.042(13) . . ? C1121 H1122e 2.045(14) . . ? C1121 H1126a 1.972(13) . . ? C1121 H1126e 1.975(14) . . ? C1122 C1124 2.59(3) . . ? C1122 C1125 2.97(3) . . ? C1122 C1126 2.50(2) . . ? C1122 H1121 1.951(16) . . ? C1122 H1123a 2.071(16) . . ? C1122 H1123e 2.068(15) . . ? C1123 C1125 2.43(3) . . ? C1123 C1126 2.86(2) . . ? C1123 H1122a 2.10(2) . . ? C1123 H1122e 2.10(2) . . ? C1123 H1124a 1.98(2) . . ? C1123 H1124e 1.97(2) . . ? C1124 C1126 2.49(2) . . ? C1124 H1123a 1.975(18) . . ? C1124 H1123e 1.97(2) . . ? C1124 H1125a 1.967(18) . . ? C1124 H1125e 1.963(19) . . ? C1125 H1124a 1.972(16) . . ? C1125 H1124e 1.970(15) . . ? C1125 H1126a 2.038(16) . . ? C1125 H1126e 2.037(15) . . ? C1126 H1121 1.959(15) . . ? C1126 H1125a 2.039(15) . . ? C1126 H1125e 2.036(15) . . ? C1131 C1133 2.54(2) . . ? C1131 C1134 2.96(2) . . ? C1131 C1135 2.54(2) . . ? C1131 H1132a 2.046(14) . . ? C1131 H1132e 2.045(13) . . ? C1131 H1136a 2.034(12) . . ? C1131 H1136e 2.033(13) . . ? C1132 C1134 2.48(2) . . ? C1132 C1135 2.91(2) . . ? C1132 C1136 2.46(2) . . ? C1132 H1131 2.093(16) . . ? C1132 H1133a 2.015(17) . . ? C1132 H1133e 2.014(15) . . ? C1133 C1135 2.50(2) . . ? C1133 C1136 2.88(2) . . ? C1133 H1132a 2.013(18) . . ? C1133 H1132e 2.010(17) . . ? C1133 H1134a 2.016(15) . . ? C1133 H1134e 2.011(17) . . ? C1134 C1136 2.47(2) . . ? C1134 H1133a 2.013(16) . . ? C1134 H1133e 2.009(16) . . ? C1134 H1135a 2.044(19) . . ? C1134 H1135e 2.042(17) . . ? C1135 H1134a 2.03(2) . . ? C1135 H1134e 2.030(17) . . ? C1135 H1136a 2.02(2) . . ? C1135 H1136e 2.018(17) . . ? C1136 H1131 2.041(14) . . ? C1136 H1135a 2.030(17) . . ? C1136 H1135e 2.028(15) . . ? P12 C1212 2.790(13) . . ? P12 C1216 2.890(12) . . ? P12 C1222 2.790(17) . . ? P12 C1226 2.902(14) . . ? P12 C1232 2.728(13) . . ? P12 C1236 2.776(15) . . ? P12 H1211 2.255(4) . . ? P12 H1212a 2.914(4) . . ? P12 H1212e 2.900(4) . . ? P12 H1221 2.188(3) . . ? P12 H1222a 2.976(4) . . ? P12 H1222e 2.853(4) . . ? P12 H1231 2.359(3) . . ? P12 H1232a 2.806(4) . . ? P12 H1232e 2.867(4) . . ? P12 H1236a 2.853(4) . . ? P12 H1236e 2.947(4) . . ? C1211 C1213 2.528(18) . . ? C1211 C1214 2.962(18) . . ? C1211 C1215 2.527(16) . . ? C1211 C1221 2.959(17) . . ? C1211 C1231 2.942(17) . . ? C1211 H1212a 2.047(13) . . ? C1211 H1212e 2.049(11) . . ? C1211 H1216a 2.045(11) . . ? C1211 H1216e 2.046(11) . . ? C1212 C1214 2.515(17) . . ? C1212 C1215 2.931(17) . . ? C1212 C1216 2.525(17) . . ? C1212 H1211 2.076(14) . . ? C1212 H1213a 2.020(12) . . ? C1212 H1213e 2.019(12) . . ? C1213 C1215 2.472(19) . . ? C1213 C1216 2.898(18) . . ? C1213 H1212a 2.026(14) . . ? C1213 H1212e 2.025(13) . . ? C1213 H1214a 2.028(13) . . ? C1213 H1214e 2.026(13) . . ? C1214 C1216 2.485(19) . . ? C1214 H1213a 2.020(13) . . ? C1214 H1213e 2.020(13) . . ? C1214 H1215a 2.041(15) . . ? C1214 H1215e 2.040(14) . . ? C1215 H1214a 2.043(15) . . ? C1215 H1214e 2.042(14) . . ? C1215 H1216a 2.009(14) . . ? C1215 H1216e 2.010(14) . . ? C1216 H1211 1.986(12) . . ? C1216 H1215a 2.012(13) . . ? C1216 H1215e 2.013(11) . . ? C1221 C1223 2.52(2) . . ? C1221 C1224 2.97(2) . . ? C1221 C1225 2.51(2) . . ? C1221 C1231 2.917(19) . . ? C1221 H1222a 2.050(11) . . ? C1221 H1222e 2.050(11) . . ? C1221 H1226a 2.044(10) . . ? C1221 H1226e 2.043(11) . . ? C1222 C1224 2.51(2) . . ? C1222 C1225 2.90(2) . . ? C1222 C1226 2.487(18) . . ? C1222 H1221 2.105(15) . . ? C1222 H1223a 2.000(15) . . ? C1222 H1223e 2.000(17) . . ? C1223 C1225 2.47(2) . . ? C1223 C1226 2.89(2) . . ? C1223 H1222a 2.006(16) . . ? C1223 H1222e 2.007(18) . . ? C1223 H1224a 2.034(16) . . ? C1223 H1224e 2.032(17) . . ? C1224 C1226 2.50(2) . . ? C1224 H1223a 2.029(16) . . ? C1224 H1223e 2.028(15) . . ? C1224 H1225a 2.012(16) . . ? C1224 H1225e 2.010(15) . . ? C1225 H1224a 2.020(15) . . ? C1225 H1224e 2.017(16) . . ? C1225 H1226a 2.021(17) . . ? C1225 H1226e 2.022(16) . . ? C1226 H1221 1.990(13) . . ? C1226 H1225a 2.017(13) . . ? C1226 H1225e 2.015(14) . . ? C1231 C1233 2.555(17) . . ? C1231 C1234 2.95(2) . . ? C1231 C1235 2.54(2) . . ? C1231 H1232a 2.041(12) . . ? C1231 H1232e 2.042(12) . . ? C1231 H1236a 2.038(13) . . ? C1231 H1236e 2.039(13) . . ? C1232 C1234 2.54(2) . . ? C1232 C1235 2.95(2) . . ? C1232 C1236 2.53(2) . . ? C1232 H1231 2.046(13) . . ? C1232 H1233a 2.099(12) . . ? C1232 H1233e 2.098(13) . . ? C1233 C1235 2.49(2) . . ? C1233 C1236 2.972(19) . . ? C1233 H1232a 2.098(13) . . ? C1233 H1232e 2.095(17) . . ? C1233 H1234a 2.043(17) . . ? C1233 H1234e 2.042(18) . . ? C1234 C1236 2.53(2) . . ? C1234 H1233a 2.046(17) . . ? C1234 H1233e 2.044(17) . . ? C1234 H1235a 2.014(15) . . ? C1234 H1235e 2.012(16) . . ? C1235 H1234a 2.013(14) . . ? C1235 H1234e 2.012(14) . . ? C1235 H1236a 2.086(13) . . ? C1235 H1236e 2.086(14) . . ? C1236 H1231 2.004(14) . . ? C1236 H1235a 2.082(13) . . ? C1236 H1235e 2.083(15) . . ? Ag3 C3 3.548(13) . . ? Ag3 C4 3.671(13) . 1_556 ? Ag3 C3111 3.621(12) . . ? Ag3 C3112 3.647(13) . . ? Ag3 C3121 3.493(11) . . ? Ag3 C3126 3.796(13) . . ? Ag3 C3131 3.576(15) . . ? Ag3 C3132 3.821(18) . . ? Ag3 C3136 3.934(18) . . ? Ag3 C3211 3.573(11) . . ? Ag3 C3212 3.595(12) . . ? Ag3 C3221 3.465(13) . . ? Ag3 C3222 3.649(17) . . ? Ag3 C3231 3.622(12) . . ? Ag3 C3232 3.956(14) . . ? Ag3 C3236 3.919(13) . . ? Ag3 H3112e 3.008(3) . . ? Ag3 H3121 3.4092(16) . . ? Ag3 H3126e 3.1748(14) . . ? Ag3 H3132a 3.2610(19) . . ? Ag3 H3136a 3.3725(15) . . ? Ag3 H3212e 3.0578(16) . . ? Ag3 H3221 3.4813(17) . . ? Ag3 H3222e 3.0306(15) . . ? Ag3 H3232a 3.403(3) . . ? Ag3 H3236a 3.3596(17) . . ? Ag4 N3 3.162(12) . . ? Ag4 N4 3.270(15) . . ? Ag4 C3113 3.754(19) . 1_554 ? Ag4 C3232 3.639(13) . 1_554 ? Ag4 H1134a 3.2213(15) . 1_554 ? Ag4 H1213e 3.0205(16) . 1_554 ? Ag4 H1214a 3.4542(17) . 1_554 ? Ag4 H3113a 3.1434(18) . 1_554 ? Ag4 H3232a 3.1419(17) . 1_554 ? Ag4 H3232e 3.4339(15) . 1_554 ? Ag4 H3233e 3.4004(17) . 1_554 ? P31 C3112 2.753(13) . . ? P31 C3116 2.858(16) . . ? P31 C3122 2.926(14) . . ? P31 C3126 2.802(15) . . ? P31 C3132 2.748(16) . . ? P31 C3136 2.789(17) . . ? P31 H3111 2.295(4) . . ? P31 H3112a 2.947(4) . . ? P31 H3112e 2.792(4) . . ? P31 H3116e 2.963(3) . . ? P31 H3121 2.238(4) . . ? P31 H3126e 2.836(4) . . ? P31 H3131 2.301(4) . . ? P31 H3132a 2.862(4) . . ? P31 H3132e 2.875(4) . . ? P31 H3136a 2.874(4) . . ? P31 H3136e 2.940(4) . . ? C3111 C3113 2.49(2) . . ? C3111 C3114 2.86(2) . . ? C3111 C3115 2.46(2) . . ? C3111 C3121 2.995(17) . . ? C3111 H3112a 2.009(14) . . ? C3111 H3112e 2.011(13) . . ? C3111 H3116a 1.967(15) . . ? C3111 H3116e 1.970(13) . . ? C3112 C3114 2.46(2) . . ? C3112 C3115 2.89(2) . . ? C3112 C3116 2.45(2) . . ? C3112 H3111 2.030(15) . . ? C3112 H3113a 2.063(14) . . ? C3112 H3113e 2.062(13) . . ? C3113 C3115 2.43(2) . . ? C3113 C3116 2.89(2) . . ? C3113 H3112a 2.069(16) . . ? C3113 H3112e 2.067(14) . . ? C3113 H3114a 1.954(19) . . ? C3113 H3114e 1.954(15) . . ? C3114 C3116 2.50(2) . . ? C3114 H3113a 1.95(2) . . ? C3114 H3113e 1.953(18) . . ? C3114 H3115a 2.033(18) . . ? C3114 H3115e 2.030(17) . . ? C3115 H3111 2.491(18) . . ? C3115 H3114a 2.02(2) . . ? C3115 H3114e 2.018(17) . . ? C3115 H3116a 2.076(18) . . ? C3115 H3116e 2.075(16) . . ? C3116 H3111 1.84(2) . . ? C3116 H3115a 2.077(18) . . ? C3116 H3115e 2.077(15) . . ? C3121 C3123 2.49(2) . . ? C3121 C3124 2.930(19) . . ? C3121 C3125 2.52(2) . . ? C3121 C3131 2.93(2) . . ? C3121 H3122a 2.065(11) . . ? C3121 H3122e 2.067(13) . . ? C3121 H3126a 2.012(12) . . ? C3121 H3126e 2.014(13) . . ? C3122 C3124 2.53(2) . . ? C3122 C3125 2.96(2) . . ? C3122 C3126 2.50(2) . . ? C3122 H3121 1.994(13) . . ? C3122 H3123a 2.027(14) . . ? C3122 H3123e 2.025(14) . . ? C3123 C3125 2.47(2) . . ? C3123 C3126 2.87(2) . . ? C3123 H3122a 2.041(16) . . ? C3123 H3122e 2.042(18) . . ? C3123 H3124a 2.012(17) . . ? C3123 H3124e 2.011(19) . . ? C3124 C3126 2.47(2) . . ? C3124 H3123a 2.006(15) . . ? C3124 H3123e 2.005(17) . . ? C3124 H3125a 2.008(15) . . ? C3124 H3125e 2.008(17) . . ? C3125 H3124a 2.005(14) . . ? C3125 H3124e 2.003(14) . . ? C3125 H3126a 2.036(14) . . ? C3125 H3126e 2.034(14) . . ? C3126 H3121 2.039(14) . . ? C3126 H3125a 2.041(14) . . ? C3126 H3125e 2.039(14) . . ? C3131 C3133 2.52(2) . . ? C3131 C3134 2.97(2) . . ? C3131 C3135 2.53(2) . . ? C3131 H3132a 2.054(13) . . ? C3131 H3132e 2.054(13) . . ? C3131 H3136a 2.004(13) . . ? C3131 H3136e 2.003(13) . . ? C3132 C3134 2.51(2) . . ? C3132 C3135 2.93(2) . . ? C3132 C3136 2.47(2) . . ? C3132 H3131 2.079(15) . . ? C3132 H3133a 2.063(18) . . ? C3132 H3133e 2.062(16) . . ? C3133 C3135 2.45(2) . . ? C3133 C3136 2.87(2) . . ? C3133 H3132a 2.07(2) . . ? C3133 H3132e 2.067(17) . . ? C3133 H3134a 2.016(16) . . ? C3133 H3134e 2.013(17) . . ? C3134 C3136 2.50(2) . . ? C3134 H3133a 2.012(18) . . ? C3134 H3133e 2.011(18) . . ? C3134 H3135a 2.03(2) . . ? C3134 H3135e 2.026(18) . . ? C3135 H3134a 2.03(2) . . ? C3135 H3134e 2.031(18) . . ? C3135 H3136a 2.03(2) . . ? C3135 H3136e 2.029(19) . . ? C3136 H3131 1.989(15) . . ? C3136 H3135a 2.038(19) . . ? C3136 H3135e 2.037(16) . . ? P32 C3212 2.804(14) . . ? P32 C3216 2.881(12) . . ? P32 C3222 2.788(16) . . ? P32 C3226 2.886(15) . . ? P32 C3232 2.745(13) . . ? P32 C3236 2.781(14) . . ? P32 H3211 2.292(3) . . ? P32 H3212a 2.933(4) . . ? P32 H3212e 2.919(4) . . ? P32 H3221 2.238(4) . . ? P32 H3222a 2.961(4) . . ? P32 H3222e 2.862(4) . . ? P32 H3231 2.340(3) . . ? P32 H3232a 2.830(4) . . ? P32 H3232e 2.886(4) . . ? P32 H3236a 2.869(4) . . ? P32 H3236e 2.949(4) . . ? C3211 C3213 2.523(19) . . ? C3211 C3214 2.956(18) . . ? C3211 C3215 2.542(16) . . ? C3211 C3221 2.978(17) . . ? C3211 C3231 2.965(16) . . ? C3211 H3212a 2.066(13) . . ? C3211 H3212e 2.067(12) . . ? C3211 H3216a 2.050(11) . . ? C3211 H3216e 2.051(11) . . ? C3212 C3214 2.524(17) . . ? C3212 C3215 2.958(18) . . ? C3212 C3216 2.54(2) . . ? C3212 H3211 2.082(15) . . ? C3212 H3213a 2.030(12) . . ? C3212 H3213e 2.029(13) . . ? C3213 C3215 2.48(2) . . ? C3213 C3216 2.91(2) . . ? C3213 H3212a 2.038(13) . . ? C3213 H3212e 2.036(13) . . ? C3213 H3214a 2.023(14) . . ? C3213 H3214e 2.023(13) . . ? C3214 C3216 2.50(2) . . ? C3214 H3213a 2.016(13) . . ? C3214 H3213e 2.016(14) . . ? C3214 H3215a 2.027(16) . . ? C3214 H3215e 2.025(15) . . ? C3215 H3214a 2.028(15) . . ? C3215 H3214e 2.027(15) . . ? C3215 H3216a 2.038(14) . . ? C3215 H3216e 2.039(14) . . ? C3216 H3211 1.995(13) . . ? C3216 H3215a 2.043(13) . . ? C3216 H3215e 2.042(12) . . ? C3221 C3223 2.52(2) . . ? C3221 C3224 2.96(2) . . ? C3221 C3225 2.49(2) . . ? C3221 C3231 2.935(18) . . ? C3221 H3222a 2.049(11) . . ? C3221 H3222e 2.050(11) . . ? C3221 H3226a 2.025(11) . . ? C3221 H3226e 2.025(11) . . ? C3222 C3224 2.54(2) . . ? C3222 C3225 2.91(2) . . ? C3222 C3226 2.497(19) . . ? C3222 H3221 2.083(13) . . ? C3222 H3223a 2.034(15) . . ? C3222 H3223e 2.033(16) . . ? C3223 C3225 2.46(2) . . ? C3223 C3226 2.90(2) . . ? C3223 H3222a 2.039(16) . . ? C3223 H3222e 2.038(18) . . ? C3223 H3224a 2.029(16) . . ? C3223 H3224e 2.029(18) . . ? C3224 C3226 2.50(2) . . ? C3224 H3223a 2.019(15) . . ? C3224 H3223e 2.019(15) . . ? C3224 H3225a 1.996(14) . . ? C3224 H3225e 1.996(15) . . ? C3225 H3224a 2.007(14) . . ? C3225 H3224e 2.006(15) . . ? C3225 H3226a 2.022(16) . . ? C3225 H3226e 2.019(16) . . ? C3226 H3221 1.955(12) . . ? C3226 H3225a 2.015(14) . . ? C3226 H3225e 2.013(15) . . ? C3231 C3233 2.517(16) . . ? C3231 C3234 2.944(19) . . ? C3231 C3235 2.53(2) . . ? C3231 H3232a 2.026(11) . . ? C3231 H3232e 2.028(13) . . ? C3231 H3236a 2.057(14) . . ? C3231 H3236e 2.058(13) . . ? C3232 C3234 2.52(2) . . ? C3232 C3235 2.92(2) . . ? C3232 C3236 2.53(2) . . ? C3232 H3231 2.023(12) . . ? C3232 H3233a 2.062(13) . . ? C3232 H3233e 2.059(13) . . ? C3233 C3235 2.46(2) . . ? C3233 C3236 2.94(2) . . ? C3233 H3232a 2.059(14) . . ? C3233 H3232e 2.058(15) . . ? C3233 H3234a 2.058(17) . . ? C3233 H3234e 2.058(17) . . ? C3234 C3236 2.508(18) . . ? C3234 H3233a 2.056(17) . . ? C3234 H3233e 2.055(17) . . ? C3234 H3235a 2.006(14) . . ? C3234 H3235e 2.006(16) . . ? C3235 H3234a 2.010(14) . . ? C3235 H3234e 2.009(13) . . ? C3235 H3236a 2.075(14) . . ? C3235 H3236e 2.076(13) . . ? C3236 H3231 2.037(15) . . ? C3236 H3235a 2.070(13) . . ? C3236 H3235e 2.069(14) . . ? H1112a H1112e 1.5514(4) . . ? H1113a H1113e 1.5512(5) . . ? H1114a H1114e 1.5514(5) . . ? H1115a H1115e 1.5513(5) . . ? H1116a H1116e 1.5513(5) . . ? H1122a H1122e 1.5512(10) . . ? H1123a H1123e 1.5513(6) . . ? H1124a H1124e 1.5515(14) . . ? H1125a H1125e 1.5514(10) . . ? H1126a H1126e 1.5512(6) . . ? H1132a H1132e 1.5513(5) . . ? H1133a H1133e 1.5512(6) . . ? H1134a H1134e 1.5511(5) . . ? H1135a H1135e 1.5512(5) . . ? H1136a H1136e 1.5513(6) . . ? H1212a H1212e 1.5513(7) . . ? H1213a H1213e 1.5513(4) . . ? H1214a H1214e 1.5514(11) . . ? H1215a H1215e 1.5513(7) . . ? H1216a H1216e 1.5512(4) . . ? H1222a H1222e 1.5514(5) . . ? H1223a H1223e 1.5512(12) . . ? H1224a H1224e 1.5512(7) . . ? H1225a H1225e 1.5513(5) . . ? H1226a H1226e 1.5512(13) . . ? H1232a H1232e 1.5514(6) . . ? H1233a H1233e 1.5512(4) . . ? H1234a H1234e 1.5513(8) . . ? H1235a H1235e 1.5514(6) . . ? H1236a H1236e 1.5513(4) . . ? H3112a H3112e 1.5515(4) . . ? H3113a H3113e 1.5513(5) . . ? H3114a H3114e 1.5512(7) . . ? H3115a H3115e 1.5515(4) . . ? H3116a H3116e 1.5514(5) . . ? H3122a H3122e 1.5512(9) . . ? H3123a H3123e 1.5513(6) . . ? H3124a H3124e 1.5513(14) . . ? H3125a H3125e 1.5513(9) . . ? H3126a H3126e 1.5513(6) . . ? H3132a H3132e 1.5514(5) . . ? H3133a H3133e 1.5513(7) . . ? H3134a H3134e 1.5512(5) . . ? H3135a H3135e 1.5512(5) . . ? H3136a H3136e 1.5513(7) . . ? H3212a H3212e 1.5513(7) . . ? H3213a H3213e 1.5514(4) . . ? H3214a H3214e 1.5514(12) . . ? H3215a H3215e 1.5513(7) . . ? H3216a H3216e 1.5513(4) . . ? H3222a H3222e 1.5512(5) . . ? H3223a H3223e 1.5513(13) . . ? H3224a H3224e 1.5514(7) . . ? H3225a H3225e 1.5512(5) . . ? H3226a H3226e 1.5514(14) . . ? H3232a H3232e 1.5513(6) . . ? H3233a H3233e 1.5513(4) . . ? H3234a H3234e 1.5514(7) . . ? H3235a H3235e 1.5511(6) . . ? H3236a H3236e 1.5513(4) . . ? loop_ _geom_angle_atom_site_label_1 #ActaC _geom_angle_atom_site_label_2 #ActaC _geom_angle_atom_site_label_3 #ActaC _geom_angle #ActaC _geom_angle_site_symmetry_1 #ActaC _geom_angle_site_symmetry_2 #ActaC _geom_angle_site_symmetry_3 #ActaC _geom_angle_publ_flag #ActaC N1 Ag1 N2 99.8(5) . . 1_554 ? N1 Ag1 P11 99.6(3) . . . ? N1 Ag1 P12 108.3(3) . . . ? N2 Ag1 P11 97.0(3) 1_554 . . ? N2 Ag1 P12 93.5(3) 1_554 . . ? P11 Ag1 P12 147.91(13) . . . ? C1 Ag2 C2 174.5(6) . . . ? Ag2 C1 N1 166.9(14) . . . ? Ag1 N1 C1 168.0(11) . . . ? Ag2 C2 N2 177.4(12) . . . ? Ag1 N2 C2 118.8(12) . 1_554 1_554 ? Ag1 P11 C1111 115.6(4) . . . ? Ag1 P11 C1121 109.1(5) . . . ? Ag1 P11 C1131 112.3(4) . . . ? C1111 P11 C1121 105.6(6) . . . ? C1111 P11 C1131 107.3(7) . . . ? C1121 P11 C1131 106.2(6) . . . ? P11 C1111 C1112 112.7(10) . . . ? P11 C1111 C1116 119.0(10) . . . ? P11 C1111 H1111 101.0(11) . . . ? C1112 C1111 C1116 114.1(14) . . . ? C1112 C1111 H1111 108.5(15) . . . ? C1116 C1111 H1111 99.1(13) . . . ? C1111 C1112 C1113 116.0(14) . . . ? C1111 C1112 H1112a 107.9(16) . . . ? C1111 C1112 H1112e 107.7(16) . . . ? C1113 C1112 H1112a 108.2(16) . . . ? C1113 C1112 H1112e 107.5(16) . . . ? H1112a C1112 H1112e 109.5(16) . . . ? C1112 C1113 C1114 110.9(14) . . . ? C1112 C1113 H1113a 109.4(16) . . . ? C1112 C1113 H1113e 108.8(14) . . . ? C1114 C1113 H1113a 109.4(16) . . . ? C1114 C1113 H1113e 108.7(16) . . . ? H1113a C1113 H1113e 109.6(15) . . . ? C1113 C1114 C1115 117.6(17) . . . ? C1113 C1114 H1114a 108.0(17) . . . ? C1113 C1114 H1114e 107.3(18) . . . ? C1115 C1114 H1114a 107(2) . . . ? C1115 C1114 H1114e 106.9(18) . . . ? H1114a C1114 H1114e 109.6(19) . . . ? C1114 C1115 C1116 115.7(16) . . . ? C1114 C1115 H1115a 108(2) . . . ? C1114 C1115 H1115e 108(2) . . . ? C1116 C1115 H1115a 107.8(18) . . . ? C1116 C1115 H1115e 107.8(19) . . . ? H1115a C1115 H1115e 110(2) . . . ? C1111 C1116 C1115 109.7(14) . . . ? C1111 C1116 H1116a 109.3(14) . . . ? C1111 C1116 H1116e 109.5(16) . . . ? C1115 C1116 H1116a 109.3(17) . . . ? C1115 C1116 H1116e 109.3(14) . . . ? H1116a C1116 H1116e 109.6(16) . . . ? P11 C1121 C1122 116.0(11) . . . ? P11 C1121 C1126 112.4(9) . . . ? P11 C1121 H1121 103.8(9) . . . ? C1122 C1121 C1126 114.4(12) . . . ? C1122 C1121 H1121 101.9(11) . . . ? C1126 C1121 H1121 106.8(13) . . . ? C1121 C1122 C1123 107.6(14) . . . ? C1121 C1122 H1122a 109.7(13) . . . ? C1121 C1122 H1122e 109.9(14) . . . ? C1123 C1122 H1122a 110.1(15) . . . ? C1123 C1122 H1122e 109.8(14) . . . ? H1122a C1122 H1122e 109.7(18) . . . ? C1122 C1123 C1124 116.6(15) . . . ? C1122 C1123 H1123a 107.7(16) . . . ? C1122 C1123 H1123e 107.0(18) . . . ? C1124 C1123 H1123a 108.3(19) . . . ? C1124 C1123 H1123e 107.7(17) . . . ? H1123a C1123 H1123e 109.5(18) . . . ? C1123 C1124 C1125 113.1(14) . . . ? C1123 C1124 H1124a 108.5(18) . . . ? C1123 C1124 H1124e 107.8(17) . . . ? C1125 C1124 H1124a 109.1(16) . . . ? C1125 C1124 H1124e 108.6(18) . . . ? H1124a C1124 H1124e 109.6(16) . . . ? C1124 C1125 C1126 113.3(15) . . . ? C1124 C1125 H1125a 108.7(15) . . . ? C1124 C1125 H1125e 108.2(14) . . . ? C1126 C1125 H1125a 108.6(13) . . . ? C1126 C1125 H1125e 108.3(14) . . . ? H1125a C1125 H1125e 109.8(18) . . . ? C1121 C1126 C1125 113.5(12) . . . ? C1121 C1126 H1126a 108.4(14) . . . ? C1121 C1126 H1126e 108.3(12) . . . ? C1125 C1126 H1126a 108.7(13) . . . ? C1125 C1126 H1126e 108.2(14) . . . ? H1126a C1126 H1126e 109.7(14) . . . ? P11 C1131 C1132 109.3(11) . . . ? P11 C1131 C1136 112.9(9) . . . ? P11 C1131 H1131 106.3(10) . . . ? C1132 C1131 C1136 106.9(11) . . . ? C1132 C1131 H1131 112.5(12) . . . ? C1136 C1131 H1131 109.0(14) . . . ? C1131 C1132 C1133 113.9(14) . . . ? C1131 C1132 H1132a 108.4(12) . . . ? C1131 C1132 H1132e 108.2(13) . . . ? C1133 C1132 H1132a 108.6(14) . . . ? C1133 C1132 H1132e 108.2(13) . . . ? H1132a C1132 H1132e 109.5(17) . . . ? C1132 C1133 C1134 112.0(13) . . . ? C1132 C1133 H1133a 109.0(14) . . . ? C1132 C1133 H1133e 108.3(17) . . . ? C1134 C1133 H1133a 109.4(17) . . . ? C1134 C1133 H1133e 108.4(14) . . . ? H1133a C1133 H1133e 109.7(15) . . . ? C1133 C1134 C1135 111.9(13) . . . ? C1133 C1134 H1134a 109.6(17) . . . ? C1133 C1134 H1134e 108.5(14) . . . ? C1135 C1134 H1134a 109.1(15) . . . ? C1135 C1134 H1134e 108.1(17) . . . ? H1134a C1134 H1134e 109.5(16) . . . ? C1134 C1135 C1136 109.2(16) . . . ? C1134 C1135 H1135a 110.0(15) . . . ? C1134 C1135 H1135e 109.2(15) . . . ? C1136 C1135 H1135a 109.8(15) . . . ? C1136 C1135 H1135e 108.9(15) . . . ? H1135a C1135 H1135e 110(2) . . . ? C1131 C1136 C1135 113.6(12) . . . ? C1131 C1136 H1136a 108.5(15) . . . ? C1131 C1136 H1136e 108.1(12) . . . ? C1135 C1136 H1136a 108.8(14) . . . ? C1135 C1136 H1136e 108.2(16) . . . ? H1136a C1136 H1136e 109.6(14) . . . ? Ag1 P12 C1211 112.7(4) . . . ? Ag1 P12 C1221 108.7(4) . . . ? Ag1 P12 C1231 116.5(4) . . . ? C1211 P12 C1221 107.6(6) . . . ? C1211 P12 C1231 105.6(5) . . . ? C1221 P12 C1231 105.2(5) . . . ? P12 C1211 C1212 110.9(8) . . . ? P12 C1211 C1216 117.3(8) . . . ? P12 C1211 H1211 102.8(9) . . . ? C1212 C1211 C1216 110.7(10) . . . ? C1212 C1211 H1211 111.0(11) . . . ? C1216 C1211 H1211 103.5(10) . . . ? C1211 C1212 C1213 112.3(11) . . . ? C1211 C1212 H1212a 108.7(10) . . . ? C1211 C1212 H1212e 108.7(12) . . . ? C1213 C1212 H1212a 108.9(12) . . . ? C1213 C1212 H1212e 108.7(11) . . . ? H1212a C1212 H1212e 109.5(13) . . . ? C1212 C1213 C1214 113.2(10) . . . ? C1212 C1213 H1213a 108.5(12) . . . ? C1212 C1213 H1213e 108.2(13) . . . ? C1214 C1213 H1213a 108.8(13) . . . ? C1214 C1213 H1213e 108.6(13) . . . ? H1213a C1213 H1213e 109.6(12) . . . ? C1213 C1214 C1215 109.7(11) . . . ? C1213 C1214 H1214a 109.5(13) . . . ? C1213 C1214 H1214e 109.1(12) . . . ? C1215 C1214 H1214a 109.6(12) . . . ? C1215 C1214 H1214e 109.4(13) . . . ? H1214a C1214 H1214e 109.5(14) . . . ? C1214 C1215 C1216 111.2(11) . . . ? C1214 C1215 H1215a 109.4(12) . . . ? C1214 C1215 H1215e 109.2(12) . . . ? C1216 C1215 H1215a 108.9(12) . . . ? C1216 C1215 H1215e 108.8(12) . . . ? H1215a C1215 H1215e 109.3(13) . . . ? C1211 C1216 C1215 113.1(10) . . . ? C1211 C1216 H1216a 108.4(11) . . . ? C1211 C1216 H1216e 108.6(11) . . . ? C1215 C1216 H1216a 108.5(11) . . . ? C1215 C1216 H1216e 108.7(12) . . . ? H1216a C1216 H1216e 109.4(12) . . . ? P12 C1221 C1222 111.8(8) . . . ? P12 C1221 C1226 119.5(9) . . . ? P12 C1221 H1221 99.3(10) . . . ? C1222 C1221 C1226 108.2(11) . . . ? C1222 C1221 H1221 113.3(11) . . . ? C1226 C1221 H1221 104.3(10) . . . ? C1221 C1222 C1223 112.6(11) . . . ? C1221 C1222 H1222a 108.5(12) . . . ? C1221 C1222 H1222e 108.6(14) . . . ? C1223 C1222 H1222a 108.6(15) . . . ? C1223 C1222 H1222e 108.8(13) . . . ? H1222a C1222 H1222e 109.6(13) . . . ? C1222 C1223 C1224 113.7(13) . . . ? C1222 C1223 H1223a 108.2(16) . . . ? C1222 C1223 H1223e 108.0(13) . . . ? C1224 C1223 H1223a 108.8(13) . . . ? C1224 C1223 H1223e 108.6(16) . . . ? H1223a C1223 H1223e 109.4(15) . . . ? C1223 C1224 C1225 110.6(14) . . . ? C1223 C1224 H1224a 109.3(13) . . . ? C1223 C1224 H1224e 108.8(14) . . . ? C1225 C1224 H1224a 109.6(14) . . . ? C1225 C1224 H1224e 109.1(13) . . . ? H1224a C1224 H1224e 109.5(18) . . . ? C1224 C1225 C1226 112.7(12) . . . ? C1224 C1225 H1225a 109.0(14) . . . ? C1224 C1225 H1225e 108.5(15) . . . ? C1226 C1225 H1225a 108.7(14) . . . ? C1226 C1225 H1225e 108.3(13) . . . ? H1225a C1225 H1225e 109.6(14) . . . ? C1221 C1226 C1225 111.7(10) . . . ? C1221 C1226 H1226a 108.7(12) . . . ? C1221 C1226 H1226e 108.8(11) . . . ? C1225 C1226 H1226a 108.9(12) . . . ? C1225 C1226 H1226e 109.1(13) . . . ? H1226a C1226 H1226e 109.6(12) . . . ? P12 C1231 C1232 107.6(9) . . . ? P12 C1231 C1236 110.7(8) . . . ? P12 C1231 H1231 110.7(10) . . . ? C1232 C1231 C1236 112.4(11) . . . ? C1232 C1231 H1231 109.3(10) . . . ? C1236 C1231 H1231 106.2(11) . . . ? C1231 C1232 C1233 110.7(11) . . . ? C1231 C1232 H1232a 109.0(11) . . . ? C1231 C1232 H1232e 109.1(12) . . . ? C1233 C1232 H1232a 109.3(12) . . . ? C1233 C1232 H1232e 109.1(11) . . . ? H1232a C1232 H1232e 109.6(13) . . . ? C1232 C1233 C1234 109.7(11) . . . ? C1232 C1233 H1233a 109.6(14) . . . ? C1232 C1233 H1233e 109.3(14) . . . ? C1234 C1233 H1233a 109.5(15) . . . ? C1234 C1233 H1233e 109.1(15) . . . ? H1233a C1233 H1233e 109.7(13) . . . ? C1233 C1234 C1235 111.1(13) . . . ? C1233 C1234 H1234a 109.2(15) . . . ? C1233 C1234 H1234e 108.8(13) . . . ? C1235 C1234 H1234a 109.2(13) . . . ? C1235 C1234 H1234e 108.9(15) . . . ? H1234a C1234 H1234e 109.5(16) . . . ? C1234 C1235 C1236 111.4(12) . . . ? C1234 C1235 H1235a 109.2(13) . . . ? C1234 C1235 H1235e 108.9(14) . . . ? C1236 C1235 H1235a 109.0(13) . . . ? C1236 C1235 H1235e 108.8(12) . . . ? H1235a C1235 H1235e 109.4(14) . . . ? C1231 C1236 C1235 110.5(11) . . . ? C1231 C1236 H1236a 109.1(12) . . . ? C1231 C1236 H1236e 109.3(12) . . . ? C1235 C1236 H1236a 109.1(12) . . . ? C1235 C1236 H1236e 109.3(12) . . . ? H1236a C1236 H1236e 109.5(13) . . . ? N3 Ag3 N4 99.9(4) . . 1_556 ? N3 Ag3 P31 98.4(3) . . . ? N3 Ag3 P32 108.7(3) . . . ? N4 Ag3 P31 94.8(2) 1_556 . . ? N4 Ag3 P32 94.3(3) 1_556 . . ? P31 Ag3 P32 149.40(13) . . . ? C3 Ag4 C4 176.0(6) . . . ? Ag4 C3 N3 169.2(13) . . . ? Ag3 N3 C3 171.1(12) . . . ? Ag4 C4 N4 176.2(11) . . . ? Ag3 N4 C4 121.0(10) . 1_556 1_556 ? Ag3 P31 C3111 114.1(4) . . . ? Ag3 P31 C3121 108.3(4) . . . ? Ag3 P31 C3131 113.2(4) . . . ? C3111 P31 C3121 106.8(6) . . . ? C3111 P31 C3131 109.2(7) . . . ? C3121 P31 C3131 104.7(6) . . . ? P31 C3111 C3112 109.7(9) . . . ? P31 C3111 C3116 118.9(11) . . . ? P31 C3111 H3111 103.8(10) . . . ? C3112 C3111 C3116 113.6(12) . . . ? C3112 C3111 H3111 110.8(13) . . . ? C3116 C3111 H3111 98.8(13) . . . ? C3111 C3112 C3113 110.3(11) . . . ? C3111 C3112 H3112a 109.3(13) . . . ? C3111 C3112 H3112e 109.2(13) . . . ? C3113 C3112 H3112a 109.6(13) . . . ? C3113 C3112 H3112e 109.2(13) . . . ? H3112a C3112 H3112e 109.4(13) . . . ? C3112 C3113 C3114 111.6(14) . . . ? C3112 C3113 H3113a 109.1(14) . . . ? C3112 C3113 H3113e 108.9(14) . . . ? C3114 C3113 H3113a 109.0(15) . . . ? C3114 C3113 H3113e 108.7(16) . . . ? H3113a C3113 H3113e 109.5(17) . . . ? C3113 C3114 C3115 111.7(15) . . . ? C3113 C3114 H3114a 109.1(16) . . . ? C3113 C3114 H3114e 108.7(17) . . . ? C3115 C3114 H3114a 109.3(17) . . . ? C3115 C3114 H3114e 108.5(16) . . . ? H3114a C3114 H3114e 109.7(17) . . . ? C3114 C3115 C3116 109.1(14) . . . ? C3114 C3115 H3115a 110.2(17) . . . ? C3114 C3115 H3115e 109.4(17) . . . ? C3116 C3115 H3115a 109.6(16) . . . ? C3116 C3115 H3115e 108.9(17) . . . ? H3115a C3115 H3115e 109.7(17) . . . ? C3111 C3116 C3115 110.1(14) . . . ? C3111 C3116 H3116a 109.5(15) . . . ? C3111 C3116 H3116e 109.4(16) . . . ? C3115 C3116 H3116a 109.3(16) . . . ? C3115 C3116 H3116e 108.9(16) . . . ? H3116a C3116 H3116e 109.6(18) . . . ? P31 C3121 C3122 118.2(9) . . . ? P31 C3121 C3126 112.6(9) . . . ? P31 C3121 H3121 100.4(8) . . . ? C3122 C3121 C3126 110.4(10) . . . ? C3122 C3121 H3121 103.4(11) . . . ? C3126 C3121 H3121 110.6(12) . . . ? C3121 C3122 C3123 109.0(12) . . . ? C3121 C3122 H3122a 109.6(13) . . . ? C3121 C3122 H3122e 109.6(11) . . . ? C3123 C3122 H3122a 109.6(12) . . . ? C3123 C3122 H3122e 109.5(14) . . . ? H3122a C3122 H3122e 109.6(15) . . . ? C3122 C3123 C3124 114.4(13) . . . ? C3122 C3123 H3123a 108.2(14) . . . ? C3122 C3123 H3123e 108.1(15) . . . ? C3124 C3123 H3123a 108.4(16) . . . ? C3124 C3123 H3123e 108.3(15) . . . ? H3123a C3123 H3123e 109.5(16) . . . ? C3123 C3124 C3125 112.1(12) . . . ? C3123 C3124 H3124a 108.9(15) . . . ? C3123 C3124 H3124e 108.8(14) . . . ? C3125 C3124 H3124a 108.9(14) . . . ? C3125 C3124 H3124e 108.6(14) . . . ? H3124a C3124 H3124e 109.5(14) . . . ? C3124 C3125 C3126 110.6(13) . . . ? C3124 C3125 H3125a 109.2(13) . . . ? C3124 C3125 H3125e 109.1(13) . . . ? C3126 C3125 H3125a 109.2(12) . . . ? C3126 C3125 H3125e 108.9(13) . . . ? H3125a C3125 H3125e 109.8(16) . . . ? C3121 C3126 C3125 112.9(12) . . . ? C3121 C3126 H3126a 108.6(13) . . . ? C3121 C3126 H3126e 108.5(12) . . . ? C3125 C3126 H3126a 108.8(12) . . . ? C3125 C3126 H3126e 108.3(13) . . . ? H3126a C3126 H3126e 109.6(14) . . . ? P31 C3131 C3132 108.8(11) . . . ? P31 C3131 C3136 113.4(11) . . . ? P31 C3131 H3131 107.0(10) . . . ? C3132 C3131 C3136 109.2(11) . . . ? C3132 C3131 H3131 111.4(13) . . . ? C3136 C3131 H3131 107.0(13) . . . ? C3131 C3132 C3133 109.7(13) . . . ? C3131 C3132 H3132a 109.2(14) . . . ? C3131 C3132 H3132e 109.3(12) . . . ? C3133 C3132 H3132a 109.5(13) . . . ? C3133 C3132 H3132e 109.3(15) . . . ? H3132a C3132 H3132e 109.7(17) . . . ? C3132 C3133 C3134 111.5(15) . . . ? C3132 C3133 H3133a 109.2(14) . . . ? C3132 C3133 H3133e 108.6(16) . . . ? C3134 C3133 H3133a 109.2(17) . . . ? C3134 C3133 H3133e 108.7(14) . . . ? H3133a C3133 H3133e 109.6(18) . . . ? C3133 C3134 C3135 109.8(14) . . . ? C3133 C3134 H3134a 109.5(18) . . . ? C3133 C3134 H3134e 108.8(18) . . . ? C3135 C3134 H3134a 110.0(19) . . . ? C3135 C3134 H3134e 109.2(18) . . . ? H3134a C3134 H3134e 109.5(16) . . . ? C3134 C3135 C3136 111.1(16) . . . ? C3134 C3135 H3135a 109.5(19) . . . ? C3134 C3135 H3135e 108.8(15) . . . ? C3136 C3135 H3135a 109.1(15) . . . ? C3136 C3135 H3135e 108.7(18) . . . ? H3135a C3135 H3135e 110(2) . . . ? C3131 C3136 C3135 114.3(14) . . . ? C3131 C3136 H3136a 108.4(15) . . . ? C3131 C3136 H3136e 108.1(13) . . . ? C3135 C3136 H3136a 108.4(14) . . . ? C3135 C3136 H3136e 108.0(16) . . . ? H3136a C3136 H3136e 109.6(16) . . . ? Ag3 P32 C3211 113.0(4) . . . ? Ag3 P32 C3221 108.2(4) . . . ? Ag3 P32 C3231 116.0(4) . . . ? C3211 P32 C3221 107.2(5) . . . ? C3211 P32 C3231 106.5(5) . . . ? C3221 P32 C3231 105.5(6) . . . ? P32 C3211 C3212 110.4(8) . . . ? P32 C3211 C3216 115.8(8) . . . ? P32 C3211 H3211 104.8(9) . . . ? C3212 C3211 C3216 111.0(10) . . . ? C3212 C3211 H3211 110.3(10) . . . ? C3216 C3211 H3211 104.1(10) . . . ? C3211 C3212 C3213 110.7(11) . . . ? C3211 C3212 H3212a 109.2(11) . . . ? C3211 C3212 H3212e 109.1(12) . . . ? C3213 C3212 H3212a 109.3(12) . . . ? C3213 C3212 H3212e 109.0(12) . . . ? H3212a C3212 H3212e 109.5(13) . . . ? C3212 C3213 C3214 113.2(11) . . . ? C3212 C3213 H3213a 108.6(13) . . . ? C3212 C3213 H3213e 108.5(13) . . . ? C3214 C3213 H3213a 108.4(13) . . . ? C3214 C3213 H3213e 108.4(13) . . . ? H3213a C3213 H3213e 109.7(14) . . . ? C3213 C3214 C3215 110.7(12) . . . ? C3213 C3214 H3214a 109.0(13) . . . ? C3213 C3214 H3214e 108.8(12) . . . ? C3215 C3214 H3214a 109.4(12) . . . ? C3215 C3214 H3214e 109.2(13) . . . ? H3214a C3214 H3214e 109.6(14) . . . ? C3214 C3215 C3216 110.9(11) . . . ? C3214 C3215 H3215a 109.4(13) . . . ? C3214 C3215 H3215e 109.0(13) . . . ? C3216 C3215 H3215a 109.1(12) . . . ? C3216 C3215 H3215e 108.9(13) . . . ? H3215a C3215 H3215e 109.4(13) . . . ? C3211 C3216 C3215 112.2(11) . . . ? C3211 C3216 H3216a 108.9(11) . . . ? C3211 C3216 H3216e 108.8(11) . . . ? C3215 C3216 H3216a 108.8(12) . . . ? C3215 C3216 H3216e 108.6(12) . . . ? H3216a C3216 H3216e 109.5(13) . . . ? P32 C3221 C3222 110.9(9) . . . ? P32 C3221 C3226 118.5(9) . . . ? P32 C3221 H3221 101.6(9) . . . ? C3222 C3221 C3226 110.3(11) . . . ? C3222 C3221 H3221 111.8(11) . . . ? C3226 C3221 H3221 103.0(10) . . . ? C3221 C3222 C3223 111.4(12) . . . ? C3221 C3222 H3222a 108.9(12) . . . ? C3221 C3222 H3222e 109.0(13) . . . ? C3223 C3222 H3222a 108.9(14) . . . ? C3223 C3222 H3222e 108.9(13) . . . ? H3222a C3222 H3222e 109.7(15) . . . ? C3222 C3223 C3224 113.8(13) . . . ? C3222 C3223 H3223a 108.5(15) . . . ? C3222 C3223 H3223e 108.4(14) . . . ? C3224 C3223 H3223a 108.4(14) . . . ? C3224 C3223 H3223e 108.3(15) . . . ? H3223a C3223 H3223e 109.5(15) . . . ? C3223 C3224 C3225 110.9(13) . . . ? C3223 C3224 H3224a 109.2(13) . . . ? C3223 C3224 H3224e 109.1(14) . . . ? C3225 C3224 H3224a 109.2(14) . . . ? C3225 C3224 H3224e 109.0(13) . . . ? H3224a C3224 H3224e 109.4(17) . . . ? C3224 C3225 C3226 113.6(13) . . . ? C3224 C3225 H3225a 108.4(13) . . . ? C3224 C3225 H3225e 108.3(13) . . . ? C3226 C3225 H3225a 108.5(13) . . . ? C3226 C3225 H3225e 108.3(13) . . . ? H3225a C3225 H3225e 109.7(14) . . . ? C3221 C3226 C3225 111.6(11) . . . ? C3221 C3226 H3226a 108.9(12) . . . ? C3221 C3226 H3226e 108.9(12) . . . ? C3225 C3226 H3226a 109.1(12) . . . ? C3225 C3226 H3226e 108.8(12) . . . ? H3226a C3226 H3226e 109.6(13) . . . ? P32 C3231 C3232 109.4(9) . . . ? P32 C3231 C3236 110.3(9) . . . ? P32 C3231 H3231 109.4(9) . . . ? C3232 C3231 C3236 111.9(10) . . . ? C3232 C3231 H3231 108.3(11) . . . ? C3236 C3231 H3231 107.4(11) . . . ? C3231 C3232 C3233 111.1(11) . . . ? C3231 C3232 H3232a 108.9(12) . . . ? C3231 C3232 H3232e 108.8(12) . . . ? C3233 C3232 H3232a 109.3(12) . . . ? C3233 C3232 H3232e 109.0(13) . . . ? H3232a C3232 H3232e 109.6(13) . . . ? C3232 C3233 C3234 109.9(12) . . . ? C3232 C3233 H3233a 109.5(12) . . . ? C3232 C3233 H3233e 109.1(13) . . . ? C3234 C3233 H3233a 109.5(14) . . . ? C3234 C3233 H3233e 109.3(13) . . . ? H3233a C3233 H3233e 109.5(14) . . . ? C3233 C3234 C3235 109.2(12) . . . ? C3233 C3234 H3234a 109.7(15) . . . ? C3233 C3234 H3234e 109.5(13) . . . ? C3235 C3234 H3234a 109.7(13) . . . ? C3235 C3234 H3234e 109.4(14) . . . ? H3234a C3234 H3234e 109.5(14) . . . ? C3234 C3235 C3236 111.2(12) . . . ? C3234 C3235 H3235a 109.3(14) . . . ? C3234 C3235 H3235e 109.2(13) . . . ? C3236 C3235 H3235a 108.9(13) . . . ? C3236 C3235 H3235e 108.8(13) . . . ? H3235a C3235 H3235e 109.5(15) . . . ? C3231 C3236 C3235 109.8(11) . . . ? C3231 C3236 H3236a 109.3(12) . . . ? C3231 C3236 H3236e 109.3(12) . . . ? C3235 C3236 H3236a 109.4(12) . . . ? C3235 C3236 H3236e 109.4(12) . . . ? H3236a C3236 H3236e 109.6(14) . . . ? loop_ _geom_torsion_atom_site_label_1 #ActaC _geom_torsion_atom_site_label_2 #ActaC _geom_torsion_atom_site_label_3 #ActaC _geom_torsion_atom_site_label_4 #ActaC _geom_torsion #ActaC _geom_torsion_site_symmetry_1 #ActaC _geom_torsion_site_symmetry_2 #ActaC _geom_torsion_site_symmetry_3 #ActaC _geom_torsion_site_symmetry_4 #ActaC _geom_torsion_publ_flag #ActaC ? ? ? ? ? ? ? ? ? ? _reflns_limit_h_min -26 _reflns_limit_h_max 25 _reflns_limit_k_min -19 _reflns_limit_k_max 19 _reflns_limit_l_min 0 _reflns_limit_l_max 11 _reflns_number_total .122350+05 #ActaC _reflns_number_observed 6647 #ActaC _reflns_observed_criterion refl_observed_if_Inet_>_.000_sigma(Inet) _reflns_d_resolution_high .882 _reflns_d_resolution_low 15.172 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 3.6598 #=END