# Copyright The Royal Society of Chemistry, 1998 # Spectroscopic and structural studies on adducts of silver(I) cyanide with ER3 # ligands (E = P, As, Sb) # Graham A. Bowmaker, Effendy, Jason C. Reid, Clifton E.F. Rickard, Brian W. # Skelton and Allan H. White # 8/01085D/DAP #_______________________________________________________________________________ data_cnagpp _audit_creation_date 98-04-05 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common 'AgCN:PPh3:pyridine(1:2:1)' #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 #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 15.335(6) #ActaC _cell_length_b 14.338(5) #ActaC _cell_length_c 13.450(10) #ActaC _cell_angle_alpha 69.30(5) #ActaC _cell_angle_beta 85.56(6) #ActaC _cell_angle_gamma 85.69(3) #ActaC _cell_volume 2754(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 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 1.312 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 ? #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 9653 #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI 0 #ActaC _diffrn_reflns_limit_h_min -18 #ActaC _diffrn_reflns_limit_h_max 18 #ActaC _diffrn_reflns_limit_k_min -15 #ActaC _diffrn_reflns_limit_k_max 17 #ActaC _diffrn_reflns_limit_l_min 0 #ActaC _diffrn_reflns_limit_l_max 15 #ActaC _diffrn_reflns_theta_min 1.52 #ActaC _diffrn_reflns_theta_max 24.97 #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 Ag ? 0 3 -1.085 1.101 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 P ? 0 6 .09 .095 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 N ? 0 6 .004 .003 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 C ? 0 123 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 105 0 0 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 .37691(3) .35860(3) .61866(3) .0573(4) Uani ? ? N1 .4747(5) .4718(6) .5244(6) .057(9) Uani ? ? C1 .4746(7) .4726(9) .5237(9) .069(13) Uani ? ? P1 .22424(9) .42168(11) .54833(11) .0574(13) Uani ? ? C111 .2063(3) .4485(4) .4083(4) .061(5) Uani ? ? C112 .1432(4) .5189(5) .3554(4) .083(6) Uani ? ? C113 .1300(4) .5330(5) .2498(5) .095(7) Uani ? ? C114 .1796(4) .4833(6) .1966(4) .102(7) Uani ? ? C115 .2407(5) .4139(6) .2477(5) .124(9) Uani ? ? C116 .2550(4) .3971(5) .3547(5) .093(7) Uani ? ? C121 .1350(3) .3442(4) .6194(4) .055(5) Uani ? ? C122 .0696(4) .3181(4) .5699(4) .072(6) Uani ? ? C123 .0043(4) .2591(5) .6301(5) .096(7) Uani ? ? C124 .0024(4) .2242(4) .7371(5) .092(7) Uani ? ? C125 .0682(4) .2489(4) .7879(4) .085(6) Uani ? ? C126 .1331(4) .3079(4) .7287(4) .071(5) Uani ? ? C131 .1926(3) .5404(4) .5638(4) .061(5) Uani ? ? C132 .1171(4) .5593(4) .6171(4) .074(6) Uani ? ? C133 .0986(4) .6509(5) .6288(5) .099(7) Uani ? ? C134 .1557(6) .7247(5) .5850(7) .133(10) Uani ? ? C135 .2299(6) .7063(5) .5298(7) .152(11) Uani ? ? C136 .2493(4) .6154(5) .5192(6) .102(7) Uani ? ? P2 .38679(10) .33816(11) .81436(11) .0578(13) Uani ? ? C211 .3619(3) .4462(4) .8553(4) .058(5) Uani ? ? C212 .3041(4) .5195(5) .7990(5) .091(7) Uani ? ? C213 .2784(4) .5998(5) .8324(6) .115(9) Uani ? ? C214 .3104(4) .6076(5) .9185(5) .091(7) Uani ? ? C215 .3702(4) .5370(5) .9739(4) .086(7) Uani ? ? C216 .3961(4) .4569(5) .9428(4) .084(6) Uani ? ? C221 .4970(4) .2964(4) .8603(4) .071(6) Uani ? ? C222 .5657(4) .3456(5) .7951(5) .091(7) Uani ? ? C223 .6508(4) .3165(6) .8252(6) .122(10) Uani ? ? C224 .6670(5) .2416(6) .9178(6) .130(10) Uani ? ? C225 .5992(5) .1932(6) .9812(6) .132(10) Uani ? ? C226 .5138(4) .2199(5) .9537(5) .096(7) Uani ? ? C231 .3179(4) .2438(4) .9066(4) .065(5) Uani ? ? C232 .3106(4) .1558(4) .8885(4) .082(6) Uani ? ? C233 .2568(5) .0850(5) .9524(5) .106(8) Uani ? ? C234 .2078(5) .0990(5) 1.0351(5) .110(8) Uani ? ? C235 .2149(6) .1826(6) 1.0555(6) .133(9) Uani ? ? C236 .2678(5) .2573(5) .9908(5) .102(7) Uani ? ? P3 .42945(9) .19725(11) .58460(11) .0567(13) Uani ? ? C311 .4396(3) .2215(4) .4422(4) .055(5) Uani ? ? C312 .4036(4) .1656(4) .3942(4) .071(6) Uani ? ? C313 .4123(4) .1886(4) .2843(4) .086(6) Uani ? ? C314 .4588(5) .2678(5) .2239(5) .095(7) Uani ? ? C315 .4957(4) .3266(5) .2705(5) .094(7) Uani ? ? C316 .4850(4) .3031(4) .3786(4) .073(6) Uani ? ? C321 .3581(3) .0925(4) .6372(4) .058(5) Uani ? ? C322 .2703(4) .1110(4) .6498(6) .094(7) Uani ? ? C323 .2125(4) .0336(5) .6907(6) .111(8) Uani ? ? C324 .2449(4) -.0625(5) .7224(5) .098(7) Uani ? ? C325 .3318(4) -.0821(4) .7103(5) .096(7) Uani ? ? C326 .3884(4) -.0061(4) .6696(4) .075(6) Uani ? ? C331 .5361(4) .1393(4) .6270(4) .071(6) Uani ? ? C332 .5975(4) .1078(4) .5622(5) .077(6) Uani ? ? C333 .6754(4) .0607(4) .5989(5) .089(7) Uani ? ? C334 .6949(5) .0468(5) .7032(6) .115(9) Uani ? ? C335 .6345(6) .0717(6) .7699(6) .146(11) Uani ? ? C336 .5567(5) .1222(6) .7297(6) .131(10) Uani ? ? Ag2 .00000 .00000 1.00000 .1778(14) Uani ? ? N2 .1227(5) -.1799(7) .9649(7) .232(13) Uani ? ? C2 .0777(5) -.1128(7) .9746(6) .162(10) Uani ? ? N31 .0286(5) .0529(7) .2983(7) .202(12) Uani ? ? C32 .0357(6) .1527(7) .2637(7) .161(11) Uani ? ? C33 .0822(6) .1941(8) .3054(10) .203(16) Uani ? ? C34 .1238(6) .1421(10) .3935(10) .23(2) Uani ? ? C35 .1144(6) .0477(9) .4292(7) .188(15) Uani ? ? C36 .0699(7) .0019(7) .3850(8) .181(13) Uani ? ? N41 .0123(6) .4109(7) .9907(6) .29(4) Uani ? ? C41 .0123(6) .4109(7) .9907(6) .107(15) Uani ? ? C42 .0609(6) .4856(8) .9302(6) .160(12) Uani ? ? C43 .0456(6) .5722(7) .9445(7) .160(12) Uani ? ? H112 .10912 .55722 .39083 .10280 Uiso ? ? H113 .08461 .57888 .21453 .11330 Uiso ? ? H114 .17178 .49694 .12332 .12570 Uiso ? ? H115 .27428 .37619 .21127 .16180 Uiso ? ? H116 .29948 .34960 .38974 .11580 Uiso ? ? H122 .06975 .34098 .49425 .08950 Uiso ? ? H123 -.04064 .24249 .59533 .11700 Uiso ? ? H124 -.04321 .18347 .77756 .10510 Uiso ? ? H125 .06805 .22448 .86358 .10030 Uiso ? ? H126 .17791 .32444 .76398 .08520 Uiso ? ? H132 .07665 .50795 .64678 .09430 Uiso ? ? H133 .04617 .66178 .66686 .12740 Uiso ? ? H134 .14390 .78749 .59347 .17210 Uiso ? ? H135 .26902 .75862 .49766 .18400 Uiso ? ? H136 .30149 .60437 .48105 .11780 Uiso ? ? H212 .28142 .51624 .73671 .12390 Uiso ? ? H213 .23713 .64900 .79392 .16080 Uiso ? ? H214 .29196 .66235 .94030 .12500 Uiso ? ? H215 .39431 .54280 1.03438 .11530 Uiso ? ? H216 .43807 .40828 .98198 .10740 Uiso ? ? H222 .55484 .39841 .72965 .12300 Uiso ? ? H223 .69797 .34992 .78027 .17090 Uiso ? ? H224 .72545 .22325 .93768 .19020 Uiso ? ? H225 .61119 .14096 1.04506 .18160 Uiso ? ? H226 .46737 .18553 .99903 .12480 Uiso ? ? H232 .34330 .14468 .83039 .10210 Uiso ? ? H233 .25373 .02457 .93906 .12940 Uiso ? ? H234 .16912 .04969 1.07811 .12800 Uiso ? ? H235 .18294 .19132 1.11543 .16520 Uiso ? ? H236 .26959 .31815 1.00442 .12920 Uiso ? ? H312 .37147 .10960 .43683 .09000 Uiso ? ? H313 .38629 .14900 .25217 .11090 Uiso ? ? H314 .46578 .28351 .14891 .11680 Uiso ? ? H315 .52810 .38237 .22814 .11420 Uiso ? ? H316 .50924 .34399 .41061 .09590 Uiso ? ? H322 .24773 .17822 .63112 .11880 Uiso ? ? H323 .15131 .04816 .69617 .14320 Uiso ? ? H324 .20652 -.11578 .75326 .12320 Uiso ? ? H325 .35457 -.14949 .73003 .11350 Uiso ? ? H326 .44952 -.02172 .66343 .08980 Uiso ? ? H332 .58475 .11934 .49050 .09440 Uiso ? ? H333 .71584 .03751 .55441 .11090 Uiso ? ? H334 .75096 .01959 .72754 .15170 Uiso ? ? H335 .64545 .05517 .84289 .20250 Uiso ? ? H336 .51674 .14523 .77476 .17980 Uiso ? ? H32 .00346 .19370 .20405 .13950 Uiso ? ? H33 .08866 .26417 .27432 .27760 Uiso ? ? H34 .15805 .17299 .42775 .33530 Uiso ? ? H35 .14214 .00880 .49237 .24090 Uiso ? ? H36 .06665 -.06854 .41462 .21730 Uiso ? ? H41 .02102 .34673 .98492 .19750 Uiso ? ? H42 .10466 .47679 .87961 .18550 Uiso ? ? H43 .08079 .62672 .90282 .13200 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 .0587(3) .0660(3) .0534(3) .0014(2) -.00916(19) -.0283(2) N1 .073(7) .041(6) .059(6) -.021(4) -.017(5) -.014(5) C1 .052(9) .105(12) .060(8) .001(7) .020(6) -.045(8) P1 .0499(9) .0680(10) .0520(8) .0032(7) -.0095(7) -.0183(7) C111 .047(3) .085(4) .049(3) .005(3) -.009(2) -.021(3) C112 .073(4) .115(5) .060(4) .027(4) -.019(3) -.031(4) C113 .072(4) .137(6) .063(4) .020(4) -.024(3) -.020(4) C114 .086(5) .166(7) .049(4) .004(5) -.015(3) -.033(4) C115 .125(6) .188(8) .075(5) .056(6) -.025(4) -.074(5) C116 .079(5) .127(6) .072(4) .038(4) -.021(3) -.038(4) C121 .048(3) .053(3) .060(3) .004(3) -.011(3) -.016(3) C122 .080(4) .074(4) .062(4) -.012(3) -.017(3) -.018(3) C123 .084(5) .106(5) .092(5) -.036(4) -.022(4) -.018(4) C124 .080(5) .078(5) .096(5) -.023(4) -.006(4) .002(4) C125 .098(5) .086(5) .057(4) -.008(4) -.015(3) -.004(3) C126 .071(4) .079(4) .057(3) -.014(3) -.014(3) -.012(3) C131 .059(4) .066(4) .054(3) -.004(3) -.016(3) -.013(3) C132 .074(4) .080(4) .073(4) .000(3) -.015(3) -.033(3) C133 .116(6) .089(5) .104(5) .029(4) -.033(4) -.053(4) C134 .184(8) .062(5) .167(8) .017(5) -.076(6) -.048(5) C135 .162(8) .071(5) .208(10) -.038(5) -.027(7) -.020(6) C136 .085(5) .077(5) .122(6) -.013(4) -.003(4) -.007(4) P2 .0644(10) .0688(10) .0468(8) -.0036(8) -.0101(7) -.0266(7) C211 .064(4) .070(4) .048(3) -.007(3) -.006(3) -.028(3) C212 .098(5) .098(5) .102(5) .013(4) -.044(4) -.059(4) C213 .099(5) .122(6) .168(7) .039(5) -.071(5) -.099(6) C214 .081(5) .107(5) .113(5) -.002(4) -.006(4) -.075(4) C215 .108(5) .105(5) .064(4) -.018(4) -.005(4) -.053(4) C216 .108(5) .098(5) .054(4) -.000(4) -.023(3) -.034(3) C221 .072(4) .091(4) .070(4) .016(3) -.028(3) -.049(3) C222 .061(4) .119(6) .116(5) .001(4) -.016(4) -.067(5) C223 .082(5) .170(8) .156(7) .010(5) -.021(5) -.108(6) C224 .111(6) .164(7) .172(8) .055(5) -.076(6) -.128(6) C225 .141(7) .167(8) .134(7) .057(6) -.075(5) -.107(6) C226 .118(6) .102(5) .084(5) .027(4) -.053(4) -.050(4) C231 .078(4) .070(4) .046(3) -.007(3) -.014(3) -.015(3) C232 .106(5) .076(4) .065(4) -.013(4) -.009(4) -.022(3) C233 .138(7) .073(5) .101(5) -.024(4) -.024(5) -.015(4) C234 .122(6) .114(6) .071(4) -.041(5) -.016(4) .005(4) C235 .179(8) .133(7) .089(5) -.061(6) .046(5) -.041(5) C236 .141(7) .103(5) .069(4) -.040(5) .028(4) -.037(4) P3 .0614(9) .0581(9) .0577(9) .0041(7) -.0086(7) -.0295(7) C311 .060(3) .050(3) .058(3) .007(3) -.004(3) -.024(3) C312 .094(5) .062(4) .060(4) -.009(3) -.002(3) -.024(3) C313 .127(6) .074(4) .066(4) -.001(4) -.013(4) -.034(3) C314 .136(6) .082(5) .064(4) .005(4) .006(4) -.026(4) C315 .112(6) .081(5) .080(5) -.016(4) .031(4) -.024(4) C316 .083(4) .072(4) .076(4) -.014(3) .009(3) -.039(3) C321 .069(4) .059(4) .049(3) -.001(3) -.002(3) -.024(3) C322 .075(4) .067(4) .144(6) .001(4) -.007(4) -.044(4) C323 .071(5) .098(5) .178(8) -.021(4) .007(5) -.065(5) C324 .106(6) .084(5) .107(5) -.029(4) .018(4) -.036(4) C325 .116(6) .058(4) .100(5) .001(4) .015(4) -.014(4) C326 .076(4) .064(4) .077(4) .002(3) .008(3) -.019(3) C331 .079(4) .063(4) .082(4) .010(3) -.028(3) -.038(3) C332 .060(4) .074(4) .094(5) -.005(3) -.009(3) -.025(4) C333 .067(4) .068(4) .132(6) .001(3) -.006(4) -.036(4) C334 .097(5) .102(6) .165(7) .016(4) -.061(5) -.063(5) C335 .173(8) .155(7) .161(7) .085(6) -.107(6) -.118(6) C336 .147(7) .159(7) .127(6) .093(6) -.085(5) -.103(6) Ag2 .1395(9) .2433(13) .0989(7) -.1008(9) -.0345(6) .0280(8) N2 .126(7) .290(11) .194(9) -.058(7) -.033(6) .037(8) C2 .088(6) .217(10) .116(7) -.054(6) -.025(5) .034(6) N31 .132(7) .275(10) .207(9) -.051(7) .038(6) -.095(8) C32 .132(8) .175(9) .133(8) .007(7) .011(6) -.007(7) C33 .144(9) .184(10) .342(15) -.023(7) .034(9) -.173(11) C34 .122(8) .373(17) .313(15) -.007(9) .013(9) -.271(14) C35 .135(8) .290(13) .156(9) .041(8) -.049(7) -.101(9) C36 .198(11) .116(7) .207(11) -.010(7) -.007(8) -.029(7) N41 .22(2) .46(4) .22(2) .15(2) -.003(16) -.19(2) C41 .146(13) .091(10) .086(10) -.007(9) -.048(9) -.026(8) C42 .128(7) .247(11) .102(6) .039(7) .003(5) -.068(7) C43 .137(8) .159(9) .148(8) .000(6) .011(6) -.016(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 0(34) #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 5809 #ActaC _refine_ls_number_parameters 654 #ActaC _refine_ls_number_restraints 0 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .083 #ActaC _refine_ls_R_factor_obs .046 #ActaC _refine_ls_wR_factor_all .062 #ActaC _refine_ls_wR_factor_obs .048 #ActaC _refine_ls_goodness_of_fit_all 1.882 #ActaC _refine_ls_goodness_of_fit_obs 1.93 #ActaC _refine_ls_shift/esd_max .178 #ActaC _refine_ls_shift/esd_mean .003 #ActaC _refine_diff_density_min -.376 #ActaC _refine_diff_density_max .608 #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 2.260(8) . . ? Ag1 C1 2.268(11) . . ? Ag1 P1 2.5718(17) . . ? Ag1 P2 2.559(2) . . ? Ag1 P3 2.5734(19) . . ? N1 N1 1.151(11) . 2_666 ? P1 C111 1.823(6) . . ? P1 C121 1.815(5) . . ? P1 C131 1.813(6) . . ? C111 C112 1.384(7) . . ? C111 C116 1.353(9) . . ? C112 C113 1.391(9) . . ? C112 H112 .952(7) . . ? C113 C114 1.338(10) . . ? C113 H113 .951(6) . . ? C114 C115 1.348(9) . . ? C114 H114 .950(6) . . ? C115 C116 1.404(10) . . ? C115 H115 .951(9) . . ? C116 H116 .951(6) . . ? C121 C122 1.388(8) . . ? C121 C126 1.374(7) . . ? C122 C123 1.375(8) . . ? C122 H122 .952(5) . . ? C123 C124 1.345(9) . . ? C123 H123 .951(7) . . ? C124 C125 1.393(10) . . ? C124 H124 .951(6) . . ? C125 C126 1.367(8) . . ? C125 H125 .952(5) . . ? C126 H126 .953(6) . . ? C131 C132 1.374(8) . . ? C131 C136 1.369(8) . . ? C132 C133 1.383(10) . . ? C132 H132 .953(6) . . ? C133 C134 1.362(10) . . ? C133 H133 .952(7) . . ? C134 C135 1.370(12) . . ? C134 H134 .950(8) . . ? C135 C136 1.369(11) . . ? C135 H135 .952(8) . . ? C136 H136 .951(7) . . ? P2 C211 1.825(6) . . ? P2 C221 1.829(6) . . ? P2 C231 1.819(5) . . ? C211 C212 1.366(7) . . ? C211 C216 1.387(9) . . ? C212 C213 1.397(11) . . ? C212 H212 .949(7) . . ? C213 C214 1.335(12) . . ? C213 H213 .945(7) . . ? C214 C215 1.362(8) . . ? C214 H214 .948(8) . . ? C215 C216 1.377(10) . . ? C215 H215 .951(7) . . ? C216 H216 .950(6) . . ? C221 C222 1.381(8) . . ? C221 C226 1.372(7) . . ? C222 C223 1.387(9) . . ? C222 H222 .953(6) . . ? C223 C224 1.353(10) . . ? C223 H223 .946(7) . . ? C224 C225 1.357(10) . . ? C224 H224 .946(7) . . ? C225 C226 1.378(10) . . ? C225 H225 .939(7) . . ? C226 H226 .946(6) . . ? C231 C232 1.381(9) . . ? C231 C236 1.381(9) . . ? C232 C233 1.360(8) . . ? C232 H232 .950(6) . . ? C233 C234 1.360(10) . . ? C233 H233 .950(8) . . ? C234 C235 1.334(12) . . ? C234 H234 .952(7) . . ? C235 C236 1.387(10) . . ? C235 H235 .952(8) . . ? C236 H236 .956(8) . . ? P3 C311 1.818(5) . . ? P3 C321 1.824(5) . . ? P3 C331 1.815(6) . . ? C311 C312 1.360(9) . . ? C311 C316 1.381(7) . . ? C312 C313 1.394(8) . . ? C312 H312 .952(5) . . ? C313 C314 1.356(8) . . ? C313 H313 .950(7) . . ? C314 C315 1.387(11) . . ? C314 H314 .952(6) . . ? C315 C316 1.371(9) . . ? C315 H315 .950(6) . . ? C316 H316 .951(7) . . ? C321 C322 1.361(8) . . ? C321 C326 1.379(7) . . ? C322 C323 1.400(9) . . ? C322 H322 .951(6) . . ? C323 C324 1.357(9) . . ? C323 H323 .949(6) . . ? C324 C325 1.352(10) . . ? C324 H324 .952(6) . . ? C325 C326 1.374(8) . . ? C325 H325 .952(6) . . ? C326 H326 .951(6) . . ? C331 C332 1.393(9) . . ? C331 C336 1.373(10) . . ? C332 C333 1.364(8) . . ? C332 H332 .953(6) . . ? C333 C334 1.398(11) . . ? C333 H333 .952(7) . . ? C334 C335 1.356(12) . . ? C334 H334 .949(7) . . ? C335 C336 1.391(11) . . ? C335 H335 .950(9) . . ? C336 H336 .951(8) . . ? N41 C42 1.333(12) . . ? N41 C43 1.267(13) . 2_567 ? N41 H41 .949(10) . . ? C41 C42 1.333(12) . . ? C41 C43 1.267(13) . 2_567 ? C41 H41 .949(10) . . ? C42 H42 .951(9) . . ? C42 C43 1.325(15) . . ? C43 H43 .960(8) 2_567 2_567 ? N31 C32 1.349(13) . . ? N31 C36 1.319(13) . . ? C32 C33 1.240(17) . . ? C32 H32 .958(8) . . ? C33 C34 1.336(16) . . ? C33 H33 .952(10) . . ? C34 C35 1.282(18) . . ? C34 H34 .949(15) . . ? C35 C36 1.286(17) . . ? C35 H35 .948(9) . . ? C36 H36 .950(9) . . ? Ag2 C2 2.047(10) . . ? Ag2 C2 2.047(10) . 2_557 ? N2 C2 1.181(14) . . ? 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 5.6715(16) . 2_666 ? Ag1 N1 3.411(8) . 2_666 ? Ag1 C1 3.403(11) . 2_666 ? Ag1 C111 3.817(5) . . ? Ag1 C116 3.986(7) . . ? Ag1 C121 3.729(5) . . ? Ag1 C126 3.935(6) . . ? Ag1 C131 3.631(5) . . ? Ag1 C136 3.875(6) . . ? Ag1 C211 3.798(6) . . ? Ag1 C212 3.950(8) . . ? Ag1 C221 3.658(6) . . ? Ag1 C222 3.835(7) . . ? Ag1 C231 3.701(5) . . ? Ag1 C232 3.883(5) . . ? Ag1 C311 3.617(6) . . ? Ag1 C316 3.820(7) . . ? Ag1 C321 3.766(6) . . ? Ag1 C322 3.894(7) . . ? Ag1 C331 3.807(6) . . ? Ag1 C336 4.120(7) . . ? Ag1 H116 3.432(2) . . ? Ag1 H126 3.4638(13) . . ? Ag1 H136 3.5056(11) . . ? Ag1 H212 3.3844(11) . . ? Ag1 H222 3.3862(12) . . ? Ag1 H232 3.4086(13) . . ? Ag1 H316 3.3858(18) . . ? Ag1 H322 3.3247(10) . . ? Ag1 H336 3.6790(10) . . ? P1 C112 2.811(6) . . ? P1 C116 2.750(7) . . ? P1 C122 2.834(6) . . ? P1 C126 2.742(5) . . ? P1 C132 2.831(7) . . ? P1 C136 2.717(7) . . ? P1 H112 2.9212(16) . . ? P1 H116 2.819(2) . . ? P1 H122 2.9589(18) . . ? P1 H126 2.799(2) . . ? P1 H132 2.9460(17) . . ? P1 H136 2.7763(17) . . ? C111 C113 2.394(7) . . ? C111 C114 2.770(8) . . ? C111 C115 2.394(10) . . ? C111 C121 2.873(6) . . ? C111 C131 2.827(9) . . ? C111 H112 2.038(5) . . ? C111 H116 2.001(5) . . ? C112 C114 2.383(10) . . ? C112 C115 2.732(11) . . ? C112 C116 2.355(9) . . ? C112 H113 2.033(6) . . ? C113 C115 2.320(10) . . ? C113 C116 2.715(8) . . ? C113 H112 2.045(7) . . ? C113 H114 1.993(7) . . ? C114 C116 2.386(8) . . ? C114 H113 1.984(7) . . ? C114 H115 2.000(7) . . ? C115 H114 2.003(7) . . ? C115 H116 2.051(7) . . ? C116 H115 2.051(7) . . ? C121 C123 2.393(9) . . ? C121 C124 2.775(7) . . ? C121 C125 2.391(7) . . ? C121 C131 2.835(7) . . ? C121 H122 2.040(6) . . ? C121 H126 2.019(5) . . ? C122 C124 2.375(8) . . ? C122 C125 2.743(8) . . ? C122 C126 2.369(9) . . ? C122 H123 2.018(6) . . ? C123 C125 2.360(10) . . ? C123 C126 2.724(10) . . ? C123 H122 2.025(6) . . ? C123 H124 2.004(6) . . ? C124 C126 2.388(9) . . ? C124 H123 1.989(7) . . ? C124 H125 2.044(7) . . ? C125 H124 2.046(7) . . ? C125 H126 2.013(6) . . ? C126 H125 2.021(5) . . ? C131 C133 2.407(9) . . ? C131 C134 2.768(10) . . ? C131 C135 2.364(10) . . ? C131 H132 2.019(5) . . ? C131 H136 2.022(5) . . ? C132 C134 2.368(10) . . ? C132 C135 2.702(10) . . ? C132 C136 2.360(8) . . ? C132 H133 2.033(6) . . ? C133 C135 2.354(11) . . ? C133 C136 2.756(10) . . ? C133 H132 2.027(7) . . ? C133 H134 2.011(7) . . ? C134 C136 2.396(11) . . ? C134 H133 2.022(8) . . ? C134 H135 2.010(8) . . ? C135 H134 2.031(9) . . ? C135 H136 2.024(9) . . ? C136 H135 2.013(7) . . ? P2 C212 2.753(7) . . ? P2 C216 2.839(8) . . ? P2 C222 2.742(6) . . ? P2 C226 2.830(6) . . ? P2 C232 2.763(6) . . ? P2 C236 2.830(6) . . ? P2 H212 2.8243(16) . . ? P2 H216 2.951(2) . . ? P2 H222 2.8053(17) . . ? P2 H226 2.9516(17) . . ? P2 H232 2.8320(19) . . ? P2 H236 2.949(2) . . ? C211 C213 2.396(9) . . ? C211 C214 2.777(10) . . ? C211 C215 2.404(10) . . ? C211 C221 2.856(8) . . ? C211 C231 2.857(8) . . ? C211 H212 2.015(5) . . ? C211 H216 2.031(5) . . ? C212 C214 2.380(11) . . ? C212 C215 2.729(10) . . ? C212 C216 2.355(9) . . ? C212 H213 2.034(7) . . ? C213 C215 2.330(10) . . ? C213 C216 2.715(9) . . ? C213 H212 2.041(9) . . ? C213 H214 1.987(9) . . ? C214 C216 2.376(9) . . ? C214 H213 1.977(7) . . ? C214 H215 2.014(6) . . ? C215 H214 2.015(6) . . ? C215 H216 2.021(7) . . ? C216 H215 2.024(7) . . ? C221 C223 2.389(9) . . ? C221 C224 2.755(9) . . ? C221 C225 2.374(9) . . ? C221 C231 2.866(8) . . ? C221 H222 2.037(5) . . ? C221 H226 2.024(5) . . ? C222 C224 2.382(9) . . ? C222 C225 2.733(9) . . ? C222 C226 2.381(8) . . ? C222 H223 2.027(6) . . ? C223 C225 2.343(10) . . ? C223 C226 2.740(9) . . ? C223 H222 2.040(7) . . ? C223 H224 1.999(7) . . ? C224 C226 2.383(10) . . ? C224 H223 2.001(7) . . ? C224 H225 1.989(7) . . ? C225 H224 2.012(8) . . ? C225 H226 2.024(8) . . ? C226 H225 2.016(6) . . ? C231 C233 2.384(9) . . ? C231 C234 2.773(8) . . ? C231 C235 2.398(9) . . ? C231 H232 2.026(6) . . ? C231 H236 2.034(6) . . ? C232 C234 2.370(9) . . ? C232 C235 2.714(10) . . ? C232 C236 2.361(10) . . ? C232 H233 2.003(6) . . ? C233 C235 2.322(12) . . ? C233 C236 2.716(11) . . ? C233 H232 2.006(7) . . ? C233 H234 2.017(7) . . ? C234 C236 2.372(10) . . ? C234 H233 2.007(8) . . ? C234 H235 1.984(8) . . ? C235 H234 1.994(9) . . ? C235 H236 2.040(8) . . ? C236 H235 2.031(6) . . ? P3 C312 2.815(7) . . ? P3 C316 2.750(6) . . ? P3 C322 2.758(6) . . ? P3 C326 2.831(6) . . ? P3 C332 2.835(6) . . ? P3 C336 2.750(8) . . ? P3 H312 2.920(2) . . ? P3 H316 2.8041(16) . . ? P3 H322 2.8205(18) . . ? P3 H326 2.9374(18) . . ? P3 H332 2.9418(17) . . ? P3 H336 2.814(2) . . ? C311 C313 2.405(9) . . ? C311 C314 2.769(8) . . ? C311 C315 2.403(7) . . ? C311 C321 2.876(6) . . ? C311 C331 2.828(8) . . ? C311 H312 2.004(6) . . ? C311 H316 2.022(5) . . ? C312 C314 2.372(7) . . ? C312 C315 2.740(8) . . ? C312 C316 2.350(9) . . ? C312 H313 2.046(6) . . ? C313 C315 2.382(10) . . ? C313 C316 2.740(10) . . ? C313 H312 2.037(5) . . ? C313 H314 2.006(5) . . ? C314 C316 2.376(10) . . ? C314 H313 2.011(7) . . ? C314 H315 2.041(7) . . ? C315 H314 2.035(8) . . ? C315 H316 2.014(7) . . ? C316 H315 2.026(5) . . ? C321 C323 2.412(8) . . ? C321 C324 2.783(8) . . ? C321 C325 2.398(8) . . ? C321 C331 2.841(8) . . ? C321 H322 2.005(5) . . ? C321 H326 2.023(5) . . ? C322 C324 2.381(9) . . ? C322 C325 2.712(8) . . ? C322 C326 2.339(8) . . ? C322 H323 2.051(6) . . ? C323 C325 2.341(9) . . ? C323 C326 2.728(9) . . ? C323 H322 2.039(7) . . ? C323 H324 2.012(7) . . ? C324 C326 2.372(9) . . ? C324 H323 2.010(6) . . ? C324 H325 2.004(7) . . ? C325 H324 2.008(7) . . ? C325 H326 2.019(7) . . ? C326 H325 2.018(6) . . ? C331 C333 2.407(8) . . ? C331 C334 2.771(9) . . ? C331 C335 2.414(10) . . ? C331 H332 2.034(6) . . ? C331 H336 2.017(6) . . ? C332 C334 2.379(10) . . ? C332 C335 2.752(11) . . ? C332 C336 2.367(11) . . ? C332 H333 2.022(6) . . ? C333 C335 2.393(12) . . ? C333 C336 2.747(11) . . ? C333 H332 2.009(6) . . ? C333 H334 2.042(7) . . ? C334 C336 2.366(11) . . ? C334 H333 2.051(9) . . ? C334 H335 2.011(9) . . ? C335 H334 2.003(9) . . ? C335 H336 2.031(8) . . ? C336 H335 2.045(7) . . ? Ag2 N2 3.227(10) . 2_557 ? Ag2 N2 3.227(10) . . ? Ag2 N31 4.398(11) . 2_556 ? Ag2 N31 4.398(11) . 1_556 ? Ag2 H124 3.2851(15) . . ? Ag2 H124 3.2850(15) . 2_557 ? Ag2 H125 3.2937(10) . 2_557 ? Ag2 H125 3.2937(10) . . ? Ag2 H233 3.9298(15) . 2_557 ? Ag2 H233 3.9299(15) . . ? Ag2 H234 3.0929(10) . . ? Ag2 H234 3.0929(10) . 2_557 ? N31 C33 2.276(16) . . ? N31 C34 2.671(18) . . ? N31 C35 2.255(14) . . ? N31 H32 1.995(8) . . ? N31 H36 1.971(8) . . ? C32 C34 2.245(16) . . ? C32 C35 2.539(12) . . ? C32 C36 2.253(11) . . ? C32 H33 1.900(11) . . ? C33 C35 2.218(13) . . ? C33 C36 2.595(13) . . ? C33 H32 1.892(13) . . ? C33 H34 2.011(13) . . ? C34 C36 2.272(18) . . ? C34 H33 1.982(11) . . ? C34 H35 1.919(12) . . ? C35 H34 1.957(13) . . ? C35 H36 1.947(13) . . ? C36 H35 1.920(12) . . ? N41 N41 2.652(14) . 2_567 ? N41 C41 2.652(14) . 2_567 ? N41 C42 2.298(15) . 2_567 ? N41 C43 2.262(13) . . ? N41 H42 2.002(8) . . ? N41 H43 1.905(8) . 2_567 ? C41 C41 2.652(14) . 2_567 ? C41 C42 2.298(15) . 2_567 ? C41 C43 2.262(13) . . ? C41 H42 2.002(8) . . ? C41 H43 1.905(8) . 2_567 ? C42 C42 2.662(13) . 2_567 ? C42 C43 2.234(11) . 2_567 ? C42 H41 1.989(10) . . ? C42 H43 1.968(11) . . ? C43 C43 2.531(12) 2_567 . ? C43 H41 1.936(10) 2_567 . ? C43 H42 1.997(10) 2_567 2_567 ? 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 C1 .2(3) . . . ? N1 Ag1 P1 108.6(2) . . . ? N1 Ag1 P2 106.7(2) . . . ? N1 Ag1 P3 104.8(2) . . . ? C1 Ag1 P1 108.4(3) . . . ? C1 Ag1 P2 106.9(3) . . . ? C1 Ag1 P3 104.9(3) . . . ? P1 Ag1 P2 113.24(6) . . . ? P1 Ag1 P3 111.57(6) . . . ? P2 Ag1 P3 111.34(5) . . . ? Ag1 N1 N1 178.7(8) . . 2_666 ? Ag1 C1 N1 178.3(10) . . 2_666 ? Ag1 P1 C111 119.61(17) . . . ? Ag1 P1 C121 115.37(15) . . . ? Ag1 P1 C131 110.61(19) . . . ? C111 P1 C121 104.3(3) . . . ? C111 P1 C131 102.1(2) . . . ? C121 P1 C131 102.8(2) . . . ? P1 C111 C112 121.9(5) . . . ? P1 C111 C116 119.3(4) . . . ? C112 C111 C116 118.8(5) . . . ? C111 C112 C113 119.3(6) . . . ? C111 C112 H112 120.4(6) . . . ? C113 C112 H112 120.4(5) . . . ? C112 C113 C114 121.6(6) . . . ? C112 C113 H113 119.2(7) . . . ? C114 C113 H113 119.2(6) . . . ? C113 C114 C115 119.5(6) . . . ? C113 C114 H114 120.2(6) . . . ? C115 C114 H114 120.3(7) . . . ? C114 C115 C116 120.2(7) . . . ? C114 C115 H115 119.9(7) . . . ? C116 C115 H115 119.8(7) . . . ? C111 C116 C115 120.5(6) . . . ? C111 C116 H116 119.6(6) . . . ? C115 C116 H116 119.9(7) . . . ? P1 C121 C122 123.9(4) . . . ? P1 C121 C126 117.9(4) . . . ? C122 C121 C126 118.1(5) . . . ? C121 C122 C123 120.0(5) . . . ? C121 C122 H122 120.1(5) . . . ? C123 C122 H122 119.9(6) . . . ? C122 C123 C124 121.6(7) . . . ? C122 C123 H123 119.3(6) . . . ? C124 C123 H123 119.1(6) . . . ? C123 C124 C125 119.0(6) . . . ? C123 C124 H124 120.6(7) . . . ? C125 C124 H124 120.4(6) . . . ? C124 C125 C126 119.7(5) . . . ? C124 C125 H125 120.1(6) . . . ? C126 C125 H125 120.2(7) . . . ? C121 C126 C125 121.4(6) . . . ? C121 C126 H126 119.3(5) . . . ? C125 C126 H126 119.3(5) . . . ? P1 C131 C132 124.7(4) . . . ? P1 C131 C136 116.6(4) . . . ? C132 C131 C136 118.7(6) . . . ? C131 C132 C133 121.6(5) . . . ? C131 C132 H132 119.2(6) . . . ? C133 C132 H132 119.2(6) . . . ? C132 C133 C134 119.2(6) . . . ? C132 C133 H133 120.0(6) . . . ? C134 C133 H133 120.8(7) . . . ? C133 C134 C135 119.0(7) . . . ? C133 C134 H134 119.8(8) . . . ? C135 C134 H134 121.2(8) . . . ? C134 C135 C136 122.0(7) . . . ? C134 C135 H135 118.8(8) . . . ? C136 C135 H135 119.1(9) . . . ? C131 C136 C135 119.4(6) . . . ? C131 C136 H136 120.2(7) . . . ? C135 C136 H136 120.4(7) . . . ? Ag1 P2 C211 119.17(15) . . . ? Ag1 P2 C221 111.9(2) . . . ? Ag1 P2 C231 114.4(2) . . . ? C211 P2 C221 102.8(3) . . . ? C211 P2 C231 103.2(3) . . . ? C221 P2 C231 103.5(2) . . . ? P2 C211 C212 118.6(5) . . . ? P2 C211 C216 123.7(4) . . . ? C212 C211 C216 117.7(6) . . . ? C211 C212 C213 120.3(7) . . . ? C211 C212 H212 120.0(7) . . . ? C213 C212 H212 119.8(6) . . . ? C212 C213 C214 121.2(6) . . . ? C212 C213 H213 119.4(8) . . . ? C214 C213 H213 119.4(8) . . . ? C213 C214 C215 119.5(7) . . . ? C213 C214 H214 120.1(6) . . . ? C215 C214 H214 120.4(7) . . . ? C214 C215 C216 120.3(6) . . . ? C214 C215 H215 120.0(7) . . . ? C216 C215 H215 119.7(6) . . . ? C211 C216 C215 120.9(5) . . . ? C211 C216 H216 119.5(7) . . . ? C215 C216 H216 119.5(6) . . . ? P2 C221 C222 116.6(4) . . . ? P2 C221 C226 123.6(4) . . . ? C222 C221 C226 119.7(5) . . . ? C221 C222 C223 119.3(5) . . . ? C221 C222 H222 120.5(6) . . . ? C223 C222 H222 120.2(6) . . . ? C222 C223 C224 120.7(6) . . . ? C222 C223 H223 119.4(7) . . . ? C224 C223 H223 119.9(7) . . . ? C223 C224 C225 119.6(7) . . . ? C223 C224 H224 119.7(7) . . . ? C225 C224 H224 120.6(7) . . . ? C224 C225 C226 121.2(6) . . . ? C224 C225 H225 119.0(8) . . . ? C226 C225 H225 119.8(7) . . . ? C221 C226 C225 119.4(6) . . . ? C221 C226 H226 120.5(6) . . . ? C225 C226 H226 120.1(6) . . . ? P2 C231 C232 118.7(4) . . . ? P2 C231 C236 123.7(5) . . . ? C232 C231 C236 117.5(5) . . . ? C231 C232 C233 120.8(6) . . . ? C231 C232 H232 119.6(5) . . . ? C233 C232 H232 119.6(7) . . . ? C232 C233 C234 121.2(7) . . . ? C232 C233 H233 119.2(7) . . . ? C234 C233 H233 119.6(6) . . . ? C233 C234 C235 119.1(6) . . . ? C233 C234 H234 120.4(8) . . . ? C235 C234 H234 120.5(7) . . . ? C234 C235 C236 121.3(7) . . . ? C234 C235 H235 119.4(7) . . . ? C236 C235 H235 119.4(9) . . . ? C231 C236 C235 120.1(7) . . . ? C231 C236 H236 119.9(6) . . . ? C235 C236 H236 120.0(7) . . . ? Ag1 P3 C311 109.70(17) . . . ? Ag1 P3 C321 116.78(19) . . . ? Ag1 P3 C331 119.3(2) . . . ? C311 P3 C321 104.3(3) . . . ? C311 P3 C331 102.2(3) . . . ? C321 P3 C331 102.6(2) . . . ? P3 C311 C312 124.1(4) . . . ? P3 C311 C316 117.9(5) . . . ? C312 C311 C316 118.0(5) . . . ? C311 C312 C313 121.6(5) . . . ? C311 C312 H312 119.1(5) . . . ? C313 C312 H312 119.3(6) . . . ? C312 C313 C314 119.2(7) . . . ? C312 C313 H313 120.4(5) . . . ? C314 C313 H313 120.4(6) . . . ? C313 C314 C315 120.5(6) . . . ? C313 C314 H314 119.7(7) . . . ? C315 C314 H314 119.8(6) . . . ? C314 C315 C316 119.0(5) . . . ? C314 C315 H315 120.5(6) . . . ? C316 C315 H315 120.5(7) . . . ? C311 C316 C315 121.7(6) . . . ? C311 C316 H316 119.1(6) . . . ? C315 C316 H316 119.2(5) . . . ? P3 C321 C322 119.2(4) . . . ? P3 C321 C326 123.6(4) . . . ? C322 C321 C326 117.2(5) . . . ? C321 C322 C323 121.7(5) . . . ? C321 C322 H322 119.2(6) . . . ? C323 C322 H322 119.1(6) . . . ? C322 C323 C324 119.4(6) . . . ? C322 C323 H323 120.4(6) . . . ? C324 C323 H323 120.2(7) . . . ? C323 C324 C325 119.6(6) . . . ? C323 C324 H324 120.2(7) . . . ? C325 C324 H324 120.3(6) . . . ? C324 C325 C326 120.9(6) . . . ? C324 C325 H325 119.9(6) . . . ? C326 C325 H325 119.2(6) . . . ? C321 C326 C325 121.2(5) . . . ? C321 C326 H326 119.4(5) . . . ? C325 C326 H326 119.4(5) . . . ? P3 C331 C332 123.6(5) . . . ? P3 C331 C336 118.6(5) . . . ? C332 C331 C336 117.7(6) . . . ? C331 C332 C333 121.6(6) . . . ? C331 C332 H332 119.1(5) . . . ? C333 C332 H332 119.2(6) . . . ? C332 C333 C334 118.9(6) . . . ? C332 C333 H333 120.7(7) . . . ? C334 C333 H333 120.4(6) . . . ? C333 C334 C335 120.7(7) . . . ? C333 C334 H334 119.7(8) . . . ? C335 C334 H334 119.7(9) . . . ? C334 C335 C336 119.0(8) . . . ? C334 C335 H335 120.4(8) . . . ? C336 C335 H335 120.6(9) . . . ? C331 C336 C335 121.7(7) . . . ? C331 C336 H336 119.3(7) . . . ? C335 C336 H336 119.0(8) . . . ? C42 N41 C43 118.4(10) . . 2_567 ? C42 N41 H41 120.4(9) . . . ? C43 N41 H41 121.2(8) 2_567 . . ? C42 C41 C43 118.4(10) . . 2_567 ? C42 C41 H41 120.4(9) . . . ? C43 C41 H41 121.2(8) 2_567 . . ? N41 C42 C41 .0(6) . . . ? N41 C42 H42 121.6(11) . . . ? N41 C42 C43 116.6(9) . . . ? C41 C42 H42 121.6(11) . . . ? C41 C42 C43 116.6(9) . . . ? H42 C42 C43 121.8(9) . . . ? N41 C43 C41 .0(6) . 2_567 . ? N41 C43 H43 117.0(10) . 2_567 2_567 ? N41 C43 C42 124.9(8) . 2_567 2_567 ? C41 C43 H43 117.0(10) . 2_567 2_567 ? C41 C43 C42 124.9(8) . 2_567 2_567 ? H43 C43 C42 118.1(9) 2_567 2_567 2_567 ? N41 H41 C41 .0(8) . . . ? C32 N31 C36 115.3(10) . . . ? N31 C32 C33 123.1(9) . . . ? N31 C32 H32 118.7(10) . . . ? C33 C32 H32 118.2(10) . . . ? C32 C33 C34 121.2(11) . . . ? C32 C33 H33 119.6(11) . . . ? C34 C33 H33 119.1(13) . . . ? C33 C34 C35 115.8(13) . . . ? C33 C34 H34 122.3(13) . . . ? C35 C34 H34 121.8(11) . . . ? C34 C35 C36 124.4(10) . . . ? C34 C35 H35 118.0(13) . . . ? C36 C35 H35 117.6(11) . . . ? N31 C36 C35 120.0(9) . . . ? N31 C36 H36 119.7(12) . . . ? C35 C36 H36 120.3(10) . . . ? C2 Ag2 C2 180.0(3) . . 2_557 ? Ag2 C2 N2 177.0(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 -18 _reflns_limit_h_max 18 _reflns_limit_k_min -15 _reflns_limit_k_max 17 _reflns_limit_l_min 0 _reflns_limit_l_max 15 _reflns_number_total 9653 #ActaC _reflns_number_observed 5809 #ActaC _reflns_observed_criterion refl_observed_if_Inet_>_.000_sigma(Inet) _reflns_d_resolution_high .842 _reflns_d_resolution_low 13.395 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 1.2895 #=END data_cnagas _audit_creation_date 98-04-05 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common 'AgCN:AsPh3:pyridine(1:2:1)' #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 15.482(4) #ActaC _cell_length_b 14.414(3) #ActaC _cell_length_c 13.650(6) #ActaC _cell_angle_alpha 68.80(3) #ActaC _cell_angle_beta 86.06(3) #ActaC _cell_angle_gamma 85.83(2) #ActaC _cell_volume 2829.5(17) #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 1.453 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 ? #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 7280 #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI 0 #ActaC _diffrn_reflns_limit_h_min -16 #ActaC _diffrn_reflns_limit_h_max 16 #ActaC _diffrn_reflns_limit_k_min -14 #ActaC _diffrn_reflns_limit_k_max 15 #ActaC _diffrn_reflns_limit_l_min 0 #ActaC _diffrn_reflns_limit_l_max 13 #ActaC _diffrn_reflns_theta_min 1.52 #ActaC _diffrn_reflns_theta_max 22.49 #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 Ag ? 0 3 -1.085 1.101 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 As ? 0 6 -.03 2.007 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 N ? 0 6 .004 .003 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 C ? 0 126 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 105 0 0 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 .38004(6) .36429(7) .61615(7) .0602(9) Uani ? ? N1 .4743(6) .4719(7) .5242(8) .069(6) Uiso ? ? C1 .4743(6) .4719(7) .5242(8) .070(8) Uiso ? ? As1 .22428(8) .42395(10) .54930(10) .0653(13) Uani ? ? C111 .2034(7) .4545(9) .4012(8) .065(12) Uani ? ? C112 .1398(8) .5231(10) .3508(9) .086(14) Uani ? ? C113 .1285(8) .5415(11) .2451(10) .111(17) Uani ? ? C114 .1784(9) .4913(11) .1935(10) .110(18) Uani ? ? C115 .2409(9) .4239(12) .2456(11) .119(19) Uani ? ? C116 .2542(9) .4059(11) .3508(10) .105(17) Uani ? ? C121 .1316(7) .3404(8) .6212(8) .053(11) Uani ? ? C122 .0689(8) .3159(9) .5704(9) .083(14) Uani ? ? C123 .0045(9) .2556(10) .6261(11) .108(17) Uani ? ? C124 .0007(8) .2193(10) .7344(10) .101(16) Uani ? ? C125 .0628(8) .2440(9) .7856(9) .089(15) Uani ? ? C126 .1286(7) .3022(9) .7289(9) .076(13) Uani ? ? C131 .1858(7) .5466(8) .5651(8) .070(12) Uani ? ? C132 .1116(8) .5602(9) .6202(9) .079(14) Uani ? ? C133 .0901(10) .6466(10) .6383(10) .106(17) Uani ? ? C134 .1425(11) .7237(10) .5949(13) .14(2) Uani ? ? C135 .2176(10) .7166(11) .5415(14) .15(2) Uani ? ? C136 .2383(9) .6267(10) .5258(11) .118(18) Uani ? ? As2 .38778(8) .33753(10) .81488(9) .0630(13) Uani ? ? C211 .3613(7) .4504(8) .8577(8) .062(12) Uani ? ? C212 .3039(8) .5228(10) .8061(10) .093(16) Uani ? ? C213 .2786(9) .6022(11) .8370(12) .12(2) Uani ? ? C214 .3126(9) .6077(10) .9262(10) .103(17) Uani ? ? C215 .3703(9) .5361(10) .9788(10) .100(16) Uani ? ? C216 .3966(9) .4579(9) .9475(9) .088(15) Uani ? ? C221 .5008(7) .2920(9) .8659(9) .075(14) Uani ? ? C222 .5713(8) .3362(10) .8093(12) .106(18) Uani ? ? C223 .6564(9) .3018(12) .8430(14) .14(2) Uani ? ? C224 .6659(9) .2242(12) .9351(14) .15(2) Uani ? ? C225 .5957(10) .1796(12) .9917(12) .14(2) Uani ? ? C226 .5131(8) .2108(10) .9632(10) .098(16) Uani ? ? C231 .3136(8) .2407(9) .9119(8) .073(13) Uani ? ? C232 .3051(8) .1536(9) .8936(9) .086(14) Uani ? ? C233 .2497(9) .0803(9) .9591(11) .107(16) Uani ? ? C234 .2034(9) .1008(11) 1.0402(10) .119(18) Uani ? ? C235 .2108(11) .1855(12) 1.0573(11) .14(2) Uani ? ? C236 .2665(10) .2535(10) .9916(10) .109(17) Uani ? ? As3 .42785(9) .19813(9) .58623(10) .0627(13) Uani ? ? C311 .4388(7) .2238(8) .4357(8) .059(11) Uani ? ? C312 .4012(9) .1638(9) .3925(9) .084(14) Uani ? ? C313 .4101(10) .1873(10) .2836(9) .104(16) Uani ? ? C314 .4562(10) .2660(9) .2242(9) .106(16) Uani ? ? C315 .4940(9) .3249(10) .2672(11) .113(18) Uani ? ? C316 .4858(8) .3004(9) .3753(9) .082(14) Uani ? ? C321 .3552(8) .0853(8) .6405(8) .069(12) Uani ? ? C322 .2693(8) .1010(9) .6590(11) .097(16) Uani ? ? C323 .2145(9) .0222(11) .7006(13) .12(2) Uani ? ? C324 .2472(9) -.0729(10) .7263(11) .109(17) Uani ? ? C325 .3338(9) -.0876(9) .7089(10) .098(15) Uani ? ? C326 .3870(8) -.0106(8) .6675(9) .081(13) Uani ? ? C331 .5378(8) .1367(8) .6290(9) .074(14) Uani ? ? C332 .5978(8) .1078(9) .5673(10) .085(14) Uani ? ? C333 .6779(8) .0616(10) .6030(11) .103(17) Uani ? ? C334 .7004(9) .0459(11) .6999(13) .13(2) Uani ? ? C335 .6393(10) .0697(11) .7680(12) .15(2) Uani ? ? C336 .5590(10) .1193(12) .7311(12) .14(2) Uani ? ? Ag2 .00000 .00000 1.00000 .233(4) Uani ? ? N2 .1220(10) -.1809(16) .9564(14) .32(3) Uani ? ? C2 .0753(10) -.1117(18) .9774(13) .26(3) Uani ? ? N31 .0318(10) .0591(14) .3019(12) .22(3) Uani ? ? C32 .0417(12) .1577(16) .2605(13) .19(3) Uani ? ? C33 .0912(11) .1873(15) .3133(17) .20(3) Uani ? ? C34 .1291(11) .141(2) .4032(18) .24(4) Uani ? ? C35 .1141(14) .0473(16) .4300(15) .22(3) Uani ? ? C36 .0704(14) .0015(13) .3917(14) .19(3) Uani ? ? N41 .0159(10) .4089(12) .9902(13) .170(12) Uiso ? ? C41 .0159(10) .4089(12) .9902(13) .168(15) Uiso ? ? C42 .0622(10) .4918(12) .9341(12) .139(6) Uiso ? ? C43 .0481(11) .5771(12) .9434(13) .147(7) Uiso ? ? H112 .10388 .55750 .38756 .10520 Uiso ? ? H113 .08541 .58986 .20850 .12660 Uiso ? ? H114 .16991 .50270 .12170 .13920 Uiso ? ? H115 .27629 .38878 .20959 .15190 Uiso ? ? H116 .29860 .35922 .38645 .13590 Uiso ? ? H122 .07011 .34082 .49563 .10230 Uiso ? ? H123 -.03820 .23861 .58955 .13720 Uiso ? ? H124 -.04436 .17776 .77280 .11910 Uiso ? ? H125 .06070 .22087 .86026 .10510 Uiso ? ? H126 .17298 .31645 .76544 .09460 Uiso ? ? H132 .07303 .50707 .64707 .09840 Uiso ? ? H133 .03978 .65230 .68017 .13200 Uiso ? ? H134 .12557 .78526 .60296 .16940 Uiso ? ? H135 .25467 .77067 .51532 .18950 Uiso ? ? H136 .29029 .62046 .48680 .13840 Uiso ? ? H212 .27937 .51916 .74572 .12630 Uiso ? ? H213 .23839 .65243 .79795 .16590 Uiso ? ? H214 .29539 .66126 .94956 .14290 Uiso ? ? H215 .39389 .53952 1.03983 .13280 Uiso ? ? H216 .43835 .40881 .98586 .11250 Uiso ? ? H222 .56381 .39177 .74550 .14770 Uiso ? ? H223 .70545 .33256 .80177 .20080 Uiso ? ? H224 .72206 .20117 .95970 .22220 Uiso ? ? H225 .60425 .12365 1.05458 .18720 Uiso ? ? H226 .46494 .17990 1.00676 .13160 Uiso ? ? H232 .33732 .14267 .83633 .10100 Uiso ? ? H233 .24426 .01965 .94775 .12350 Uiso ? ? H234 .16504 .05307 1.08501 .14030 Uiso ? ? H235 .17891 .19822 1.11321 .17190 Uiso ? ? H236 .27167 .31345 1.00398 .13620 Uiso ? ? H312 .36985 .10805 .43591 .10700 Uiso ? ? H313 .38415 .14811 .25181 .13210 Uiso ? ? H314 .46275 .28096 .15035 .12700 Uiso ? ? H315 .52480 .38110 .22414 .13740 Uiso ? ? H316 .51409 .33787 .40722 .10360 Uiso ? ? H322 .24583 .16731 .64365 .12610 Uiso ? ? H323 .15408 .03515 .71056 .15250 Uiso ? ? H324 .21098 -.12746 .75549 .13870 Uiso ? ? H325 .35788 -.15387 .72605 .11750 Uiso ? ? H326 .44734 -.02404 .65712 .09640 Uiso ? ? H332 .58478 .11966 .49659 .10080 Uiso ? ? H333 .71704 .04087 .55695 .12560 Uiso ? ? H334 .75661 .01920 .72235 .18210 Uiso ? ? H335 .65126 .05232 .83975 .20470 Uiso ? ? H336 .52026 .14140 .77599 .19430 Uiso ? ? H32 .01522 .20351 .19924 .21790 Uiso ? ? H33 .10312 .25526 .28436 .28300 Uiso ? ? H34 .16302 .17070 .43854 .36800 Uiso ? ? H35 .14187 .00505 .49167 .27020 Uiso ? ? H36 .06306 -.06821 .42142 .22560 Uiso ? ? H41 .02675 .34739 .98194 .22560 Uiso ? ? H42 .10893 .48270 .88739 .17240 Uiso ? ? H43 .08085 .63118 .89976 .17860 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 .0656(7) .0686(7) .0513(6) -.0055(5) -.0059(5) -.0266(5) As1 .0587(9) .0783(10) .0555(9) -.0016(7) -.0098(7) -.0190(8) C111 .059(8) .087(10) .046(8) .007(7) -.007(6) -.022(7) C112 .080(10) .104(11) .070(9) .030(8) -.015(8) -.030(8) C113 .085(11) .163(15) .058(9) .014(10) -.027(8) -.009(10) C114 .099(12) .160(15) .077(11) .000(11) -.008(9) -.051(10) C115 .104(12) .167(16) .095(12) .045(11) -.006(9) -.068(11) C116 .115(12) .143(14) .070(10) .043(10) -.016(9) -.062(10) C121 .058(8) .053(8) .053(8) .018(6) -.018(6) -.025(6) C122 .080(10) .096(11) .071(9) -.038(8) -.005(8) -.022(8) C123 .109(12) .103(12) .119(13) -.037(10) -.024(10) -.037(10) C124 .095(11) .086(11) .107(12) -.024(9) .007(9) -.013(9) C125 .092(11) .099(11) .063(9) -.021(9) -.013(8) -.008(8) C126 .079(9) .088(10) .063(9) -.022(8) -.006(7) -.027(8) C131 .077(9) .073(9) .052(8) -.010(7) -.007(7) -.011(7) C132 .090(10) .068(9) .082(10) .010(8) -.020(8) -.029(8) C133 .150(14) .096(12) .076(10) .016(10) -.040(10) -.032(9) C134 .177(17) .080(12) .151(16) -.002(11) -.038(13) -.040(11) C135 .155(16) .094(13) .20(2) -.057(12) -.033(14) -.031(13) C136 .125(13) .095(12) .115(13) -.041(10) .005(10) -.011(10) As2 .0746(10) .0751(10) .0466(8) -.0079(8) -.0101(7) -.0287(7) C211 .061(8) .062(8) .067(8) -.001(7) -.000(7) -.029(7) C212 .093(11) .109(12) .104(11) .032(9) -.057(9) -.066(10) C213 .111(13) .115(13) .176(16) .044(10) -.052(11) -.100(12) C214 .120(12) .113(12) .112(12) -.038(10) .020(10) -.083(11) C215 .139(13) .111(12) .069(10) -.002(10) -.018(9) -.051(9) C216 .126(12) .099(11) .048(8) -.005(9) -.022(8) -.035(8) C221 .074(9) .080(10) .096(10) .006(8) -.012(8) -.063(8) C222 .071(10) .121(13) .165(15) -.005(9) -.007(10) -.098(12) C223 .083(12) .185(17) .215(19) -.005(11) -.009(12) -.154(16) C224 .113(13) .185(17) .23(2) .051(12) -.108(13) -.164(16) C225 .129(14) .163(16) .160(16) .043(12) -.068(12) -.112(14) C226 .101(11) .110(12) .106(11) .044(9) -.051(9) -.068(10) C231 .098(10) .082(10) .046(8) -.014(8) -.015(7) -.028(7) C232 .096(11) .085(10) .065(9) -.001(8) -.002(8) -.014(8) C233 .134(13) .058(10) .107(12) -.023(9) -.021(10) .003(9) C234 .130(14) .139(14) .070(10) -.054(11) -.003(9) -.008(10) C235 .190(18) .144(15) .082(12) -.061(13) .034(11) -.046(11) C236 .160(15) .100(12) .067(10) -.045(11) .010(10) -.027(9) As3 .0792(10) .0595(9) .0555(9) .0009(7) -.0061(7) -.0282(7) C311 .084(9) .051(8) .040(7) -.003(7) .004(6) -.017(6) C312 .133(12) .069(9) .057(9) -.023(9) -.006(8) -.028(8) C313 .175(15) .096(11) .048(9) -.015(10) -.028(9) -.029(8) C314 .170(15) .078(11) .058(9) .001(10) .009(9) -.013(8) C315 .137(14) .096(12) .098(12) -.033(10) .025(10) -.026(10) C316 .101(11) .091(11) .058(9) -.025(9) .011(8) -.029(8) C321 .094(10) .058(8) .047(8) .006(7) -.015(7) -.011(7) C322 .083(10) .079(10) .144(14) .009(8) -.005(9) -.060(10) C323 .081(11) .116(13) .172(16) -.024(10) .008(10) -.062(12) C324 .136(14) .098(12) .099(12) -.041(10) .008(10) -.039(10) C325 .141(13) .063(10) .080(10) -.023(9) .015(9) -.012(8) C326 .108(11) .054(9) .072(9) -.010(8) .012(8) -.013(7) C331 .098(10) .067(9) .081(9) -.003(8) .011(8) -.059(8) C332 .073(10) .085(10) .085(10) -.006(8) -.028(8) -.014(8) C333 .087(11) .091(11) .128(13) -.010(9) -.030(9) -.028(10) C334 .113(13) .136(14) .188(17) .039(11) -.092(12) -.091(13) C335 .177(17) .148(15) .165(16) .100(13) -.112(13) -.121(14) C336 .146(15) .184(17) .143(15) .080(13) -.073(12) -.129(14) Ag2 .168(2) .331(4) .1114(18) -.156(2) -.0507(16) .061(2) N2 .128(15) .42(3) .24(2) -.132(17) -.006(14) .09(2) C2 .075(13) .45(4) .124(16) -.098(17) -.046(11) .07(2) N31 .178(16) .32(2) .158(16) -.063(16) .038(12) -.099(16) C32 .157(18) .25(2) .123(16) -.002(17) .003(14) -.016(16) C33 .136(17) .21(2) .31(3) -.011(15) -.008(17) -.17(2) C34 .101(14) .46(4) .34(3) .037(19) -.042(17) -.35(3) C35 .25(3) .26(3) .17(2) .07(2) -.063(18) -.13(2) C36 .28(3) .130(16) .153(18) -.037(17) .035(17) -.035(14) _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 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 3699 #ActaC _refine_ls_number_parameters 620 #ActaC _refine_ls_number_restraints 0 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .104 #ActaC _refine_ls_R_factor_obs .05 #ActaC _refine_ls_wR_factor_all .061 #ActaC _refine_ls_wR_factor_obs .05 #ActaC _refine_ls_goodness_of_fit_all 1.264 #ActaC _refine_ls_goodness_of_fit_obs 1.491 #ActaC _refine_ls_shift/esd_max .065 #ActaC _refine_ls_shift/esd_mean .009 #ActaC _refine_diff_density_min -.393 #ActaC _refine_diff_density_max .636 #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 2.187(9) . . ? Ag1 C1 2.187(9) . . ? Ag1 As1 2.6117(17) . . ? Ag1 As2 2.608(2) . . ? Ag1 As3 2.6190(19) . . ? N1 N1 1.166(13) . 2_666 ? As1 C111 1.952(11) . . ? As1 C121 1.917(10) . . ? As1 C131 1.906(13) . . ? C111 C112 1.372(15) . . ? C111 C116 1.33(2) . . ? C112 C113 1.391(18) . . ? C112 H112 .952(14) . . ? C113 C114 1.35(2) . . ? C113 H113 .952(12) . . ? C114 C115 1.358(19) . . ? C114 H114 .951(14) . . ? C115 C116 1.39(2) . . ? C115 H115 .948(17) . . ? C116 H116 .951(13) . . ? C121 C122 1.367(18) . . ? C121 C126 1.369(15) . . ? C122 C123 1.368(17) . . ? C122 H122 .951(12) . . ? C123 C124 1.38(2) . . ? C123 H123 .950(16) . . ? C124 C125 1.37(2) . . ? C124 H124 .950(12) . . ? C125 C126 1.373(16) . . ? C125 H125 .949(12) . . ? C126 H126 .951(13) . . ? C131 C132 1.371(17) . . ? C131 C136 1.381(18) . . ? C132 C133 1.37(2) . . ? C132 H132 .954(12) . . ? C133 C134 1.35(2) . . ? C133 H133 .950(14) . . ? C134 C135 1.35(2) . . ? C134 H134 .949(16) . . ? C135 C136 1.40(2) . . ? C135 H135 .948(16) . . ? C136 H136 .952(15) . . ? As2 C211 1.927(13) . . ? As2 C221 1.910(11) . . ? As2 C231 1.925(11) . . ? C211 C212 1.339(15) . . ? C211 C216 1.417(19) . . ? C212 C213 1.38(2) . . ? C212 H212 .951(15) . . ? C213 C214 1.39(2) . . ? C213 H213 .947(13) . . ? C214 C215 1.341(18) . . ? C214 H214 .951(16) . . ? C215 C216 1.37(2) . . ? C215 H215 .950(15) . . ? C216 H216 .951(12) . . ? C221 C222 1.350(16) . . ? C221 C226 1.431(15) . . ? C222 C223 1.420(19) . . ? C222 H222 .953(12) . . ? C223 C224 1.36(2) . . ? C223 H223 .949(14) . . ? C224 C225 1.35(2) . . ? C224 H224 .947(14) . . ? C225 C226 1.36(2) . . ? C225 H225 .951(14) . . ? C226 H226 .950(12) . . ? C231 C232 1.38(2) . . ? C231 C236 1.329(19) . . ? C232 C233 1.413(17) . . ? C232 H232 .953(13) . . ? C233 C234 1.39(2) . . ? C233 H233 .951(15) . . ? C234 C235 1.34(3) . . ? C234 H234 .951(13) . . ? C235 C236 1.37(2) . . ? C235 H235 .947(16) . . ? C236 H236 .949(16) . . ? As3 C311 1.948(11) . . ? As3 C321 1.933(11) . . ? As3 C331 1.889(11) . . ? C311 C312 1.39(2) . . ? C311 C316 1.343(15) . . ? C312 C313 1.399(17) . . ? C312 H312 .951(11) . . ? C313 C314 1.351(18) . . ? C313 H313 .950(16) . . ? C314 C315 1.37(2) . . ? C314 H314 .951(13) . . ? C315 C316 1.387(19) . . ? C315 H315 .950(13) . . ? C316 H316 .951(15) . . ? C321 C322 1.355(17) . . ? C321 C326 1.359(16) . . ? C322 C323 1.394(19) . . ? C322 H322 .951(13) . . ? C323 C324 1.35(2) . . ? C323 H323 .950(13) . . ? C324 C325 1.36(2) . . ? C324 H324 .948(14) . . ? C325 C326 1.359(18) . . ? C325 H325 .951(13) . . ? C326 H326 .951(12) . . ? C331 C332 1.355(18) . . ? C331 C336 1.38(2) . . ? C332 C333 1.395(17) . . ? C332 H332 .951(13) . . ? C333 C334 1.33(2) . . ? C333 H333 .953(15) . . ? C334 C335 1.39(2) . . ? C334 H334 .949(14) . . ? C335 C336 1.42(2) . . ? C335 H335 .947(17) . . ? C336 H336 .949(17) . . ? N31 C32 1.34(3) . . ? N31 C36 1.36(2) . . ? C32 C33 1.28(3) . . ? C32 H32 .955(16) . . ? C33 C34 1.32(3) . . ? C33 H33 .94(2) . . ? C34 C35 1.29(4) . . ? C34 H34 .96(3) . . ? C35 C36 1.24(3) . . ? C35 H35 .952(19) . . ? C36 H36 .950(18) . . ? N41 C42 1.38(2) . . ? N41 C43 1.35(2) . 2_567 ? N41 H41 .936(18) . . ? C41 C42 1.38(2) . . ? C41 C43 1.35(2) . 2_567 ? C41 H41 .936(18) . . ? C42 H42 .965(17) . . ? C42 C43 1.28(3) . . ? C43 H43 .948(15) 2_567 2_567 ? Ag2 C2 2.02(2) . . ? Ag2 C2 2.02(2) . 2_557 ? N2 C2 1.29(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 Ag1 N1 3.352(9) . 2_666 ? Ag1 C1 3.352(9) . 2_666 ? Ag1 C111 3.950(11) . . ? Ag1 C121 3.880(10) . . ? Ag1 C131 3.775(11) . . ? Ag1 C211 3.907(13) . . ? Ag1 C221 3.772(13) . . ? Ag1 C231 3.876(10) . . ? Ag1 C311 3.744(12) . . ? Ag1 C316 3.946(13) . . ? Ag1 C321 3.958(12) . . ? Ag1 C331 3.904(12) . . ? Ag1 H116 3.4854(17) . . ? As1 C112 2.917(12) . . ? As1 C116 2.818(15) . . ? As1 C122 2.902(13) . . ? As1 C126 2.837(10) . . ? As1 C132 2.913(13) . . ? As1 C136 2.845(16) . . ? As1 H116 2.8510(17) . . ? As1 H122 2.9935(16) . . ? As1 H126 2.8787(16) . . ? As1 H136 2.8894(15) . . ? C111 C113 2.378(16) . . ? C111 C114 2.738(18) . . ? C111 C115 2.35(2) . . ? C111 C131 2.976(19) . . ? C111 H112 2.030(11) . . ? C111 H116 1.991(11) . . ? C112 C114 2.38(2) . . ? C112 C115 2.72(2) . . ? C112 C116 2.36(2) . . ? C112 H113 2.040(12) . . ? C113 C115 2.34(2) . . ? C113 C116 2.736(18) . . ? C113 H112 2.047(15) . . ? C113 H114 2.011(15) . . ? C114 C116 2.393(18) . . ? C114 H113 2.001(15) . . ? C114 H115 2.003(14) . . ? C115 H114 2.011(13) . . ? C115 H116 2.045(14) . . ? C116 H115 2.034(15) . . ? C121 C123 2.376(18) . . ? C121 C124 2.771(16) . . ? C121 C125 2.394(14) . . ? C121 C131 2.959(16) . . ? C121 H122 2.015(11) . . ? C121 H126 2.014(11) . . ? C122 C124 2.387(16) . . ? C122 C125 2.736(16) . . ? C122 C126 2.348(18) . . ? C122 H123 2.014(13) . . ? C123 C125 2.36(2) . . ? C123 C126 2.71(2) . . ? C123 H122 2.015(13) . . ? C123 H124 2.033(13) . . ? C124 C126 2.370(19) . . ? C124 H123 2.022(15) . . ? C124 H125 2.017(15) . . ? C125 H124 2.022(14) . . ? C125 H126 2.015(13) . . ? C126 H125 2.024(10) . . ? C131 C133 2.41(2) . . ? C131 C134 2.76(2) . . ? C131 C135 2.44(2) . . ? C131 H132 2.010(11) . . ? C131 H136 2.020(11) . . ? C132 C134 2.34(2) . . ? C132 C135 2.73(2) . . ? C132 C136 2.337(18) . . ? C132 H133 2.028(13) . . ? C133 C135 2.37(2) . . ? C133 C136 2.73(2) . . ? C133 H132 2.006(15) . . ? C133 H134 1.989(14) . . ? C134 C136 2.35(2) . . ? C134 H133 2.015(15) . . ? C134 H135 2.009(16) . . ? C135 H134 1.985(18) . . ? C135 H136 2.038(18) . . ? C136 H135 2.061(16) . . ? As2 C212 2.849(14) . . ? As2 C216 2.940(15) . . ? As2 C222 2.836(12) . . ? As2 C226 2.923(12) . . ? As2 C232 2.840(13) . . ? As2 C236 2.899(13) . . ? As2 H212 2.8903(14) . . ? As2 H222 2.8905(14) . . ? As2 H232 2.8771(16) . . ? As2 H236 2.9699(16) . . ? C211 C213 2.389(19) . . ? C211 C214 2.79(2) . . ? C211 C215 2.41(2) . . ? C211 C231 2.976(17) . . ? C211 H212 1.979(10) . . ? C211 H216 2.066(11) . . ? C212 C214 2.39(2) . . ? C212 C215 2.71(2) . . ? C212 C216 2.353(17) . . ? C212 H213 2.031(14) . . ? C213 C215 2.35(2) . . ? C213 C216 2.738(18) . . ? C213 H212 2.015(19) . . ? C213 H214 2.046(19) . . ? C214 C216 2.37(2) . . ? C214 H213 2.038(14) . . ? C214 H215 1.985(13) . . ? C215 H214 1.999(14) . . ? C215 H216 2.023(14) . . ? C216 H215 2.009(15) . . ? C221 C223 2.414(18) . . ? C221 C224 2.771(18) . . ? C221 C225 2.392(18) . . ? C221 H222 1.998(10) . . ? C221 H226 2.087(10) . . ? C222 C224 2.39(2) . . ? C222 C225 2.716(19) . . ? C222 C226 2.393(17) . . ? C222 H223 2.070(12) . . ? C223 C225 2.34(2) . . ? C223 C226 2.775(19) . . ? C223 H222 2.062(14) . . ? C223 H224 2.003(14) . . ? C224 C226 2.38(2) . . ? C224 H223 2.014(15) . . ? C224 H225 1.987(14) . . ? C225 H224 1.997(15) . . ? C225 H226 2.021(15) . . ? C226 H225 1.995(12) . . ? C231 C233 2.431(18) . . ? C231 C234 2.754(17) . . ? C231 C235 2.390(18) . . ? C231 H232 2.031(14) . . ? C231 H236 1.960(13) . . ? C232 C234 2.389(17) . . ? C232 C235 2.74(2) . . ? C232 C236 2.32(2) . . ? C232 H233 2.073(13) . . ? C233 C235 2.38(2) . . ? C233 C236 2.72(2) . . ? C233 H232 2.057(13) . . ? C233 H234 2.026(14) . . ? C234 C236 2.33(2) . . ? C234 H233 2.052(17) . . ? C234 H235 1.998(17) . . ? C235 H234 1.981(17) . . ? C235 H236 2.002(16) . . ? C236 H235 2.030(13) . . ? As3 C312 2.921(14) . . ? As3 C316 2.834(11) . . ? As3 C322 2.851(13) . . ? As3 C326 2.907(12) . . ? As3 C332 2.888(12) . . ? As3 C336 2.814(15) . . ? As3 H316 2.8624(13) . . ? As3 H322 2.8948(15) . . ? As3 H326 2.9901(14) . . ? As3 H332 2.9786(15) . . ? As3 H336 2.8693(16) . . ? C311 C313 2.40(2) . . ? C311 C314 2.726(16) . . ? C311 C315 2.373(15) . . ? C311 C331 2.961(15) . . ? C311 H312 2.044(12) . . ? C311 H316 1.992(11) . . ? C312 C314 2.375(15) . . ? C312 C315 2.767(17) . . ? C312 C316 2.38(2) . . ? C312 H313 2.050(13) . . ? C313 C315 2.38(2) . . ? C313 C316 2.75(2) . . ? C313 H312 2.055(11) . . ? C313 H314 1.994(11) . . ? C314 C316 2.37(2) . . ? C314 H313 2.007(15) . . ? C314 H315 2.034(15) . . ? C315 H314 2.014(17) . . ? C315 H316 2.034(16) . . ? C316 H315 2.042(11) . . ? C321 C323 2.398(18) . . ? C321 C324 2.779(18) . . ? C321 C325 2.364(16) . . ? C321 C331 2.953(17) . . ? C321 H322 2.001(11) . . ? C321 H326 2.007(11) . . ? C322 C324 2.379(19) . . ? C322 C325 2.685(18) . . ? C322 C326 2.321(17) . . ? C322 H323 2.042(13) . . ? C323 C325 2.32(2) . . ? C323 C326 2.714(18) . . ? C323 H322 2.034(15) . . ? C323 H324 2.015(15) . . ? C324 C326 2.378(19) . . ? C324 H323 2.006(14) . . ? C324 H325 2.002(14) . . ? C325 H324 2.019(14) . . ? C325 H326 2.006(14) . . ? C326 H325 2.000(11) . . ? C331 C333 2.415(18) . . ? C331 C334 2.816(18) . . ? C331 C335 2.42(2) . . ? C331 H332 1.992(13) . . ? C331 H336 2.031(13) . . ? C332 C334 2.37(2) . . ? C332 C335 2.71(2) . . ? C332 C336 2.34(2) . . ? C332 H333 2.040(12) . . ? C333 C335 2.33(2) . . ? C333 C336 2.74(2) . . ? C333 H332 2.030(13) . . ? C333 H334 1.989(14) . . ? C334 C336 2.44(2) . . ? C334 H333 1.978(19) . . ? C334 H335 2.037(18) . . ? C335 H334 2.049(16) . . ? C335 H336 2.062(16) . . ? C336 H335 2.056(15) . . ? Ag2 N2 3.31(2) . . ? Ag2 N2 3.31(2) . 2_557 ? Ag2 H124 3.3082(9) . . ? Ag2 H124 3.3082(9) . 2_557 ? Ag2 H125 3.2333(6) . . ? Ag2 H125 3.2332(6) . 2_557 ? Ag2 H234 3.1295(6) . . ? Ag2 H234 3.1295(6) . 2_557 ? N31 C33 2.18(3) . . ? N31 C34 2.70(3) . . ? N31 C35 2.18(3) . . ? N31 H32 2.056(16) . . ? N31 H36 2.019(15) . . ? C32 C34 2.38(3) . . ? C32 C35 2.56(2) . . ? C32 C36 2.35(2) . . ? C32 H33 1.88(2) . . ? C33 C35 2.09(3) . . ? C33 C36 2.54(3) . . ? C33 H32 1.95(2) . . ? C33 H34 2.04(2) . . ? C34 C36 2.32(4) . . ? C34 H33 1.89(2) . . ? C34 H35 1.89(2) . . ? C35 H34 2.03(3) . . ? C35 H36 1.94(3) . . ? C36 H35 1.83(2) . . ? N41 N41 2.74(3) . 2_567 ? N41 C41 2.74(3) . 2_567 ? N41 C42 2.29(3) . 2_567 ? N41 C43 2.36(2) . . ? N41 H42 2.010(15) . . ? N41 H43 2.005(15) . 2_567 ? C41 C41 2.74(3) . 2_567 ? C41 C42 2.29(3) . 2_567 ? C41 C43 2.36(2) . . ? C41 H42 2.010(15) . . ? C41 H43 2.005(15) . 2_567 ? C42 C42 2.60(2) . 2_567 ? C42 C43 2.31(2) . 2_567 ? C42 H41 2.048(17) . . ? C42 H43 1.930(17) . . ? C43 C43 2.69(2) 2_567 . ? C43 H41 2.005(19) 2_567 . ? C43 H42 1.947(19) 2_567 2_567 ? 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 C1 .0(4) . . . ? N1 Ag1 As1 110.6(2) . . . ? N1 Ag1 As2 109.4(3) . . . ? N1 Ag1 As3 105.6(3) . . . ? C1 Ag1 As1 110.6(2) . . . ? C1 Ag1 As2 109.4(3) . . . ? C1 Ag1 As3 105.6(3) . . . ? As1 Ag1 As2 111.60(6) . . . ? As1 Ag1 As3 109.84(6) . . . ? As2 Ag1 As3 109.63(5) . . . ? Ag1 N1 N1 178.9(8) . . 2_666 ? Ag1 C1 N1 178.9(8) . . 2_666 ? Ag1 As1 C111 119.2(3) . . . ? Ag1 As1 C121 117.1(3) . . . ? Ag1 As1 C131 112.4(4) . . . ? C111 As1 C121 103.2(5) . . . ? C111 As1 C131 100.9(5) . . . ? C121 As1 C131 101.4(5) . . . ? As1 C111 C112 121.7(10) . . . ? As1 C111 C116 116.9(8) . . . ? C112 C111 C116 121.4(11) . . . ? C111 C112 C113 118.8(13) . . . ? C111 C112 H112 120.7(12) . . . ? C113 C112 H112 120.6(12) . . . ? C112 C113 C114 120.5(12) . . . ? C112 C113 H113 119.9(15) . . . ? C114 C113 H113 119.6(13) . . . ? C113 C114 C115 119.3(13) . . . ? C113 C114 H114 120.6(13) . . . ? C115 C114 H114 120.1(16) . . . ? C114 C115 C116 121.0(15) . . . ? C114 C115 H115 119.5(15) . . . ? C116 C115 H115 119.5(13) . . . ? C111 C116 C115 119.1(12) . . . ? C111 C116 H116 120.5(13) . . . ? C115 C116 H116 120.4(15) . . . ? As1 C121 C122 123.3(8) . . . ? As1 C121 C126 118.5(9) . . . ? C122 C121 C126 118.2(10) . . . ? C121 C122 C123 120.7(11) . . . ? C121 C122 H122 119.7(11) . . . ? C123 C122 H122 119.6(14) . . . ? C122 C123 C124 120.8(14) . . . ? C122 C123 H123 119.6(13) . . . ? C124 C123 H123 119.6(13) . . . ? C123 C124 C125 118.8(12) . . . ? C123 C124 H124 120.6(15) . . . ? C125 C124 H124 120.5(13) . . . ? C124 C125 C126 119.8(11) . . . ? C124 C125 H125 120.1(12) . . . ? C126 C125 H125 120.1(14) . . . ? C121 C126 C125 121.6(12) . . . ? C121 C126 H126 119.3(11) . . . ? C125 C126 H126 119.1(11) . . . ? As1 C131 C132 124.6(9) . . . ? As1 C131 C136 119.0(10) . . . ? C132 C131 C136 116.2(12) . . . ? C131 C132 C133 123.0(12) . . . ? C131 C132 H132 118.5(13) . . . ? C133 C132 H132 118.4(12) . . . ? C132 C133 C134 118.2(13) . . . ? C132 C133 H133 121.0(13) . . . ? C134 C133 H133 120.9(16) . . . ? C133 C134 C135 122.9(15) . . . ? C133 C134 H134 118.4(16) . . . ? C135 C134 H134 118.7(15) . . . ? C134 C135 C136 117.3(14) . . . ? C134 C135 H135 121.2(18) . . . ? C136 C135 H135 121.5(16) . . . ? C131 C136 C135 122.3(13) . . . ? C131 C136 H136 118.8(15) . . . ? C135 C136 H136 118.9(14) . . . ? Ag1 As2 C211 118.2(3) . . . ? Ag1 As2 C221 112.3(4) . . . ? Ag1 As2 C231 116.7(4) . . . ? C211 As2 C221 103.0(6) . . . ? C211 As2 C231 101.2(5) . . . ? C221 As2 C231 103.5(5) . . . ? As2 C211 C212 120.4(11) . . . ? As2 C211 C216 122.3(8) . . . ? C212 C211 C216 117.2(13) . . . ? C211 C212 C213 122.9(14) . . . ? C211 C212 H212 118.6(15) . . . ? C213 C212 H212 118.5(12) . . . ? C212 C213 C214 119.3(12) . . . ? C212 C213 H213 120.4(17) . . . ? C214 C213 H213 120.3(17) . . . ? C213 C214 C215 118.8(15) . . . ? C213 C214 H214 120.7(13) . . . ? C215 C214 H214 120.5(15) . . . ? C214 C215 C216 122.1(14) . . . ? C214 C215 H215 119.1(15) . . . ? C216 C215 H215 118.8(12) . . . ? C211 C216 C215 119.8(11) . . . ? C211 C216 H216 120.1(14) . . . ? C215 C216 H216 120.1(14) . . . ? As2 C221 C222 119.9(8) . . . ? As2 C221 C226 121.4(9) . . . ? C222 C221 C226 118.7(11) . . . ? C221 C222 C223 121.3(12) . . . ? C221 C222 H222 119.4(12) . . . ? C223 C222 H222 119.3(12) . . . ? C222 C223 C224 118.6(13) . . . ? C222 C223 H223 120.5(14) . . . ? C224 C223 H223 120.8(14) . . . ? C223 C224 C225 120.2(14) . . . ? C223 C224 H224 119.9(14) . . . ? C225 C224 H224 119.9(14) . . . ? C224 C225 C226 123.1(13) . . . ? C224 C225 H225 118.6(15) . . . ? C226 C225 H225 118.3(14) . . . ? C221 C226 C225 117.9(11) . . . ? C221 C226 H226 121.1(12) . . . ? C225 C226 H226 121.0(12) . . . ? As2 C231 C232 117.3(9) . . . ? As2 C231 C236 125.0(11) . . . ? C232 C231 C236 117.5(11) . . . ? C231 C232 C233 120.8(12) . . . ? C231 C232 H232 119.6(11) . . . ? C233 C232 H232 119.5(14) . . . ? C232 C233 C234 117.1(14) . . . ? C232 C233 H233 121.3(14) . . . ? C234 C233 H233 121.6(13) . . . ? C233 C234 C235 122.1(13) . . . ? C233 C234 H234 118.9(16) . . . ? C235 C234 H234 119.0(15) . . . ? C234 C235 C236 118.1(15) . . . ? C234 C235 H235 121.1(15) . . . ? C236 C235 H235 120.8(17) . . . ? C231 C236 C235 124.3(15) . . . ? C231 C236 H236 117.8(13) . . . ? C235 C236 H236 117.9(15) . . . ? Ag1 As3 C311 109.3(3) . . . ? Ag1 As3 C321 120.1(4) . . . ? Ag1 As3 C331 119.1(4) . . . ? C311 As3 C321 103.7(5) . . . ? C311 As3 C331 101.0(5) . . . ? C321 As3 C331 101.2(5) . . . ? As3 C311 C312 121.3(7) . . . ? As3 C311 C316 117.7(10) . . . ? C312 C311 C316 120.9(11) . . . ? C311 C312 C313 118.5(11) . . . ? C311 C312 H312 120.8(12) . . . ? C313 C312 H312 120.7(14) . . . ? C312 C313 C314 119.4(14) . . . ? C312 C313 H313 120.3(12) . . . ? C314 C313 H313 120.3(12) . . . ? C313 C314 C315 122.0(12) . . . ? C313 C314 H314 119.0(15) . . . ? C315 C314 H314 119.0(13) . . . ? C314 C315 C316 118.3(12) . . . ? C314 C315 H315 121.1(14) . . . ? C316 C315 H315 120.7(16) . . . ? C311 C316 C315 120.8(14) . . . ? C311 C316 H316 119.5(11) . . . ? C315 C316 H316 119.7(12) . . . ? As3 C321 C322 119.2(9) . . . ? As3 C321 C326 123.0(9) . . . ? C322 C321 C326 117.6(11) . . . ? C321 C322 C323 121.6(12) . . . ? C321 C322 H322 119.4(12) . . . ? C323 C322 H322 119.1(12) . . . ? C322 C323 C324 120.0(12) . . . ? C322 C323 H323 120.0(14) . . . ? C324 C323 H323 120.0(14) . . . ? C323 C324 C325 117.9(13) . . . ? C323 C324 H324 121.1(14) . . . ? C325 C324 H324 121.0(13) . . . ? C324 C325 C326 122.1(12) . . . ? C324 C325 H325 119.0(13) . . . ? C326 C325 H325 118.9(13) . . . ? C321 C326 C325 120.9(12) . . . ? C321 C326 H326 119.6(11) . . . ? C325 C326 H326 119.5(12) . . . ? As3 C331 C332 125.0(10) . . . ? As3 C331 C336 117.8(10) . . . ? C332 C331 C336 117.1(12) . . . ? C331 C332 C333 122.9(13) . . . ? C331 C332 H332 118.5(11) . . . ? C333 C332 H332 118.6(13) . . . ? C332 C333 C334 121.1(14) . . . ? C332 C333 H333 119.4(14) . . . ? C334 C333 H333 119.5(13) . . . ? C333 C334 C335 118.1(14) . . . ? C333 C334 H334 121.0(17) . . . ? C335 C334 H334 120.9(18) . . . ? C334 C335 C336 120.7(15) . . . ? C334 C335 H335 119.8(15) . . . ? C336 C335 H335 119.6(16) . . . ? C331 C336 C335 119.8(15) . . . ? C331 C336 H336 120.1(14) . . . ? C335 C336 H336 120.1(16) . . . ? C32 N31 C36 121(2) . . . ? N31 C32 C33 112.7(16) . . . ? N31 C32 H32 126(2) . . . ? C33 C32 H32 121(2) . . . ? C32 C33 C34 132(2) . . . ? C32 C33 H33 115(2) . . . ? C34 C33 H33 112(2) . . . ? C33 C34 C35 106(2) . . . ? C33 C34 H34 126(2) . . . ? C35 C34 H34 128(2) . . . ? C34 C35 C36 133(2) . . . ? C34 C35 H35 114(2) . . . ? C36 C35 H35 113(2) . . . ? N31 C36 C35 114.6(18) . . . ? N31 C36 H36 121(2) . . . ? C35 C36 H36 124(2) . . . ? C42 N41 C43 115.6(17) . . 2_567 ? C42 N41 H41 122.8(17) . . . ? C43 N41 H41 121.6(15) 2_567 . . ? C42 C41 C43 115.6(17) . . 2_567 ? C42 C41 H41 122.8(17) . . . ? C43 C41 H41 121.6(15) 2_567 . . ? N41 C42 C41 .0(11) . . . ? N41 C42 H42 116.6(18) . . . ? N41 C42 C43 124.0(16) . . . ? C41 C42 H42 116.6(18) . . . ? C41 C42 C43 124.0(16) . . . ? H42 C42 C43 119.3(16) . . . ? N41 C43 C41 .0(12) . 2_567 . ? N41 C43 H43 120.5(18) . 2_567 2_567 ? N41 C43 C42 120.4(15) . 2_567 2_567 ? C41 C43 H43 120.5(18) . 2_567 2_567 ? C41 C43 C42 120.4(15) . 2_567 2_567 ? H43 C43 C42 119.0(17) 2_567 2_567 2_567 ? N41 H41 C41 .0(15) . . . ? C2 Ag2 C2 180.0(10) . . 2_557 ? Ag2 C2 N2 176.1(15) . . . ? 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 -16 _reflns_limit_h_max 16 _reflns_limit_k_min -14 _reflns_limit_k_max 15 _reflns_limit_l_min 0 _reflns_limit_l_max 13 _reflns_number_total 7280 #ActaC _reflns_number_observed 3699 #ActaC _reflns_observed_criterion refl_observed_if_Inet_>_.000_sigma(Inet) _reflns_d_resolution_high .929 _reflns_d_resolution_low 13.421 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 3.4882 #=END data_cnpagp _audit_creation_date 98-04-05 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common AgCN:PPh3:2-methylpyridine(1:2:1) #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum C124.0000_H104.0000_Ag3_P6_N4_O1 #ActaC _chemical_formula_weight 2175.67 #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #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 25.847(6) #ActaC _cell_length_b 14.743(5) #ActaC _cell_length_c 14.545(3) #ActaC _cell_angle_alpha 85.48(3) #ActaC _cell_angle_beta 84.96(2) #ActaC _cell_angle_gamma 79.79(3) #ActaC _cell_volume 5422(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 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 1.335 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 ? #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 ? #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 ? #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI ? #ActaC _diffrn_reflns_limit_h_min ? #ActaC _diffrn_reflns_limit_h_max ? #ActaC _diffrn_reflns_limit_k_min ? #ActaC _diffrn_reflns_limit_k_max ? #ActaC _diffrn_reflns_limit_l_min ? #ActaC _diffrn_reflns_limit_l_max ? #ActaC _diffrn_reflns_theta_min ? #ActaC _diffrn_reflns_theta_max ? #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 ? 0 246 .002 .002 Int_Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 212 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 P ? 0 12 .09 .095 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 O ? 0 2 .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 .31139(2) .33697(4) .63153(4) .0448(5) Uani ? ? C1 .2655(5) .2640(10) .5442(10) .045(12) Uani ? ? N1 .2413(5) .2256(9) .5060(9) .068(12) Uani ? ? N1' .2636(5) .2647(8) .5461(8) .055(11) Uani ? ? C1' .2409(5) .2242(8) .5071(8) .028(10) Uani ? ? P11 .27610(8) .51101(13) .60912(15) .0457(16) Uani ? ? C1111 .2080(3) .5619(5) .6377(5) .052(6) Uani ? ? C1112 .1832(4) .5392(7) .7219(7) .102(10) Uani ? ? C1113 .1322(4) .5802(7) .7486(8) .137(12) Uani ? ? C1114 .1057(3) .6470(6) .6912(8) .104(10) Uani ? ? C1115 .1285(3) .6723(5) .6080(7) .074(8) Uani ? ? C1116 .1794(3) .6308(5) .5820(6) .059(7) Uani ? ? C1121 .3119(3) .5872(5) .6604(5) .046(6) Uani ? ? C1122 .3655(3) .5597(5) .6693(6) .070(8) Uani ? ? C1123 .3950(3) .6135(6) .7121(7) .091(9) Uani ? ? C1124 .3699(4) .6950(6) .7433(6) .084(9) Uani ? ? C1125 .3179(3) .7246(6) .7359(6) .074(8) Uani ? ? C1126 .2886(3) .6714(5) .6945(6) .061(7) Uani ? ? C1131 .2837(3) .5398(5) .4867(5) .049(6) Uani ? ? C1132 .2597(3) .4944(5) .4275(5) .055(7) Uani ? ? C1133 .2640(3) .5101(6) .3335(6) .072(8) Uani ? ? C1134 .2930(4) .5757(6) .2947(5) .078(8) Uani ? ? C1135 .3169(3) .6233(6) .3503(6) .071(8) Uani ? ? C1136 .3128(3) .6057(5) .4456(5) .060(7) Uani ? ? P12 .40764(8) .29378(14) .56899(14) .0444(16) Uani ? ? C1211 .4256(3) .3134(5) .4457(5) .046(6) Uani ? ? C1212 .3899(3) .3668(6) .3908(6) .068(8) Uani ? ? C1213 .4024(4) .3778(6) .2972(6) .082(9) Uani ? ? C1214 .4490(4) .3357(6) .2579(6) .073(8) Uani ? ? C1215 .4846(3) .2813(6) .3103(6) .074(8) Uani ? ? C1216 .4728(3) .2699(6) .4050(6) .067(7) Uani ? ? C1221 .4263(3) .1694(5) .5820(5) .049(6) Uani ? ? C1222 .3953(3) .1196(5) .5418(6) .065(7) Uani ? ? C1223 .4043(4) .0251(6) .5470(7) .095(10) Uani ? ? C1224 .4458(4) -.0218(6) .5946(7) .102(10) Uani ? ? C1225 .4773(4) .0249(6) .6375(7) .089(9) Uani ? ? C1226 .4674(3) .1224(6) .6297(6) .069(8) Uani ? ? C1231 .4558(3) .3380(5) .6268(5) .049(6) Uani ? ? C1232 .4535(3) .3278(6) .7231(6) .073(8) Uani ? ? C1233 .4879(3) .3637(7) .7717(6) .083(9) Uani ? ? C1234 .5256(3) .4088(6) .7255(7) .096(10) Uani ? ? C1235 .5275(3) .4227(6) .6319(7) .085(9) Uani ? ? C1236 .4933(3) .3863(6) .5845(6) .065(7) Uani ? ? P13 .29441(8) .27232(14) .79712(14) .0455(16) Uani ? ? C1311 .2244(3) .3074(5) .8301(5) .048(6) Uani ? ? C1312 .1895(3) .2838(6) .7716(6) .066(8) Uani ? ? C1313 .1359(3) .3104(7) .7899(6) .085(9) Uani ? ? C1314 .1163(3) .3613(7) .8672(6) .081(9) Uani ? ? C1315 .1509(3) .3829(6) .9230(6) .070(8) Uani ? ? C1316 .2045(3) .3574(5) .9063(5) .057(7) Uani ? ? C1321 .3285(3) .3196(5) .8817(5) .052(7) Uani ? ? C1322 .3327(3) .4120(6) .8699(6) .069(8) Uani ? ? C1323 .3592(4) .4506(6) .9297(6) .078(9) Uani ? ? C1324 .3825(3) .3985(7) 1.0022(6) .083(9) Uani ? ? C1325 .3796(3) .3075(6) 1.0145(6) .078(9) Uani ? ? C1326 .3522(3) .2684(6) .9557(6) .065(7) Uani ? ? C1331 .3046(3) .1485(5) .8316(5) .052(7) Uani ? ? C1332 .3408(4) .0896(6) .7790(7) .087(9) Uani ? ? C1333 .3507(4) -.0035(7) .8060(8) .117(11) Uani ? ? C1334 .3246(4) -.0396(6) .8805(6) .085(9) Uani ? ? C1335 .2869(4) .0181(6) .9319(5) .068(8) Uani ? ? C1336 .2763(3) .1114(5) .9069(5) .061(7) Uani ? ? Ag2 .19286(2) .14868(4) .42665(4) .0454(5) Uani ? ? P21 .21958(8) -.02395(14) .46772(15) .0496(17) Uani ? ? C2111 .2870(3) -.0834(5) .4478(5) .052(6) Uani ? ? C2112 .3134(3) -.0687(6) .3631(6) .075(8) Uani ? ? C2113 .3640(4) -.1169(6) .3384(7) .091(9) Uani ? ? C2114 .3888(3) -.1771(6) .4049(7) .092(9) Uani ? ? C2115 .3648(3) -.1899(6) .4892(7) .086(9) Uani ? ? C2116 .3139(3) -.1432(5) .5116(6) .064(7) Uani ? ? C2121 .1815(3) -.0962(5) .4143(5) .048(6) Uani ? ? C2122 .1308(3) -.0620(5) .3962(6) .064(7) Uani ? ? C2123 .1003(3) -.1121(6) .3548(6) .069(8) Uani ? ? C2124 .1210(3) -.1987(6) .3309(6) .079(9) Uani ? ? C2125 .1722(4) -.2355(6) .3479(7) .089(9) Uani ? ? C2126 .2031(3) -.1845(6) .3899(6) .068(8) Uani ? ? C2131 .2058(3) -.0479(5) .5922(5) .049(6) Uani ? ? C2132 .2213(3) .0101(6) .6509(6) .073(8) Uani ? ? C2133 .2119(4) -.0036(7) .7443(6) .097(10) Uani ? ? C2134 .1857(4) -.0724(6) .7823(6) .080(9) Uani ? ? C2135 .1704(3) -.1290(5) .7235(6) .068(8) Uani ? ? C2136 .1803(3) -.1167(5) .6296(5) .056(7) Uani ? ? P22 .09591(8) .21008(14) .47570(15) .0482(17) Uani ? ? C2211 .0689(3) .1978(5) .5952(5) .052(6) Uani ? ? C2212 .0859(4) .1198(6) .6505(6) .076(8) Uani ? ? C2213 .0645(4) .1089(6) .7392(7) .094(10) Uani ? ? C2214 .0266(4) .1744(7) .7766(6) .085(9) Uani ? ? C2215 .0089(3) .2526(6) .7229(6) .075(8) Uani ? ? C2216 .0295(3) .2647(6) .6330(6) .067(7) Uani ? ? C2221 .0831(3) .3339(5) .4535(5) .047(6) Uani ? ? C2222 .1176(3) .3832(5) .4869(7) .076(8) Uani ? ? C2223 .1115(3) .4770(6) .4720(8) .102(10) Uani ? ? C2224 .0716(3) .5243(6) .4207(8) .097(9) Uani ? ? C2225 .0365(3) .4779(6) .3868(7) .081(8) Uani ? ? C2226 .0429(3) .3816(5) .4049(6) .063(7) Uani ? ? C2231 .0484(3) .1706(5) .4105(5) .048(6) Uani ? ? C2232 .0582(3) .1735(6) .3154(6) .066(7) Uani ? ? C2233 .0246(3) .1438(6) .2579(6) .074(8) Uani ? ? C2234 -.0187(3) .1098(6) .2982(6) .078(8) Uani ? ? C2235 -.0279(3) .1058(6) .3917(6) .077(8) Uani ? ? C2236 .0047(3) .1363(6) .4474(5) .063(7) Uani ? ? P23 .21772(8) .19259(14) .25647(14) .0476(17) Uani ? ? C2311 .2880(3) .1504(5) .2302(5) .046(6) Uani ? ? C2312 .3233(3) .1706(6) .2899(5) .061(7) Uani ? ? C2313 .3760(3) .1437(6) .2745(6) .075(8) Uani ? ? C2314 .3961(3) .0944(7) .1995(6) .084(9) Uani ? ? C2315 .3627(3) .0726(6) .1390(6) .073(8) Uani ? ? C2316 .3088(3) .1008(6) .1543(5) .062(7) Uani ? ? C2321 .1854(3) .1411(5) .1735(5) .051(6) Uani ? ? C2322 .1795(4) .0498(6) .1892(6) .073(8) Uani ? ? C2323 .1541(4) .0069(6) .1296(7) .092(10) Uani ? ? C2324 .1348(4) .0550(7) .0527(6) .087(9) Uani ? ? C2325 .1401(4) .1448(7) .0339(6) .094(10) Uani ? ? C2326 .1651(4) .1879(6) .0954(6) .075(8) Uani ? ? C2331 .2097(3) .3135(5) .2135(5) .045(6) Uani ? ? C2332 .1641(3) .3727(6) .2401(6) .069(8) Uani ? ? C2333 .1547(3) .4628(6) .2019(6) .082(9) Uani ? ? C2334 .1918(4) .4953(6) .1413(6) .070(8) Uani ? ? C2335 .2379(3) .4389(6) .1169(5) .069(8) Uani ? ? C2336 .2471(3) .3478(5) .1523(5) .057(7) Uani ? ? Ag3 .00000 .00000 1.00000 .166(2) Uani ? ? C3 .0462(5) -.1200(9) .9631(11) .176(17) Uani ? ? N3 .0728(6) -.1856(10) .9363(9) .24(2) Uani ? ? Ag4 .51187(10) .45275(17) .01529(18) .145(3) Uani ? ? C41 .5445(10) .3053(17) .0694(17) .30(5) Uani ? ? N41 .5604(7) .2101(15) .1082(15) .21(3) Uani ? ? C42 .4725(9) .5848(14) -.0259(17) .16(3) Uani ? ? N42 .4491(7) .6683(14) -.0474(13) .15(2) Uani ? ? N11 .2180(4) .7689(9) .0746(8) .28(2) Uani ? ? C12 .2441(5) .7133(7) .0051(6) .24(3) Uani ? ? C121 .2125(9) .6722(13) -.0593(11) .36(4) Uani ? ? C13 .2993(5) .6955(7) -.0049(7) .28(3) Uani ? ? C14 .3283(4) .7334(12) .0545(10) .43(5) Uani ? ? C15 .3022(7) .7889(11) .1239(9) .23(3) Uani ? ? C16 .2471(8) .8067(7) .1339(7) .44(6) Uani ? ? H121a .1911(10) .6358(16) -.0215(14) .31000 Uiso ? ? H121b .1907(9) .7225(17) -.0893(12) .31000 Uiso ? ? H121c .2302(13) .6345(13) -.1065(11) .31000 Uiso ? ? H13 .3170(8) .6578(10) -.0520(9) .21000 Uiso ? ? H14 .3657(4) .7213(18) .0478(14) .33000 Uiso ? ? H15 .3220(10) .8146(15) .1642(12) .25000 Uiso ? ? H16 .2294(11) .8443(9) .1810(9) .23100 Uiso ? ? C22 .5012(9) .0855(5) .9509(12) .26(4) Uani ? ? C221 .5023(18) .1778(11) .898(3) .49(5) Uiso ? ? C24 .5274(5) -.0236(17) 1.0788(5) .27(3) Uani ? ? C26 .4711(6) -.0622(14) .9677(14) .27(4) Uani ? ? H221a .516(2) .1651(18) .837(2) .40000 Uiso ? ? H221b .467(2) .2086(16) .898(3) .40000 Uiso ? ? H221c .522(2) .2202(10) .919(3) .40000 Uiso ? ? H24 .5465(9) -.040(3) 1.1323(9) .24000 Uiso ? ? H26 .4520(10) -.104(2) .946(2) .28000 Uiso ? ? C32 .0145(9) .4407(14) 1.0779(8) .29(4) Uani ? ? C321 .0303(18) .376(3) 1.1613(16) .78(10) Uiso ? ? C34 -.0330(5) .475(2) .9394(12) .28(4) Uani ? ? C36 .0183(9) .5841(8) .9858(16) .38(5) Uani ? ? H321a .0677(18) .361(4) 1.1558(19) .60000 Uiso ? ? H321b .0193(19) .410(4) 1.2143(10) .60000 Uiso ? ? H321c .018(2) .319(3) 1.173(3) .60000 Uiso ? ? H34 -.0562(8) .459(3) .899(2) .21000 Uiso ? ? H36 .0301(15) .6418(13) .977(3) .34000 Uiso ? ? O1 .1117(9) .7321(14) .1139(13) .21(3) Uani ? ? O2 .0790(10) .6569(14) .0979(16) .26(3) Uani ? ? H1112 .20166 .48965 .76432 .11500 Uiso ? ? H1113 .11737 .56652 .81237 .16500 Uiso ? ? H1114 .06848 .67436 .70912 .13300 Uiso ? ? H1115 .10855 .71904 .56525 .09900 Uiso ? ? H1116 .19731 .65025 .52312 .07200 Uiso ? ? H1122 .38264 .50018 .64783 .08700 Uiso ? ? H1123 .43207 .59210 .71635 .12200 Uiso ? ? H1124 .38836 .73431 .77392 .11400 Uiso ? ? H1125 .29895 .78381 .75914 .09300 Uiso ? ? H1126 .25056 .69369 .68882 .08000 Uiso ? ? H1132 .23803 .44866 .45477 .06900 Uiso ? ? H1133 .24705 .47581 .29437 .09300 Uiso ? ? H1134 .29573 .59191 .22800 .09500 Uiso ? ? H1135 .33880 .67157 .32471 .09400 Uiso ? ? H1136 .33193 .63974 .48567 .07400 Uiso ? ? H1212 .35509 .39652 .41738 .08400 Uiso ? ? H1213 .37890 .41613 .25504 .10100 Uiso ? ? H1214 .45764 .34143 .18969 .09200 Uiso ? ? H1215 .51899 .24958 .28369 .09300 Uiso ? ? H1216 .49880 .23021 .44350 .07600 Uiso ? ? H1222 .36582 .15502 .50499 .08000 Uiso ? ? H1223 .37908 -.00618 .51699 .12000 Uiso ? ? H1224 .45260 -.08914 .59789 .13000 Uiso ? ? H1225 .50754 -.00923 .67281 .10500 Uiso ? ? H1226 .48967 .15844 .65791 .08800 Uiso ? ? H1232 .42653 .29410 .75721 .09300 Uiso ? ? H1233 .48523 .35455 .84249 .10900 Uiso ? ? H1234 .54899 .43295 .76372 .12800 Uiso ? ? H1235 .55436 .45600 .59970 .11200 Uiso ? ? H1236 .49481 .39500 .51592 .08200 Uiso ? ? H1312 .20342 .25113 .71676 .08400 Uiso ? ? H1313 .11326 .29393 .74572 .10700 Uiso ? ? H1314 .07869 .37595 .87820 .10200 Uiso ? ? H1315 .13619 .41687 .97569 .08600 Uiso ? ? H1316 .22920 .37425 .94720 .07100 Uiso ? ? H1322 .31697 .44941 .81707 .08900 Uiso ? ? H1323 .36226 .51646 .92262 .10500 Uiso ? ? H1324 .40216 .42435 1.04585 .10800 Uiso ? ? H1325 .39560 .27049 1.06826 .10400 Uiso ? ? H1326 .35013 .20069 .96619 .07700 Uiso ? ? H1332 .35851 .11578 .72288 .10400 Uiso ? ? H1333 .37954 -.04391 .76983 .14000 Uiso ? ? H1334 .33091 -.10585 .89702 .10700 Uiso ? ? H1335 .26632 -.00490 .98666 .09300 Uiso ? ? H1336 .24831 .15524 .94058 .07600 Uiso ? ? H2112 .29482 -.02515 .31434 .08300 Uiso ? ? H2113 .38291 -.10856 .27782 .13100 Uiso ? ? H2114 .42513 -.21227 .39319 .12100 Uiso ? ? H2115 .38259 -.23341 .53625 .09300 Uiso ? ? H2116 .29676 -.15336 .57608 .07700 Uiso ? ? H2122 .11441 .00037 .41186 .08100 Uiso ? ? H2123 .06307 -.08678 .34413 .09500 Uiso ? ? H2124 .09946 -.23352 .29925 .09700 Uiso ? ? H2125 .18656 -.29941 .33189 .12400 Uiso ? ? H2126 .24024 -.21158 .39906 .09100 Uiso ? ? H2132 .23884 .06099 .62258 .08400 Uiso ? ? H2133 .22384 .03663 .78487 .12100 Uiso ? ? H2134 .17800 -.08157 .85182 .11900 Uiso ? ? H2135 .15309 -.18043 .74941 .09100 Uiso ? ? H2136 .16885 -.15913 .58949 .07800 Uiso ? ? H2212 .11275 .06919 .62874 .08900 Uiso ? ? H2213 .07486 .05346 .77732 .12500 Uiso ? ? H2214 .01216 .16674 .84098 .10500 Uiso ? ? H2215 -.01978 .29992 .74982 .09100 Uiso ? ? H2216 .01588 .32130 .59448 .07800 Uiso ? ? H2222 .14694 .34800 .52412 .08100 Uiso ? ? H2223 .13784 .50977 .49218 .16000 Uiso ? ? H2224 .06601 .59207 .41598 .11600 Uiso ? ? H2225 .00679 .50986 .34979 .10100 Uiso ? ? H2226 .01794 .34573 .38251 .07800 Uiso ? ? H2232 .08915 .19930 .28639 .07900 Uiso ? ? H2233 .03204 .15075 .19027 .09100 Uiso ? ? H2234 -.04103 .08596 .25781 .10600 Uiso ? ? H2235 -.05890 .08218 .41984 .10500 Uiso ? ? H2236 -.00310 .13384 .51344 .07400 Uiso ? ? H2312 .31018 .20271 .34687 .07300 Uiso ? ? H2313 .40059 .15591 .31769 .09600 Uiso ? ? H2314 .43358 .07936 .18822 .09700 Uiso ? ? H2315 .37612 .03692 .08653 .08900 Uiso ? ? H2316 .28472 .08359 .11101 .09200 Uiso ? ? H2322 .19468 .01262 .24639 .09200 Uiso ? ? H2323 .14985 -.05868 .14399 .12100 Uiso ? ? H2324 .11656 .02673 .00914 .11500 Uiso ? ? H2325 .12753 .18110 -.02340 .13100 Uiso ? ? H2326 .16794 .25398 .08423 .09700 Uiso ? ? H2332 .13738 .34911 .28544 .08100 Uiso ? ? H2333 .12033 .50464 .21825 .10800 Uiso ? ? H2334 .18565 .55848 .11676 .08700 Uiso ? ? H2335 .26574 .45936 .07172 .08200 Uiso ? ? H2336 .28132 .30639 .13669 .07100 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 .0442(4) .0421(4) .0486(4) -.0086(3) -.0026(3) -.0035(3) C1 .023(8) .055(10) .060(11) -.012(7) -.023(7) .004(8) N1 .068(10) .069(10) .075(11) -.032(8) -.022(8) .019(8) N1' .078(10) .036(8) .050(9) -.015(7) .007(7) -.010(6) C1' .027(8) .026(8) .032(9) .008(6) -.002(6) -.028(6) P11 .0436(13) .0342(12) .0590(15) -.0038(10) -.0072(11) -.0037(11) C1111 .049(5) .034(5) .076(6) -.012(4) -.004(4) -.006(4) C1112 .077(7) .077(7) .127(9) .017(6) .034(6) .030(6) C1113 .091(9) .102(9) .184(12) .012(7) .074(8) .036(8) C1114 .055(7) .064(7) .184(11) -.007(5) .027(7) -.007(7) C1115 .052(6) .043(5) .129(8) .001(4) -.025(6) -.008(5) C1116 .057(6) .048(5) .072(6) -.010(4) -.006(5) -.012(5) C1121 .053(5) .033(4) .053(5) -.010(4) -.014(4) .009(4) C1122 .054(6) .036(5) .119(8) .001(4) -.017(5) -.009(5) C1123 .062(6) .076(7) .143(10) -.026(5) -.037(6) -.005(6) C1124 .089(7) .072(7) .102(8) -.029(6) -.027(6) -.018(6) C1125 .083(7) .060(6) .083(7) -.011(5) -.008(6) -.028(5) C1126 .055(6) .053(5) .079(7) -.009(4) -.008(5) -.023(5) C1131 .050(5) .041(5) .057(6) -.006(4) -.009(4) -.010(4) C1132 .047(5) .049(5) .068(6) -.003(4) -.004(4) -.006(4) C1133 .082(7) .076(7) .062(6) -.011(5) -.025(5) -.007(5) C1134 .104(8) .074(7) .047(6) .002(6) -.005(5) .005(5) C1135 .086(7) .059(6) .068(6) -.011(5) .003(5) -.007(5) C1136 .074(6) .042(5) .062(6) -.009(4) -.008(5) .002(4) P12 .0376(12) .0405(13) .0545(14) -.0053(10) -.0016(10) -.0041(10) C1211 .045(5) .032(4) .062(6) -.012(4) .001(4) -.005(4) C1212 .063(6) .067(6) .068(6) .006(5) -.005(5) -.009(5) C1213 .098(8) .068(7) .072(7) .004(6) -.009(6) .004(5) C1214 .099(8) .065(6) .057(6) -.023(6) .013(5) -.003(5) C1215 .055(6) .088(7) .077(7) -.022(5) .020(5) .003(5) C1216 .048(5) .074(6) .073(6) -.003(5) .011(5) -.001(5) C1221 .044(5) .042(5) .057(5) -.001(4) .002(4) -.002(4) C1222 .079(7) .040(5) .078(7) -.005(5) -.011(5) -.011(5) C1223 .129(9) .048(6) .112(9) -.013(6) -.009(7) -.030(6) C1224 .136(10) .050(6) .112(9) -.001(6) .020(7) -.023(6) C1225 .080(7) .062(6) .104(8) .026(5) .005(6) .017(6) C1226 .051(6) .065(6) .088(7) -.004(5) .006(5) -.003(5) C1231 .035(5) .042(5) .070(6) -.002(4) -.009(4) -.009(4) C1232 .062(6) .091(7) .075(7) -.026(5) -.015(5) -.017(5) C1233 .067(7) .107(8) .079(7) -.015(6) -.014(5) -.025(6) C1234 .070(7) .088(8) .144(10) -.025(6) -.040(7) -.039(7) C1235 .067(7) .083(7) .117(8) -.041(6) -.026(6) .002(6) C1236 .048(5) .060(6) .090(7) -.015(5) -.015(5) .005(5) P13 .0497(14) .0478(13) .0412(14) -.0146(11) -.0043(11) -.0015(10) C1311 .050(5) .048(5) .046(5) -.012(4) .001(4) .001(4) C1312 .053(6) .088(7) .066(6) -.024(5) -.007(5) -.024(5) C1313 .049(6) .119(9) .093(8) -.026(6) -.009(5) -.014(6) C1314 .048(6) .106(8) .083(7) -.010(5) .007(5) .009(6) C1315 .061(6) .085(7) .056(6) -.001(5) .010(5) -.001(5) C1316 .051(5) .065(6) .053(6) -.008(4) .001(4) -.004(4) C1321 .055(5) .066(6) .037(5) -.017(4) -.001(4) -.004(4) C1322 .085(7) .064(6) .063(6) -.022(5) -.020(5) -.000(5) C1323 .098(8) .069(7) .078(7) -.042(6) -.011(6) -.014(5) C1324 .071(7) .121(9) .066(7) -.030(6) -.007(5) -.027(6) C1325 .087(7) .084(7) .072(7) -.034(6) -.037(6) .010(5) C1326 .073(6) .064(6) .065(6) -.027(5) -.020(5) .008(5) C1331 .057(5) .048(5) .055(6) -.012(4) -.010(4) -.007(4) C1332 .080(7) .059(6) .111(8) -.007(5) .023(6) .010(6) C1333 .121(10) .066(7) .149(11) -.010(7) .052(8) .001(7) C1334 .114(9) .045(6) .096(8) -.011(6) -.017(6) -.001(5) C1335 .108(8) .059(6) .047(6) -.043(5) -.010(5) .007(4) C1336 .082(7) .053(6) .051(6) -.022(5) .004(5) -.003(4) Ag2 .0443(4) .0410(4) .0510(4) -.0078(3) -.0032(3) -.0030(3) P21 .0476(14) .0338(12) .0673(16) -.0061(10) -.0121(12) .0040(11) C2111 .050(5) .035(5) .072(6) -.015(4) -.009(4) .005(4) C2112 .059(6) .054(6) .107(8) .004(5) -.013(5) -.001(5) C2113 .078(7) .063(7) .128(9) -.014(6) .019(6) -.004(6) C2114 .052(6) .060(6) .160(10) -.014(5) .013(6) .008(6) C2115 .053(6) .046(6) .160(10) -.005(5) -.035(6) .014(6) C2116 .056(6) .043(5) .092(7) -.005(4) -.021(5) .011(5) C2121 .045(5) .050(5) .048(5) -.005(4) -.006(4) -.005(4) C2122 .052(6) .048(5) .093(7) -.003(4) -.020(5) -.006(5) C2123 .046(5) .070(6) .094(7) -.013(5) -.014(5) .001(5) C2124 .066(6) .083(7) .100(8) -.032(5) -.028(6) -.014(6) C2125 .082(7) .060(6) .128(9) -.006(5) -.010(6) -.035(6) C2126 .050(6) .056(6) .101(7) -.003(4) -.018(5) -.023(5) C2131 .047(5) .040(5) .061(6) -.007(4) -.016(4) .004(4) C2132 .095(7) .058(6) .071(6) -.033(5) -.027(5) .021(5) C2133 .124(9) .106(8) .079(7) -.056(7) -.041(7) .003(6) C2134 .101(8) .084(7) .058(6) -.022(6) -.016(6) .005(5) C2135 .075(7) .053(6) .076(7) -.012(5) -.004(5) .008(5) C2136 .057(6) .050(5) .065(6) -.017(4) -.006(4) -.010(4) P22 .0372(13) .0459(13) .0618(15) -.0064(10) -.0028(11) -.0084(11) C2211 .042(5) .048(5) .067(6) -.006(4) -.010(4) -.007(4) C2212 .096(8) .051(6) .077(7) -.012(5) .017(6) -.003(5) C2213 .120(9) .060(7) .099(8) -.013(6) .004(7) .001(6) C2214 .092(8) .103(8) .066(7) -.043(6) .012(6) -.004(6) C2215 .054(6) .094(7) .075(7) -.007(5) .010(5) -.022(6) C2216 .044(5) .087(7) .065(6) .002(5) .003(5) -.011(5) C2221 .037(5) .036(5) .070(6) -.008(4) -.003(4) -.008(4) C2222 .062(6) .034(5) .129(9) .007(4) -.007(6) -.020(5) C2223 .056(6) .073(7) .181(11) -.006(5) -.018(7) -.036(7) C2224 .067(7) .042(6) .179(11) -.006(5) .011(7) -.020(6) C2225 .058(6) .063(6) .115(8) .006(5) -.003(6) .003(6) C2226 .056(6) .043(5) .089(7) -.005(4) -.008(5) -.007(5) C2231 .042(5) .044(5) .057(5) -.003(4) .002(4) -.003(4) C2232 .044(5) .072(6) .085(7) -.016(5) -.000(5) -.013(5) C2233 .066(6) .089(7) .069(7) -.014(5) -.013(5) -.013(5) C2234 .060(6) .078(7) .104(8) -.014(5) -.027(6) -.030(6) C2235 .063(6) .082(7) .094(7) -.027(5) -.012(5) -.013(6) C2236 .049(5) .079(7) .062(6) -.016(5) -.002(4) -.005(5) P23 .0507(14) .0515(14) .0418(14) -.0141(11) .0004(11) -.0017(11) C2311 .046(5) .053(5) .041(5) -.014(4) -.004(4) .004(4) C2312 .050(5) .068(6) .065(6) -.014(5) .006(4) -.010(5) C2313 .059(6) .096(8) .075(7) -.019(5) -.012(5) -.016(6) C2314 .054(6) .099(8) .092(8) -.004(5) -.012(5) .012(6) C2315 .067(6) .080(7) .060(6) .014(5) .018(5) -.007(5) C2316 .067(6) .070(6) .046(5) -.007(5) .001(4) -.010(5) C2321 .057(5) .061(6) .039(5) -.022(4) .004(4) -.003(4) C2322 .093(7) .062(6) .070(7) -.023(5) -.012(5) -.006(5) C2323 .115(9) .080(7) .097(8) -.049(7) -.020(7) -.008(6) C2324 .083(7) .118(9) .080(7) -.064(7) -.011(6) -.025(6) C2325 .114(9) .122(9) .065(7) -.059(7) -.031(6) -.000(6) C2326 .093(7) .075(7) .066(6) -.036(6) -.016(5) .002(5) C2331 .051(5) .050(5) .037(5) -.013(4) -.005(4) -.004(4) C2332 .065(6) .064(6) .077(7) -.016(5) -.000(5) .007(5) C2333 .075(7) .061(6) .107(8) -.000(5) -.012(6) -.003(6) C2334 .100(8) .057(6) .056(6) -.021(5) -.016(5) .005(5) C2335 .095(7) .073(6) .044(6) -.027(6) .006(5) -.014(5) C2336 .074(6) .051(5) .048(5) -.017(5) .010(4) -.012(4) Ag3 .1519(15) .247(2) .1236(13) -.1161(15) -.0377(11) .0482(13) C3 .139(13) .147(13) .245(17) -.024(10) -.069(12) .034(12) N3 .227(16) .269(17) .225(15) -.027(13) -.083(12) -.006(12) Ag4 .098(2) .253(4) .107(2) -.085(2) .0110(15) -.049(2) C41 .22(3) .54(6) .22(3) -.28(4) .16(3) -.27(4) N41 .108(16) .29(3) .24(3) .037(17) -.053(16) -.23(2) C42 .13(2) .18(3) .21(3) -.08(2) .02(2) -.09(2) N42 .105(16) .20(2) .156(19) -.053(15) .016(13) -.086(16) N11 .37(3) .168(16) .24(2) .022(16) .179(18) -.048(14) C12 .30(3) .137(19) .24(3) .03(2) .09(3) .13(2) C121 .60(6) .34(3) .16(2) -.19(3) -.02(2) .13(2) C13 .29(3) .25(3) .18(2) .14(2) .09(2) .083(17) C14 .53(5) .31(4) .30(4) .11(3) .29(4) .15(3) C15 .31(3) .110(15) .22(2) .031(16) .07(2) .064(14) C16 .41(5) .26(3) .53(6) .18(3) .05(4) .05(3) C22 .095(17) .41(4) .27(3) -.01(2) .031(16) -.20(3) C24 .107(17) .52(4) .175(17) -.02(2) .050(14) -.16(3) C26 .107(17) .42(4) .27(3) -.02(2) .026(19) -.09(3) C32 .070(14) .49(4) .32(3) -.02(2) .053(18) -.27(3) C34 .106(16) .39(4) .32(4) .05(2) .04(2) -.12(3) C36 .14(3) .60(5) .41(5) .01(3) .11(3) -.33(4) O1 .26(3) .22(2) .165(18) -.050(19) .014(17) -.081(16) O2 .30(3) .146(19) .28(3) .031(19) .07(2) -.026(18) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details ? _refine_ls_structure_factor_coef ? #ActaC _refine_ls_matrix_type ? #ActaC _refine_ls_weighting_scheme ? #ActaC _refine_ls_hydrogen_treatment ? #ActaC _refine_ls_extinction_method ? #ActaC _refine_ls_extinction_coef ? #ActaC _refine_ls_extinction_expression ? _refine_ls_abs_structure_details ? #ActaC _refine_ls_abs_structure_Flack ? #ActaC _refine_ls_number_reflns ? #ActaC _refine_ls_number_parameters ? #ActaC _refine_ls_number_restraints ? #ActaC _refine_ls_number_constraints ? #ActaC _refine_ls_R_factor_all ? #ActaC _refine_ls_R_factor_obs ? #ActaC _refine_ls_wR_factor_all ? #ActaC _refine_ls_wR_factor_obs ? #ActaC _refine_ls_goodness_of_fit_all ? #ActaC _refine_ls_goodness_of_fit_obs ? #ActaC _refine_ls_shift/esd_max ? #ActaC _refine_ls_shift/esd_mean ? #ActaC _refine_diff_density_min ? #ActaC _refine_diff_density_max ? #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 C1 2.261(15) . . ? Ag1 N1' 2.271(13) . . ? Ag1 P11 2.572(2) . . ? Ag1 P12 2.560(2) . . ? Ag1 P13 2.550(2) . . ? C1 N1 1.12(2) . . ? C1 N1' .055(17) . . ? C1 C1' 1.13(2) . . ? N1 N1' 1.11(2) . . ? N1 Ag2 2.269(14) . . ? N1' C1' 1.122(19) . . ? C1' Ag2 2.257(13) . . ? P11 C1111 1.814(7) . . ? P11 C1121 1.815(8) . . ? P11 C1131 1.800(7) . . ? C1111 C1112 1.377(12) . . ? C1111 C1116 1.392(10) . . ? C1112 C1113 1.384(14) . . ? C1112 H1112 1.000(9) . . ? C1113 C1114 1.367(14) . . ? C1113 H1113 .992(12) . . ? C1114 C1115 1.355(14) . . ? C1114 H1114 .995(9) . . ? C1115 C1116 1.383(10) . . ? C1115 H1115 .995(8) . . ? C1116 H1116 .984(8) . . ? C1121 C1122 1.387(11) . . ? C1121 C1126 1.390(10) . . ? C1122 C1123 1.405(14) . . ? C1122 H1122 .973(7) . . ? C1123 C1124 1.352(12) . . ? C1123 H1123 .959(9) . . ? C1124 C1125 1.348(13) . . ? C1124 H1124 .969(10) . . ? C1125 C1126 1.385(13) . . ? C1125 H1125 .991(8) . . ? C1126 H1126 .988(8) . . ? C1131 C1132 1.380(12) . . ? C1131 C1136 1.399(11) . . ? C1132 C1133 1.366(11) . . ? C1132 H1132 .989(8) . . ? C1133 C1134 1.382(13) . . ? C1133 H1133 .970(9) . . ? C1134 C1135 1.365(13) . . ? C1134 H1134 .980(8) . . ? C1135 C1136 1.389(11) . . ? C1135 H1135 1.013(9) . . ? C1136 H1136 1.010(9) . . ? P12 C1211 1.826(7) . . ? P12 C1221 1.811(7) . . ? P12 C1231 1.799(8) . . ? C1211 C1212 1.371(10) . . ? C1211 C1216 1.382(10) . . ? C1212 C1213 1.375(12) . . ? C1212 H1212 .988(8) . . ? C1213 C1214 1.355(12) . . ? C1213 H1213 .976(9) . . ? C1214 C1215 1.355(12) . . ? C1214 H1214 .998(8) . . ? C1215 C1216 1.388(11) . . ? C1215 H1215 .989(8) . . ? C1216 H1216 .991(8) . . ? C1221 C1222 1.373(12) . . ? C1221 C1226 1.372(11) . . ? C1222 C1223 1.368(11) . . ? C1222 H1222 1.013(8) . . ? C1223 C1224 1.378(14) . . ? C1223 H1223 1.008(11) . . ? C1224 C1225 1.372(15) . . ? C1224 H1224 .975(9) . . ? C1225 C1226 1.412(12) . . ? C1225 H1225 1.008(9) . . ? C1226 H1226 .982(9) . . ? C1231 C1232 1.393(11) . . ? C1231 C1236 1.378(11) . . ? C1232 C1233 1.381(14) . . ? C1232 H1232 1.002(9) . . ? C1233 C1234 1.374(13) . . ? C1233 H1233 1.025(9) . . ? C1234 C1235 1.358(14) . . ? C1234 H1234 .984(11) . . ? C1235 C1236 1.371(13) . . ? C1235 H1235 .985(9) . . ? C1236 H1236 .994(9) . . ? P13 C1311 1.825(7) . . ? P13 C1321 1.821(8) . . ? P13 C1331 1.834(7) . . ? C1311 C1312 1.397(12) . . ? C1311 C1316 1.389(10) . . ? C1312 C1313 1.380(11) . . ? C1312 H1312 .972(8) . . ? C1313 C1314 1.408(13) . . ? C1313 H1313 .977(10) . . ? C1314 C1315 1.352(13) . . ? C1314 H1314 .960(8) . . ? C1315 C1316 1.375(11) . . ? C1315 H1315 .962(8) . . ? C1316 H1316 .984(8) . . ? C1321 C1322 1.381(12) . . ? C1321 C1326 1.389(10) . . ? C1322 C1323 1.368(13) . . ? C1322 H1322 .985(8) . . ? C1323 C1324 1.373(12) . . ? C1323 H1323 .984(9) . . ? C1324 C1325 1.354(14) . . ? C1324 H1324 .984(10) . . ? C1325 C1326 1.377(13) . . ? C1325 H1325 .994(8) . . ? C1326 H1326 1.008(8) . . ? C1331 C1332 1.381(11) . . ? C1331 C1336 1.393(11) . . ? C1332 C1333 1.382(13) . . ? C1332 H1332 .986(9) . . ? C1333 C1334 1.349(14) . . ? C1333 H1333 1.004(10) . . ? C1334 C1335 1.383(12) . . ? C1334 H1334 .976(8) . . ? C1335 C1336 1.380(11) . . ? C1335 H1335 .989(8) . . ? C1336 H1336 1.001(7) . . ? Ag2 P21 2.554(2) . . ? Ag2 P22 2.567(2) . . ? Ag2 P23 2.564(2) . . ? P21 C2111 1.815(7) . . ? P21 C2121 1.828(8) . . ? P21 C2131 1.833(8) . . ? C2111 C2112 1.376(11) . . ? C2111 C2116 1.374(10) . . ? C2112 C2113 1.405(11) . . ? C2112 H2112 1.012(8) . . ? C2113 C2114 1.380(13) . . ? C2113 H2113 .979(10) . . ? C2114 C2115 1.340(14) . . ? C2114 H2114 .997(8) . . ? C2115 C2116 1.398(11) . . ? C2115 H2115 .985(9) . . ? C2116 H2116 1.013(8) . . ? C2121 C2122 1.359(10) . . ? C2121 C2126 1.382(11) . . ? C2122 C2123 1.375(13) . . ? C2122 H2122 .978(8) . . ? C2123 C2124 1.353(12) . . ? C2123 H2123 .989(8) . . ? C2124 C2125 1.375(12) . . ? C2124 H2124 .984(10) . . ? C2125 C2126 1.394(14) . . ? C2125 H2125 .988(9) . . ? C2126 H2126 .989(8) . . ? C2131 C2132 1.384(12) . . ? C2131 C2136 1.359(11) . . ? C2132 C2133 1.364(12) . . ? C2132 H2132 .989(9) . . ? C2133 C2134 1.371(14) . . ? C2133 H2133 .974(11) . . ? C2134 C2135 1.368(13) . . ? C2134 H2134 1.016(8) . . ? C2135 C2136 1.371(11) . . ? C2135 H2135 .982(8) . . ? C2136 H2136 .986(8) . . ? P22 C2211 1.823(8) . . ? P22 C2221 1.805(7) . . ? P22 C2231 1.814(8) . . ? C2211 C2212 1.379(10) . . ? C2211 C2216 1.392(10) . . ? C2212 C2213 1.368(13) . . ? C2212 H2212 .976(8) . . ? C2213 C2214 1.357(12) . . ? C2213 H2213 .961(9) . . ? C2214 C2215 1.372(12) . . ? C2214 H2214 .983(8) . . ? C2215 C2216 1.378(11) . . ? C2215 H2215 .999(8) . . ? C2216 H2216 .996(8) . . ? C2221 C2222 1.385(12) . . ? C2221 C2226 1.366(10) . . ? C2222 C2223 1.366(12) . . ? C2222 H2222 1.013(8) . . ? C2223 C2224 1.379(13) . . ? C2223 H2223 .979(11) . . ? C2224 C2225 1.374(14) . . ? C2224 H2224 .982(8) . . ? C2225 C2226 1.407(11) . . ? C2225 H2225 1.002(9) . . ? C2226 H2226 .993(9) . . ? C2231 C2232 1.383(11) . . ? C2231 C2236 1.368(11) . . ? C2232 C2233 1.401(13) . . ? C2232 H2232 .994(8) . . ? C2233 C2234 1.373(12) . . ? C2233 H2233 .986(8) . . ? C2234 C2235 1.359(13) . . ? C2234 H2234 .983(10) . . ? C2235 C2236 1.372(13) . . ? C2235 H2235 .974(9) . . ? C2236 H2236 .963(8) . . ? P23 C2311 1.830(7) . . ? P23 C2321 1.810(8) . . ? P23 C2331 1.824(7) . . ? C2311 C2312 1.396(11) . . ? C2311 C2316 1.388(10) . . ? C2312 C2313 1.354(11) . . ? C2312 H2312 .991(8) . . ? C2313 C2314 1.372(12) . . ? C2313 H2313 .979(9) . . ? C2314 C2315 1.378(13) . . ? C2314 H2314 .957(8) . . ? C2315 C2316 1.385(11) . . ? C2315 H2315 .966(8) . . ? C2316 H2316 .999(9) . . ? C2321 C2322 1.380(12) . . ? C2321 C2326 1.378(11) . . ? C2322 C2323 1.385(14) . . ? C2322 H2322 1.027(8) . . ? C2323 C2324 1.359(13) . . ? C2323 H2323 .996(10) . . ? C2324 C2325 1.358(14) . . ? C2324 H2324 .981(10) . . ? C2325 C2326 1.399(14) . . ? C2325 H2325 1.001(9) . . ? C2326 H2326 .990(9) . . ? C2331 C2332 1.381(10) . . ? C2331 C2336 1.392(11) . . ? C2332 C2333 1.387(12) . . ? C2332 H2332 1.000(8) . . ? C2333 C2334 1.369(12) . . ? C2333 H2333 1.009(8) . . ? C2334 C2335 1.362(11) . . ? C2334 H2334 .963(8) . . ? C2335 C2336 1.387(11) . . ? C2335 H2335 1.001(8) . . ? C2336 H2336 1.000(7) . . ? Ag3 C3 2.033(13) . . ? Ag3 C3 2.033(13) . 2_557 ? C3 N3 1.155(19) . . ? Ag4 C41 2.29(2) . . ? Ag4 C42 2.10(2) . . ? Ag4 Ag4 1.471(3) . 2_665 ? Ag4 C42 .64(2) . 2_665 ? Ag4 N42 1.932(18) . 2_665 ? C41 N41 1.47(3) . . ? C41 C42 1.69(3) . 2_665 ? C41 N42 .53(3) . 2_665 ? N41 N42 1.92(3) . 2_665 ? C42 N42 1.30(3) . . ? N11 C12 1.400(15) . . ? N11 C16 1.40(2) . . ? C12 C121 1.52(2) . . ? C12 C13 1.401(18) . . ? C121 H121a .95(3) . . ? C121 H121b .95(3) . . ? C121 H121c .95(3) . . ? C13 C14 1.40(2) . . ? C13 H13 .950(17) . . ? C14 C15 1.40(2) . . ? C14 H14 .950(14) . . ? C15 C16 1.40(3) . . ? C15 H15 .95(3) . . ? C16 H16 .950(18) . . ? C22 C221 1.51(2) . . ? C22 C24 1.39(3) . 2_657 ? C22 C26 1.43(3) . 2_657 ? C221 H221a .95(5) . . ? C221 H221b .95(6) . . ? C221 H221c .95(6) . . ? C24 H24 .95(2) . . ? C24 C26 1.39(3) . 2_657 ? C26 H26 .95(4) . . ? C32 C321 1.52(3) . . ? C32 C34 1.40(3) . 2_567 ? C32 C36 1.42(3) . 2_567 ? C321 H321a .95(6) . . ? C321 H321b .95(4) . . ? C321 H321c .95(6) . . ? C34 H34 .95(4) . . ? C34 C36 1.38(3) . 2_567 ? C36 H36 .95(3) . . ? O1 O2 1.55(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 Ag1 N1 3.379(14) . . ? Ag1 C1' 3.391(13) . . ? Ag1 C1111 3.875(7) . . ? Ag1 C1121 3.748(7) . . ? Ag1 C1122 3.885(8) . . ? Ag1 C1131 3.523(7) . . ? Ag1 C1132 3.807(7) . . ? Ag1 C1211 3.810(7) . . ? Ag1 C1212 3.924(8) . . ? Ag1 C1221 3.571(7) . . ? Ag1 C1222 3.792(7) . . ? Ag1 C1231 3.728(7) . . ? Ag1 C1232 3.992(9) . . ? Ag1 C1311 3.550(7) . . ? Ag1 C1312 3.767(8) . . ? Ag1 C1321 3.687(7) . . ? Ag1 C1322 3.834(9) . . ? Ag1 C1331 3.877(7) . . ? Ag1 C1332 4.068(9) . . ? Ag1 H1112 3.7816(8) . . ? Ag1 H1122 3.3129(10) . . ? Ag1 H1132 3.4640(8) . . ? Ag1 H1212 3.3243(8) . . ? Ag1 H1222 3.3982(9) . . ? Ag1 H1232 3.5644(8) . . ? Ag1 H1312 3.3650(8) . . ? Ag1 H1322 3.3030(8) . . ? Ag1 H1332 3.4751(11) . . ? C1 Ag2 3.389(15) . . ? C1 H1132 2.920(14) . . ? C1 H1222 2.835(12) . . ? C1 H1312 2.870(13) . . ? N1 H2132 2.856(13) . . ? N1 H2222 2.771(12) . . ? N1 H2312 2.797(12) . . ? N1' Ag2 3.379(13) . . ? N1' H1132 2.917(11) . . ? N1' H1222 2.884(11) . . ? N1' H1312 2.824(11) . . ? C1' H2132 2.829(12) . . ? C1' H2222 2.772(11) . . ? C1' H2312 2.815(11) . . ? P11 C1112 2.774(10) . . ? P11 C1116 2.831(7) . . ? P11 C1122 2.768(9) . . ? P11 C1126 2.836(9) . . ? P11 C1132 2.749(8) . . ? P11 C1136 2.838(8) . . ? P11 H1112 2.870(2) . . ? P11 H1116 2.913(2) . . ? P11 H1122 2.833(2) . . ? P11 H1126 2.960(2) . . ? P11 H1132 2.808(2) . . ? P11 H1136 2.981(2) . . ? C1111 C1113 2.416(13) . . ? C1111 C1114 2.791(11) . . ? C1111 C1115 2.431(10) . . ? C1111 C1121 2.828(11) . . ? C1111 C1126 3.055(12) . . ? C1111 C1131 2.809(10) . . ? C1111 C1132 3.378(11) . . ? C1111 H1112 2.063(7) . . ? C1111 H1116 2.040(7) . . ? C1111 H1126 2.582(8) . . ? C1112 C1114 2.378(12) . . ? C1112 C1115 2.740(12) . . ? C1112 C1116 2.351(12) . . ? C1112 H1113 2.058(9) . . ? C1113 C1115 2.364(14) . . ? C1113 C1116 2.727(14) . . ? C1113 H1112 2.057(10) . . ? C1113 H1114 2.049(10) . . ? C1114 C1116 2.363(12) . . ? C1114 H1113 2.059(10) . . ? C1114 H1115 2.047(11) . . ? C1115 H1114 2.041(8) . . ? C1115 H1116 2.064(8) . . ? C1115 H2136 2.846(9) . 1_565 ? C1115 H2223 3.000(9) . . ? C1116 C1131 3.055(10) . . ? C1116 H1115 2.072(7) . . ? C1116 H1126 2.826(9) . . ? C1116 H2223 2.709(9) . . ? C1121 C1123 2.441(12) . . ? C1121 C1124 2.773(13) . . ? C1121 C1125 2.413(12) . . ? C1121 C1131 2.861(11) . . ? C1121 C1136 3.113(11) . . ? C1121 H1122 2.042(7) . . ? C1121 H1126 2.063(6) . . ? C1121 H1136 2.632(7) . . ? C1121 H1322 2.927(7) . . ? C1122 C1124 2.363(13) . . ? C1122 C1125 2.731(11) . . ? C1122 C1126 2.367(10) . . ? C1122 H1123 2.051(9) . . ? C1122 H1136 2.971(9) . . ? C1122 H1322 2.921(8) . . ? C1123 C1125 2.364(11) . . ? C1123 C1126 2.761(12) . . ? C1123 H1122 2.063(10) . . ? C1123 H1124 2.032(10) . . ? C1124 C1126 2.367(13) . . ? C1124 H1123 2.038(8) . . ? C1124 H1125 2.063(8) . . ? C1125 H1124 1.981(9) . . ? C1125 H1126 2.061(10) . . ? C1125 H2116 2.856(8) . 1_565 ? C1126 H1125 2.037(9) . . ? C1131 C1133 2.417(12) . . ? C1131 C1134 2.798(11) . . ? C1131 C1135 2.425(11) . . ? C1131 H1116 2.560(7) . . ? C1131 H1132 2.042(8) . . ? C1131 H1136 2.091(8) . . ? C1131 H1212 2.741(7) . . ? C1132 C1134 2.370(11) . . ? C1132 C1135 2.726(12) . . ? C1132 C1136 2.362(12) . . ? C1132 H1116 2.934(7) . . ? C1132 H1133 2.039(8) . . ? C1132 H1212 2.626(7) . . ? C1133 C1135 2.377(13) . . ? C1133 C1136 2.755(13) . . ? C1133 H1132 2.034(8) . . ? C1133 H1134 2.079(8) . . ? C1133 H1212 2.935(8) . . ? C1134 C1136 2.389(12) . . ? C1134 H1133 2.049(10) . . ? C1134 H1135 2.091(10) . . ? C1134 H1213 2.989(8) . . ? C1135 H1134 2.017(9) . . ? C1135 H1136 2.081(9) . . ? C1135 H2126 2.945(8) . 1_565 ? C1136 H1135 2.059(8) . . ? P12 C1212 2.772(8) . . ? P12 C1216 2.805(8) . . ? P12 C1222 2.707(8) . . ? P12 C1226 2.838(8) . . ? P12 C1232 2.745(9) . . ? P12 C1236 2.832(9) . . ? P12 H1212 2.876(2) . . ? P12 H1216 2.914(2) . . ? P12 H1222 2.735(2) . . ? P12 H1226 2.954(2) . . ? P12 H1232 2.823(2) . . ? P12 H1236 2.933(2) . . ? C1211 C1213 2.372(11) . . ? C1211 C1214 2.752(11) . . ? C1211 C1215 2.408(11) . . ? C1211 C1221 2.787(10) . . ? C1211 C1222 3.272(11) . . ? C1211 C1231 2.880(11) . . ? C1211 C1236 3.151(12) . . ? C1211 H1212 2.061(7) . . ? C1211 H1216 2.064(7) . . ? C1211 H1236 2.641(8) . . ? C1212 C1214 2.378(11) . . ? C1212 C1215 2.756(11) . . ? C1212 C1216 2.372(11) . . ? C1212 H1213 2.075(8) . . ? C1213 C1215 2.353(12) . . ? C1213 C1216 2.718(12) . . ? C1213 H1212 2.051(8) . . ? C1213 H1214 2.059(8) . . ? C1214 C1216 2.365(11) . . ? C1214 Ag4 4.135(8) . . ? C1214 H1213 1.984(8) . . ? C1214 H1215 2.063(8) . . ? C1215 H1214 2.025(8) . . ? C1215 H1216 2.062(8) . . ? C1216 C1221 3.123(11) . . ? C1216 C1236 3.363(13) . . ? C1216 H1215 2.053(8) . . ? C1216 H1236 2.707(9) . . ? C1221 C1223 2.400(13) . . ? C1221 C1224 2.768(11) . . ? C1221 C1225 2.419(11) . . ? C1221 C1231 2.862(11) . . ? C1221 H1216 2.832(7) . . ? C1221 H1222 2.051(8) . . ? C1221 H1226 2.031(8) . . ? C1221 H1332 2.739(7) . . ? C1222 C1224 2.366(11) . . ? C1222 C1225 2.747(12) . . ? C1222 C1226 2.360(12) . . ? C1222 H1223 2.037(8) . . ? C1222 H1332 2.720(8) . . ? C1223 C1225 2.393(15) . . ? C1223 C1226 2.759(14) . . ? C1223 H1222 2.069(8) . . ? C1223 H1224 2.040(9) . . ? C1224 C1226 2.395(13) . . ? C1224 H1223 2.112(11) . . ? C1224 H1225 2.081(11) . . ? C1224 H1333 2.972(10) . . ? C1225 H1224 2.041(10) . . ? C1225 H1226 2.097(9) . . ? C1226 C1231 3.136(11) . . ? C1226 C1232 3.364(13) . . ? C1226 H1225 2.108(8) . . ? C1231 C1233 2.413(12) . . ? C1231 C1234 2.787(13) . . ? C1231 C1235 2.422(12) . . ? C1231 H1122 2.792(6) . . ? C1231 H1226 2.653(7) . . ? C1231 H1232 2.077(7) . . ? C1231 H1236 2.032(7) . . ? C1232 C1234 2.388(14) . . ? C1232 C1235 2.754(13) . . ? C1232 C1236 2.354(12) . . ? C1232 H221b 2.98(3) . . ? C1232 H1226 2.719(9) . . ? C1232 H1233 2.078(9) . . ? C1233 C1235 2.369(13) . . ? C1233 C1236 2.712(12) . . ? C1233 Ag4 4.008(10) . 1_556 ? C1233 C221 3.16(2) . . ? C1233 H221a 2.99(3) . . ? C1233 H221b 2.91(3) . . ? C1233 H221c 2.96(4) . . ? C1233 H1232 2.069(10) . . ? C1233 H1234 2.018(10) . . ? C1234 C1236 2.349(14) . . ? C1234 H1233 2.096(10) . . ? C1234 H1235 2.032(10) . . ? C1235 H1234 2.066(10) . . ? C1235 H1236 2.052(10) . . ? C1236 H1235 2.066(9) . . ? P13 C1312 2.743(8) . . ? P13 C1316 2.850(7) . . ? P13 C1322 2.755(9) . . ? P13 C1326 2.848(9) . . ? P13 C1332 2.771(9) . . ? P13 C1336 2.840(8) . . ? P13 H1312 2.792(2) . . ? P13 H1316 2.973(2) . . ? P13 H1322 2.816(2) . . ? P13 H1326 2.985(2) . . ? P13 H1332 2.821(2) . . ? P13 H1336 2.912(2) . . ? C1311 C1313 2.403(12) . . ? C1311 C1314 2.782(11) . . ? C1311 C1315 2.389(10) . . ? C1311 C1321 2.895(11) . . ? C1311 C1331 2.840(9) . . ? C1311 C1336 3.127(10) . . ? C1311 H1112 2.760(7) . . ? C1311 H1312 2.057(8) . . ? C1311 H1316 2.057(7) . . ? C1311 H1336 2.666(7) . . ? C1312 C1314 2.417(11) . . ? C1312 C1315 2.754(12) . . ? C1312 C1316 2.406(12) . . ? C1312 H1313 2.016(8) . . ? C1313 C1315 2.376(13) . . ? C1313 C1316 2.765(13) . . ? C1313 H1312 2.055(8) . . ? C1313 H1314 2.031(8) . . ? C1314 C1316 2.388(12) . . ? C1314 H1313 2.108(10) . . ? C1314 H1315 1.980(10) . . ? C1314 H2325 2.969(9) . 1_556 ? C1315 H1314 2.052(9) . . ? C1315 H1316 2.064(8) . . ? C1315 H2326 2.914(8) . 1_556 ? C1316 C1321 3.146(11) . . ? C1316 H1112 2.722(7) . . ? C1316 H1315 2.046(7) . . ? C1321 C1323 2.388(13) . . ? C1321 C1324 2.776(13) . . ? C1321 C1325 2.413(12) . . ? C1321 C1331 2.864(11) . . ? C1321 H1232 2.968(7) . . ? C1321 H1316 2.664(7) . . ? C1321 H1322 2.049(7) . . ? C1321 H1326 2.081(7) . . ? C1322 C1324 2.384(12) . . ? C1322 C1325 2.746(11) . . ? C1322 C1326 2.368(11) . . ? C1322 H1316 2.938(9) . . ? C1322 H1323 2.062(9) . . ? C1323 C1325 2.358(12) . . ? C1323 C1326 2.719(12) . . ? C1323 Ag4 4.013(10) . 2_666 ? C1323 H1322 2.050(9) . . ? C1323 H1324 2.076(9) . . ? C1324 C1326 2.363(14) . . ? C1324 Ag4 3.773(10) . 2_666 ? C1324 Ag4 3.596(10) . 1_556 ? C1324 H1323 2.025(9) . . ? C1324 H1325 2.036(9) . . ? C1325 H221b 2.94(4) . . ? C1325 H1324 2.009(10) . . ? C1325 H1326 2.062(10) . . ? C1325 H2336 2.972(9) . 1_556 ? C1326 C1331 3.093(12) . . ? C1326 H1325 2.069(9) . . ? C1331 C1333 2.385(12) . . ? C1331 C1334 2.776(11) . . ? C1331 C1335 2.406(11) . . ? C1331 H1326 2.603(8) . . ? C1331 H1332 2.042(7) . . ? C1331 H1336 2.051(7) . . ? C1332 C1334 2.389(12) . . ? C1332 C1335 2.759(12) . . ? C1332 C1336 2.389(12) . . ? C1332 H1333 2.052(8) . . ? C1333 C1335 2.357(13) . . ? C1333 C1336 2.733(12) . . ? C1333 H1332 2.083(10) . . ? C1333 H1334 2.033(10) . . ? C1334 C1336 2.393(11) . . ? C1334 H1333 2.047(9) . . ? C1334 H1335 2.088(9) . . ? C1335 H1334 2.049(8) . . ? C1335 H1336 2.098(8) . . ? C1335 H2133 2.768(9) . . ? C1335 H2316 2.842(8) . 1_556 ? C1336 H1326 2.736(9) . . ? C1336 H1335 2.035(8) . . ? C1336 H2133 2.731(9) . . ? C1336 H2316 2.987(8) . 1_556 ? Ag2 C2111 3.839(7) . . ? Ag2 C2112 4.154(8) . . ? Ag2 C2121 3.693(8) . . ? Ag2 C2122 3.811(9) . . ? Ag2 C2131 3.607(7) . . ? Ag2 C2132 3.767(8) . . ? Ag2 C2211 3.858(7) . . ? Ag2 C2212 4.128(9) . . ? Ag2 C2221 3.590(6) . . ? Ag2 C2222 3.782(8) . . ? Ag2 C2231 3.716(7) . . ? Ag2 C2232 3.914(8) . . ? Ag2 C2311 3.604(7) . . ? Ag2 C2312 3.812(8) . . ? Ag2 C2321 3.715(7) . . ? Ag2 C2322 3.919(9) . . ? Ag2 C2331 3.829(7) . . ? Ag2 C2332 4.110(8) . . ? Ag2 H2112 3.7001(9) . . ? Ag2 H2122 3.2652(9) . . ? Ag2 H2132 3.2672(8) . . ? Ag2 H2212 3.6809(8) . . ? Ag2 H2222 3.3434(10) . . ? Ag2 H2232 3.4520(8) . . ? Ag2 H2312 3.3569(9) . . ? Ag2 H2322 3.4167(9) . . ? Ag2 H2332 3.6146(9) . . ? P21 C2112 2.752(8) . . ? P21 C2116 2.831(8) . . ? P21 C2122 2.762(9) . . ? P21 C2126 2.816(9) . . ? P21 C2132 2.755(9) . . ? P21 C2136 2.831(8) . . ? P21 H2112 2.827(2) . . ? P21 H2116 2.972(2) . . ? P21 H2122 2.859(2) . . ? P21 H2126 2.958(2) . . ? P21 H2132 2.784(2) . . ? P21 H2136 2.965(2) . . ? C2111 C2113 2.442(12) . . ? C2111 C2114 2.790(11) . . ? C2111 C2115 2.413(11) . . ? C2111 C2121 2.851(11) . . ? C2111 C2126 3.049(12) . . ? C2111 C2131 2.845(10) . . ? C2111 H2112 2.069(7) . . ? C2111 H2116 2.072(7) . . ? C2111 H2126 2.589(8) . . ? C2112 C2114 2.381(11) . . ? C2112 C2115 2.719(12) . . ? C2112 C2116 2.344(12) . . ? C2112 H2113 2.113(8) . . ? C2113 C2115 2.367(14) . . ? C2113 C2116 2.762(13) . . ? C2113 H2112 2.080(9) . . ? C2113 H2114 2.089(9) . . ? C2114 C2116 2.379(12) . . ? C2114 H2113 2.039(10) . . ? C2114 H2115 2.027(10) . . ? C2115 H1136 2.796(9) . 1_545 ? C2115 H1223 2.861(9) . . ? C2115 H2114 1.999(9) . . ? C2115 H2116 2.089(9) . . ? C2116 C2131 3.072(10) . . ? C2116 H1223 2.860(9) . . ? C2116 H2115 2.062(7) . . ? C2116 H2126 2.968(9) . . ? C2121 C2123 2.396(12) . . ? C2121 C2124 2.769(13) . . ? C2121 C2125 2.394(12) . . ? C2121 C2131 2.887(11) . . ? C2121 C2136 3.121(10) . . ? C2121 H2122 2.041(7) . . ? C2121 H2126 2.081(7) . . ? C2121 H2136 2.656(7) . . ? C2121 H2322 2.843(7) . . ? C2122 C2124 2.356(13) . . ? C2122 C2125 2.712(12) . . ? C2122 C2126 2.357(10) . . ? C2122 H2123 2.068(9) . . ? C2122 H2322 2.884(8) . . ? C2123 C2125 2.359(11) . . ? C2123 C2126 2.758(11) . . ? C2123 H2122 2.014(9) . . ? C2123 H2124 2.025(9) . . ? C2124 C2126 2.406(13) . . ? C2124 O1 3.43(2) . 1_545 ? C2124 H2123 2.030(8) . . ? C2124 H2125 2.047(8) . . ? C2125 H1116 2.997(9) . 1_545 ? C2125 H2124 2.061(10) . . ? C2125 H2126 2.064(10) . . ? C2126 H2125 2.076(9) . . ? C2126 H2136 2.992(9) . . ? C2131 C2133 2.381(12) . . ? C2131 C2134 2.775(11) . . ? C2131 C2135 2.373(11) . . ? C2131 H2116 2.581(7) . . ? C2131 H2132 2.041(8) . . ? C2131 H2136 2.043(8) . . ? C2131 H2212 2.738(7) . . ? C2132 C2134 2.388(12) . . ? C2132 C2135 2.723(12) . . ? C2132 C2136 2.359(12) . . ? C2132 H2133 2.027(9) . . ? C2132 H2212 2.825(9) . . ? C2133 C2135 2.345(14) . . ? C2133 C2136 2.718(14) . . ? C2133 H2132 2.069(9) . . ? C2133 H2134 2.090(10) . . ? C2134 C2136 2.387(12) . . ? C2134 H2133 2.033(10) . . ? C2134 H2135 2.036(10) . . ? C2135 H2134 2.080(9) . . ? C2135 H2136 2.039(9) . . ? C2136 H2135 2.043(7) . . ? C2136 H2212 2.977(7) . . ? P22 C2212 2.788(8) . . ? P22 C2216 2.817(8) . . ? P22 C2222 2.728(9) . . ? P22 C2226 2.818(8) . . ? P22 C2232 2.733(9) . . ? P22 C2236 2.838(9) . . ? P22 H2212 2.929(2) . . ? P22 H2216 2.927(2) . . ? P22 H2222 2.777(2) . . ? P22 H2226 2.919(2) . . ? P22 H2232 2.793(2) . . ? P22 H2236 2.965(2) . . ? C2211 C2213 2.387(12) . . ? C2211 C2214 2.785(11) . . ? C2211 C2215 2.406(11) . . ? C2211 C2221 2.808(10) . . ? C2211 C2231 2.855(11) . . ? C2211 C2236 3.107(12) . . ? C2211 H2212 2.076(7) . . ? C2211 H2216 2.075(7) . . ? C2211 H2236 2.636(8) . . ? C2212 C2214 2.380(12) . . ? C2212 C2215 2.735(11) . . ? C2212 C2216 2.372(11) . . ? C2212 H2213 2.041(8) . . ? C2213 C2215 2.348(12) . . ? C2213 C2216 2.726(12) . . ? C2213 H2212 2.004(9) . . ? C2213 H2214 2.046(9) . . ? C2214 C2216 2.389(12) . . ? C2214 Ag3 4.070(9) . . ? C2214 O1 3.85(2) . 2_566 ? C2214 O2 3.79(2) . 2_566 ? C2214 H2213 1.987(9) . . ? C2214 H2215 2.048(9) . . ? C2215 O1 3.73(2) . 2_566 ? C2215 O2 3.49(2) . 2_566 ? C2215 H1313 2.921(9) . . ? C2215 H2124 2.911(9) . 2_556 ? C2215 H2214 2.051(8) . . ? C2215 H2216 2.062(8) . . ? C2216 C2221 3.037(11) . . ? C2216 H1313 2.936(9) . . ? C2216 H2215 2.075(8) . . ? C2216 H2236 2.970(9) . . ? C2221 C2223 2.393(13) . . ? C2221 C2224 2.777(11) . . ? C2221 C2225 2.424(10) . . ? C2221 C2231 2.845(11) . . ? C2221 H2216 2.586(7) . . ? C2221 H2222 2.067(8) . . ? C2221 H2226 2.027(7) . . ? C2221 H2332 2.724(7) . . ? C2222 C2224 2.382(11) . . ? C2222 C2225 2.765(12) . . ? C2222 C2226 2.361(13) . . ? C2222 H2223 2.035(8) . . ? C2222 H2332 2.997(9) . . ? C2223 C2225 2.388(14) . . ? C2223 C2226 2.734(14) . . ? C2223 H2222 2.075(9) . . ? C2223 H2224 2.041(9) . . ? C2224 C2226 2.385(13) . . ? C2224 H2216 2.920(8) . 2_566 ? C2224 H2223 2.050(10) . . ? C2224 H2225 2.093(10) . . ? C2225 H321b 2.87(3) . 1_554 ? C2225 H2224 2.054(9) . . ? C2225 H2226 2.095(9) . . ? C2226 C2231 3.083(11) . . ? C2226 C2232 3.373(12) . . ? C2226 H321b 2.87(2) . 1_554 ? C2226 H2216 2.895(8) . . ? C2226 H2225 2.087(7) . . ? C2226 H2332 2.860(8) . . ? C2231 C2233 2.435(12) . . ? C2231 C2234 2.785(13) . . ? C2231 C2235 2.385(12) . . ? C2231 H2122 2.773(7) . . ? C2231 H2226 2.573(7) . . ? C2231 H2232 2.061(7) . . ? C2231 H2236 2.022(7) . . ? C2232 C2234 2.382(13) . . ? C2232 C2235 2.712(12) . . ? C2232 C2236 2.352(11) . . ? C2232 H321c 2.98(4) . 1_554 ? C2232 H2226 2.786(8) . . ? C2232 H2233 2.067(9) . . ? C2233 C2235 2.363(12) . . ? C2233 C2236 2.757(11) . . ? C2233 H321c 2.76(4) . 1_554 ? C2233 H2232 2.070(9) . . ? C2233 H2234 2.029(9) . . ? C2234 C2236 2.383(13) . . ? C2234 H2233 2.078(9) . . ? C2234 H2235 2.023(9) . . ? C2235 H2234 2.058(9) . . ? C2235 H2236 2.031(10) . . ? C2236 H2235 2.033(9) . . ? P23 C2312 2.771(8) . . ? P23 C2316 2.855(8) . . ? P23 C2322 2.757(10) . . ? P23 C2326 2.823(9) . . ? P23 C2332 2.772(8) . . ? P23 C2336 2.825(8) . . ? P23 H2312 2.859(2) . . ? P23 H2316 2.994(2) . . ? P23 H2322 2.838(2) . . ? P23 H2326 2.924(2) . . ? P23 H2332 2.849(2) . . ? P23 H2336 2.927(2) . . ? C2311 C2313 2.402(11) . . ? C2311 C2314 2.777(11) . . ? C2311 C2315 2.409(10) . . ? C2311 C2321 2.874(11) . . ? C2311 C2331 2.866(9) . . ? C2311 C2336 3.078(10) . . ? C2311 H2112 2.757(7) . . ? C2311 H2312 2.082(8) . . ? C2311 H2316 2.076(7) . . ? C2311 H2336 2.565(7) . . ? C2312 C2314 2.363(11) . . ? C2312 C2315 2.743(11) . . ? C2312 C2316 2.381(12) . . ? C2312 H2313 2.044(8) . . ? C2313 C2315 2.382(13) . . ? C2313 C2316 2.752(13) . . ? C2313 H2312 2.016(8) . . ? C2313 H2314 2.012(8) . . ? C2314 C2316 2.390(12) . . ? C2314 H2313 2.027(10) . . ? C2314 H2315 2.051(10) . . ? C2315 H2314 2.046(9) . . ? C2315 H2316 2.067(9) . . ? C2316 C2321 3.130(11) . . ? C2316 H2112 2.899(8) . . ? C2316 H2315 2.038(7) . . ? C2316 H2336 2.984(8) . . ? C2321 C2323 2.415(13) . . ? C2321 C2324 2.784(13) . . ? C2321 C2325 2.424(12) . . ? C2321 C2331 2.839(11) . . ? C2321 H2232 2.893(7) . . ? C2321 H2316 2.660(7) . . ? C2321 H2322 2.082(7) . . ? C2321 H2326 2.039(7) . . ? C2322 C2324 2.372(13) . . ? C2322 C2325 2.739(12) . . ? C2322 C2326 2.351(11) . . ? C2322 H2316 2.965(9) . . ? C2322 H2323 2.065(9) . . ? C2323 C2325 2.362(13) . . ? C2323 C2326 2.735(13) . . ? C2323 H16 2.90(2) . 1_545 ? C2323 H2322 2.089(10) . . ? C2323 H2324 2.052(10) . . ? C2324 C2326 2.377(14) . . ? C2324 Ag3 3.868(10) . 1_554 ? C2324 H2323 2.057(9) . . ? C2324 H2325 2.075(9) . . ? C2325 H2324 2.010(11) . . ? C2325 H2326 2.083(11) . . ? C2326 C2331 3.053(12) . . ? C2326 H1336 2.981(8) . 1_554 ? C2326 H2325 2.071(9) . . ? C2331 C2333 2.401(10) . . ? C2331 C2334 2.774(10) . . ? C2331 C2335 2.411(11) . . ? C2331 H2326 2.534(8) . . ? C2331 H2332 2.063(7) . . ? C2331 H2336 2.068(7) . . ? C2332 C2334 2.391(12) . . ? C2332 C2335 2.755(12) . . ? C2332 C2336 2.385(11) . . ? C2332 H321a 2.91(5) . 1_554 ? C2332 H2326 2.956(9) . . ? C2332 H2333 2.085(8) . . ? C2333 C2335 2.369(12) . . ? C2333 C2336 2.749(11) . . ? C2333 O2 3.49(2) . . ? C2333 H1133 2.882(10) . . ? C2333 H2332 2.082(9) . . ? C2333 H2334 2.028(9) . . ? C2334 C2336 2.383(10) . . ? C2334 O1 3.74(2) . . ? C2334 O2 3.49(2) . . ? C2334 H1133 2.718(9) . . ? C2334 H2333 2.064(9) . . ? C2334 H2335 2.083(9) . . ? C2335 H1133 2.719(8) . . ? C2335 H1316 2.756(8) . 1_554 ? C2335 H2334 2.022(8) . . ? C2335 H2336 2.085(8) . . ? C2336 H1133 2.906(8) . . ? C2336 H2326 2.942(9) . . ? C2336 H2335 2.046(8) . . ? Ag3 N3 3.186(14) . 2_557 ? Ag3 N3 3.186(14) . . ? Ag3 H2213 3.7273(6) . 2_557 ? Ag3 H2213 3.7273(6) . . ? Ag3 H2214 3.2774(7) . . ? Ag3 H2214 3.2774(7) . 2_557 ? Ag3 H2324 3.1223(7) . 2_556 ? Ag3 H2324 3.1223(7) . 1_556 ? C3 O1 3.32(2) . 1_546 ? C3 O2 3.70(2) . 1_546 ? N3 H36 2.95(3) . 1_545 ? N3 O1 2.95(2) . 1_546 ? N3 O2 3.16(3) . 1_546 ? Ag4 C41 3.76(2) . 2_665 ? Ag4 N41 3.76(2) . . ? Ag4 N42 3.397(18) . . ? Ag4 H14 3.798(17) . 2_665 ? Ag4 H221c 3.77(3) . 1_554 ? Ag4 H1214 3.260(3) . . ? Ag4 H1233 3.659(3) . 2_666 ? Ag4 H1233 3.181(3) . 1_554 ? Ag4 H1234 3.721(3) . 1_554 ? Ag4 H1323 3.565(3) . 2_666 ? Ag4 H1324 2.930(3) . 1_554 ? Ag4 H1324 3.136(3) . 2_666 ? C41 H14 2.74(3) . 2_665 ? C41 H221c 2.76(5) . 1_554 ? C41 H26 2.97(4) . 2_656 ? C41 H1124 2.94(3) . 2_666 ? C41 H1214 2.72(2) . . ? N41 C42 3.16(3) . 2_665 ? N41 C26 2.79(3) . 2_656 ? N41 H221c 3.00(6) . 1_554 ? N41 H26 1.89(4) . 2_656 ? N41 H1124 2.53(2) . 2_666 ? N41 H1215 2.75(2) . . ? N41 H1334 2.952(18) . 2_656 ? C42 C42 2.73(3) . 2_665 ? N42 C14 3.35(2) . . ? N42 H14 2.49(2) . . ? N42 H221c 2.82(5) . 2_666 ? N11 C121 2.53(2) . . ? N11 C13 2.426(15) . . ? N11 C14 2.799(14) . . ? N11 C15 2.42(2) . . ? N11 H121a 2.71(3) . . ? N11 H121b 2.71(2) . . ? N11 H16 2.05(2) . . ? N11 O1 2.89(3) . . ? C12 C14 2.425(18) . . ? C12 C15 2.80(2) . . ? C12 C16 2.424(15) . . ? C12 H121a 2.01(3) . . ? C12 H121b 2.01(2) . . ? C12 H121c 2.16(2) . . ? C12 H13 2.05(2) . . ? C12 O1 3.61(2) . . ? C121 C13 2.53(3) . . ? C121 H13 2.68(3) . . ? C121 O1 3.51(3) . . ? C13 C15 2.425(19) . . ? C13 C16 2.799(15) . . ? C13 H121c 2.72(3) . . ? C13 H14 2.05(2) . . ? C14 C16 2.42(2) . . ? C14 H13 2.05(2) . . ? C14 H15 2.05(3) . . ? C15 H14 2.05(2) . . ? C15 H16 2.05(3) . . ? C16 H15 2.05(3) . . ? C16 O1 3.89(3) . . ? C16 H2323 2.914(15) . 1_565 ? H121a H121b 1.55(3) . . ? H121a H121c 1.53(3) . . ? H121a O1 2.97(3) . . ? H121a O2 3.22(3) . . ? H121a H2334 2.24(2) . . ? H121b H121c 1.53(3) . . ? H121b O1 3.44(3) . . ? H121c H13 2.53(4) . . ? H13 H14 2.35(3) . . ? H13 H1323 2.243(15) . 1_554 ? H14 H15 2.35(3) . . ? H15 H16 2.35(4) . . ? H16 H2323 2.36(2) . 1_565 ? C22 C22 2.806(15) . 2_657 ? C22 C24 2.42(2) . . ? C22 C26 2.43(2) . . ? C22 H221a 2.00(4) . . ? C22 H221b 2.00(3) . . ? C22 H221c 2.15(3) . . ? C22 H24 2.03(3) . 2_657 ? C22 H26 2.08(4) . 2_657 ? C221 C24 2.51(4) . 2_657 ? C221 C26 2.54(4) . 2_657 ? C221 H24 2.66(5) . 2_657 ? C221 H26 2.71(5) . 2_657 ? C221 H1233 2.640(17) . . ? C24 C24 2.778(14) . 2_657 ? C24 C26 2.43(3) . . ? C24 H221a 2.70(4) . 2_657 ? C24 H221b 2.70(3) . 2_657 ? C24 H26 2.05(4) . 2_657 ? C26 C26 2.82(3) . 2_657 ? C26 H221c 2.74(4) . 2_657 ? C26 H24 2.03(3) . 2_657 ? H221a H221b 1.55(6) . . ? H221a H221c 1.52(6) . . ? H221b H221c 1.52(8) . . ? H221b H1232 2.52(4) . . ? H221b H1233 2.35(3) . . ? H221c H26 2.56(5) . 2_657 ? H221c H1233 2.29(3) . . ? H24 H26 2.34(5) . 2_657 ? C32 C32 2.82(2) . 2_567 ? C32 C34 2.42(2) . . ? C32 C36 2.42(2) . . ? C32 H321a 2.01(4) . . ? C32 H321b 2.01(2) . . ? C32 H321c 2.17(4) . . ? C32 H34 2.05(5) . 2_567 ? C32 H36 2.06(4) . 2_567 ? C321 C34 2.55(4) . 2_567 ? C321 C36 2.55(4) . 2_567 ? C321 H34 2.69(6) . 2_567 ? C321 H36 2.71(6) . 2_567 ? C34 C34 2.78(3) . 2_567 ? C34 C36 2.42(3) . . ? C34 H321a 2.73(5) . 2_567 ? C34 H321b 2.73(4) . 2_567 ? C34 H36 2.03(4) . 2_567 ? C34 O2 2.57(4) . 2_566 ? C36 C36 2.79(2) . 2_567 ? C36 H321c 2.76(4) . 2_567 ? C36 H34 2.02(4) . 2_567 ? C36 O2 2.76(4) . 1_556 ? H321a H321b 1.55(6) . . ? H321a H321c 1.52(8) . . ? H321b H321c 1.52(6) . . ? H321b H2225 2.51(4) . 1_556 ? H321b H2226 2.55(2) . 1_556 ? H321c H36 2.58(6) . 2_567 ? H321c H2233 2.44(4) . 1_556 ? H34 H36 2.32(5) . 2_567 ? H34 O1 3.40(5) . 2_566 ? H34 O2 1.90(5) . 2_566 ? H34 H2333 2.44(3) . 2_566 ? H36 O2 2.30(5) . 1_556 ? O1 H2124 2.76(2) . 1_565 ? O1 H2214 3.32(2) . 2_566 ? O1 H2215 3.04(2) . 2_566 ? O1 H2323 3.47(2) . 1_565 ? O1 H2334 2.91(2) . . ? O2 H2214 3.30(2) . 2_566 ? O2 H2215 2.63(2) . 2_566 ? O2 H2333 2.85(2) . . ? O2 H2334 2.90(2) . . ? H1112 H1113 2.3455(5) . . ? H1113 H1114 2.3717(4) . . ? H1114 H1115 2.3514(4) . . ? H1115 H1116 2.3861(5) . . ? H1122 H1123 2.3479(4) . . ? H1123 H1124 2.3757(6) . . ? H1124 H1125 2.3204(5) . . ? H1124 H1215 2.5122(5) . 2_666 ? H1125 H1126 2.3246(4) . . ? H1132 H1133 2.3341(5) . . ? H1133 H1134 2.3947(5) . . ? H1134 H1135 2.3656(4) . . ? H1135 H1136 2.3486(5) . . ? H1212 H1213 2.3954(5) . . ? H1213 H1214 2.2998(4) . . ? H1214 H1215 2.3549(4) . . ? H1215 H1216 2.3435(5) . . ? H1216 H1224 2.3247(6) . 2_656 ? H1222 H1223 2.3350(8) . . ? H1223 H1224 2.4153(4) . . ? H1224 H1225 2.3789(4) . . ? H1225 H1226 2.4288(8) . . ? H1226 H2114 2.5042(5) . 2_656 ? H1232 H1233 2.3705(4) . . ? H1233 H1234 2.3451(4) . . ? H1234 H1235 2.3784(5) . . ? H1235 H1236 2.3782(4) . . ? H1312 H1313 2.3139(5) . . ? H1313 H1314 2.3781(4) . . ? H1314 H1315 2.3252(3) . . ? H1315 H1316 2.3825(5) . . ? H1322 H1323 2.3811(4) . . ? H1323 H1324 2.3590(4) . . ? H1324 H1325 2.3001(8) . . ? H1325 H1326 2.3707(4) . . ? H1332 H1333 2.3796(7) . . ? H1333 H1334 2.3597(4) . . ? H1334 H1335 2.3968(4) . . ? H1335 H1336 2.3782(8) . . ? H1335 H2316 2.4377(4) . 1_556 ? H2112 H2113 2.4241(5) . . ? H2113 H2114 2.3813(4) . . ? H2114 H2115 2.2920(4) . . ? H2115 H2116 2.3672(5) . . ? H2122 H2123 2.3272(4) . . ? H2123 H2124 2.3204(7) . . ? H2124 H2125 2.3616(5) . . ? H2125 H2126 2.3729(4) . . ? H2132 H2133 2.3678(5) . . ? H2133 H2134 2.3771(5) . . ? H2134 H2135 2.3666(4) . . ? H2135 H2136 2.3321(5) . . ? H2212 H2213 2.3050(4) . . ? H2213 H2214 2.3008(5) . . ? H2213 H2234 2.4763(7) . 2_556 ? H2214 H2215 2.3457(5) . . ? H2215 H2216 2.3830(4) . . ? H2216 H2224 2.2808(5) . 2_566 ? H2222 H2223 2.3675(8) . . ? H2223 H2224 2.3449(4) . . ? H2224 H2225 2.4165(4) . . ? H2225 H2226 2.4000(8) . . ? H2232 H2233 2.3539(3) . . ? H2233 H2234 2.3686(4) . . ? H2234 H2235 2.3596(5) . . ? H2235 H2236 2.3263(3) . . ? H2312 H2313 2.3275(5) . . ? H2313 H2314 2.2932(4) . . ? H2314 H2315 2.3762(4) . . ? H2315 H2316 2.3443(5) . . ? H2322 H2323 2.3765(4) . . ? H2323 H2324 2.3867(4) . . ? H2324 H2325 2.3493(8) . . ? H2325 H2326 2.3762(4) . . ? H2332 H2333 2.4023(7) . . ? H2333 H2334 2.3478(4) . . ? H2334 H2335 2.3854(5) . . ? H2335 H2336 2.3559(7) . . ? 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 C1 Ag1 N1' 1.4(4) . . . ? C1 Ag1 P11 107.2(3) . . . ? C1 Ag1 P12 104.9(3) . . . ? C1 Ag1 P13 105.5(4) . . . ? N1' Ag1 P11 106.7(3) . . . ? N1' Ag1 P12 106.3(3) . . . ? N1' Ag1 P13 104.7(3) . . . ? P11 Ag1 P12 112.68(7) . . . ? P11 Ag1 P13 112.83(7) . . . ? P12 Ag1 P13 112.87(7) . . . ? Ag1 C1 N1 175.6(12) . . . ? Ag1 C1 N1' 99(21) . . . ? Ag1 C1 C1' 174.3(12) . . . ? N1 C1 N1' 78(21) . . . ? N1 C1 C1' 1.3(9) . . . ? N1' C1 C1' 77(21) . . . ? C1 N1 N1' 2.8(9) . . . ? C1 N1 Ag2 179.2(12) . . . ? N1' N1 Ag2 177.8(11) . . . ? Ag1 N1' C1 80(21) . . . ? Ag1 N1' N1 176.8(10) . . . ? Ag1 N1' C1' 175.7(10) . . . ? C1 N1' N1 99(21) . . . ? C1 N1' C1' 100(21) . . . ? N1 N1' C1' 1.3(9) . . . ? C1 C1' N1' 2.7(9) . . . ? C1 C1' Ag2 177.2(11) . . . ? N1' C1' Ag2 177.4(10) . . . ? Ag1 P11 C1111 123.2(3) . . . ? Ag1 P11 C1121 116.3(2) . . . ? Ag1 P11 C1131 106.0(2) . . . ? C1111 P11 C1121 102.4(3) . . . ? C1111 P11 C1131 102.0(3) . . . ? C1121 P11 C1131 104.6(3) . . . ? P11 C1111 C1112 120.1(6) . . . ? P11 C1111 C1116 123.5(6) . . . ? C1112 C1111 C1116 116.1(7) . . . ? C1111 C1112 C1113 122.0(9) . . . ? C1111 C1112 H1112 119.5(8) . . . ? C1113 C1112 H1112 118.4(10) . . . ? C1112 C1113 C1114 119.6(10) . . . ? C1112 C1113 H1113 119.1(10) . . . ? C1114 C1113 H1113 120.8(10) . . . ? C1113 C1114 C1115 120.6(8) . . . ? C1113 C1114 H1114 119.6(10) . . . ? C1115 C1114 H1114 119.8(9) . . . ? C1114 C1115 C1116 119.3(8) . . . ? C1114 C1115 H1115 120.3(8) . . . ? C1116 C1115 H1115 120.4(8) . . . ? C1111 C1116 C1115 122.3(7) . . . ? C1111 C1116 H1116 117.2(7) . . . ? C1115 C1116 H1116 120.5(7) . . . ? P11 C1121 C1122 119.0(5) . . . ? P11 C1121 C1126 123.9(6) . . . ? C1122 C1121 C1126 117.0(7) . . . ? C1121 C1122 C1123 121.9(7) . . . ? C1121 C1122 H1122 118.8(8) . . . ? C1123 C1122 H1122 119.2(8) . . . ? C1122 C1123 C1124 118.0(8) . . . ? C1122 C1123 H1123 119.2(9) . . . ? C1124 C1123 H1123 122.8(10) . . . ? C1123 C1124 C1125 122.2(9) . . . ? C1123 C1124 H1124 121.3(9) . . . ? C1125 C1124 H1124 116.5(8) . . . ? C1124 C1125 C1126 120.0(8) . . . ? C1124 C1125 H1125 122.9(9) . . . ? C1126 C1125 H1125 117.0(8) . . . ? C1121 C1126 C1125 120.9(7) . . . ? C1121 C1126 H1126 119.4(8) . . . ? C1125 C1126 H1126 119.7(7) . . . ? P11 C1131 C1132 119.0(6) . . . ? P11 C1131 C1136 124.6(6) . . . ? C1132 C1131 C1136 116.4(7) . . . ? C1131 C1132 C1133 123.3(8) . . . ? C1131 C1132 H1132 118.1(7) . . . ? C1133 C1132 H1132 118.6(8) . . . ? C1132 C1133 C1134 119.2(8) . . . ? C1132 C1133 H1133 120.7(9) . . . ? C1134 C1133 H1133 120.2(8) . . . ? C1133 C1134 C1135 119.8(7) . . . ? C1133 C1134 H1134 122.4(9) . . . ? C1135 C1134 H1134 117.7(9) . . . ? C1134 C1135 C1136 120.4(8) . . . ? C1134 C1135 H1135 122.5(8) . . . ? C1136 C1135 H1135 117.1(9) . . . ? C1131 C1136 C1135 120.9(8) . . . ? C1131 C1136 H1136 119.6(7) . . . ? C1135 C1136 H1136 119.5(8) . . . ? Ag1 P12 C1211 119.7(2) . . . ? Ag1 P12 C1221 108.3(2) . . . ? Ag1 P12 C1231 116.5(2) . . . ? C1211 P12 C1221 100.0(3) . . . ? C1211 P12 C1231 105.2(4) . . . ? C1221 P12 C1231 104.9(3) . . . ? P12 C1211 C1212 119.5(5) . . . ? P12 C1211 C1216 121.3(5) . . . ? C1212 C1211 C1216 119.0(7) . . . ? C1211 C1212 C1213 119.5(7) . . . ? C1211 C1212 H1212 120.9(8) . . . ? C1213 C1212 H1212 119.6(8) . . . ? C1212 C1213 C1214 121.2(8) . . . ? C1212 C1213 H1213 123.0(8) . . . ? C1214 C1213 H1213 115.7(8) . . . ? C1213 C1214 C1215 120.5(8) . . . ? C1213 C1214 H1214 121.5(8) . . . ? C1215 C1214 H1214 118.0(8) . . . ? C1214 C1215 C1216 119.1(7) . . . ? C1214 C1215 H1215 122.5(8) . . . ? C1216 C1215 H1215 118.5(8) . . . ? C1211 C1216 C1215 120.7(7) . . . ? C1211 C1216 H1216 120.0(7) . . . ? C1215 C1216 H1216 119.2(7) . . . ? P12 C1221 C1222 115.8(5) . . . ? P12 C1221 C1226 125.6(6) . . . ? C1222 C1221 C1226 118.6(7) . . . ? C1221 C1222 C1223 122.2(8) . . . ? C1221 C1222 H1222 117.8(7) . . . ? C1223 C1222 H1222 119.9(9) . . . ? C1222 C1223 C1224 119.0(10) . . . ? C1222 C1223 H1223 117.2(9) . . . ? C1224 C1223 H1223 123.8(8) . . . ? C1223 C1224 C1225 121.0(8) . . . ? C1223 C1224 H1224 119.2(11) . . . ? C1225 C1224 H1224 119.8(10) . . . ? C1224 C1225 C1226 118.6(8) . . . ? C1224 C1225 H1225 121.1(8) . . . ? C1226 C1225 H1225 120.2(9) . . . ? C1221 C1226 C1225 120.6(8) . . . ? C1221 C1226 H1226 118.2(8) . . . ? C1225 C1226 H1226 121.2(8) . . . ? P12 C1231 C1232 118.1(6) . . . ? P12 C1231 C1236 125.6(6) . . . ? C1232 C1231 C1236 116.3(8) . . . ? C1231 C1232 C1233 120.9(8) . . . ? C1231 C1232 H1232 119.4(9) . . . ? C1233 C1232 H1232 119.7(8) . . . ? C1232 C1233 C1234 120.2(8) . . . ? C1232 C1233 H1233 118.7(9) . . . ? C1234 C1233 H1233 121.1(10) . . . ? C1233 C1234 C1235 120.2(10) . . . ? C1233 C1234 H1234 116.7(10) . . . ? C1235 C1234 H1234 123.0(9) . . . ? C1234 C1235 C1236 118.8(9) . . . ? C1234 C1235 H1235 119.4(10) . . . ? C1236 C1235 H1235 121.7(9) . . . ? C1231 C1236 C1235 123.5(8) . . . ? C1231 C1236 H1236 117.0(8) . . . ? C1235 C1236 H1236 119.5(8) . . . ? Ag1 P13 C1311 107.3(2) . . . ? Ag1 P13 C1321 114.0(3) . . . ? Ag1 P13 C1331 123.5(2) . . . ? C1311 P13 C1321 105.1(3) . . . ? C1311 P13 C1331 101.8(3) . . . ? C1321 P13 C1331 103.2(4) . . . ? P13 C1311 C1312 116.1(5) . . . ? P13 C1311 C1316 124.4(6) . . . ? C1312 C1311 C1316 119.4(7) . . . ? C1311 C1312 C1313 119.8(8) . . . ? C1311 C1312 H1312 119.4(7) . . . ? C1313 C1312 H1312 120.8(9) . . . ? C1312 C1313 C1314 120.2(9) . . . ? C1312 C1313 H1313 116.5(9) . . . ? C1314 C1313 H1313 123.3(8) . . . ? C1313 C1314 C1315 118.8(7) . . . ? C1313 C1314 H1314 116.8(9) . . . ? C1315 C1314 H1314 124.3(9) . . . ? C1314 C1315 C1316 122.2(8) . . . ? C1314 C1315 H1315 116.6(8) . . . ? C1316 C1315 H1315 121.2(9) . . . ? C1311 C1316 C1315 119.6(8) . . . ? C1311 C1316 H1316 119.2(7) . . . ? C1315 C1316 H1316 121.2(7) . . . ? P13 C1321 C1322 118.0(6) . . . ? P13 C1321 C1326 124.5(6) . . . ? C1322 C1321 C1326 117.5(8) . . . ? C1321 C1322 C1323 120.6(7) . . . ? C1321 C1322 H1322 119.1(9) . . . ? C1323 C1322 H1322 120.3(8) . . . ? C1322 C1323 C1324 120.9(8) . . . ? C1322 C1323 H1323 121.6(8) . . . ? C1324 C1323 H1323 117.5(9) . . . ? C1323 C1324 C1325 119.7(9) . . . ? C1323 C1324 H1324 122.6(10) . . . ? C1325 C1324 H1324 117.6(8) . . . ? C1324 C1325 C1326 119.8(8) . . . ? C1324 C1325 H1325 119.5(9) . . . ? C1326 C1325 H1325 120.6(9) . . . ? C1321 C1326 C1325 121.5(8) . . . ? C1321 C1326 H1326 119.6(8) . . . ? C1325 C1326 H1326 118.9(8) . . . ? P13 C1331 C1332 118.4(6) . . . ? P13 C1331 C1336 122.7(5) . . . ? C1332 C1331 C1336 118.9(7) . . . ? C1331 C1332 C1333 119.3(8) . . . ? C1331 C1332 H1332 118.3(8) . . . ? C1333 C1332 H1332 122.3(9) . . . ? C1332 C1333 C1334 122.0(9) . . . ? C1332 C1333 H1333 117.8(10) . . . ? C1334 C1333 H1333 120.2(9) . . . ? C1333 C1334 C1335 119.3(8) . . . ? C1333 C1334 H1334 121.1(9) . . . ? C1335 C1334 H1334 119.6(9) . . . ? C1334 C1335 C1336 120.0(7) . . . ? C1334 C1335 H1335 122.5(8) . . . ? C1336 C1335 H1335 117.5(7) . . . ? C1331 C1336 C1335 120.3(7) . . . ? C1331 C1336 H1336 116.9(7) . . . ? C1335 C1336 H1336 122.7(8) . . . ? N1 Ag2 C1' .7(4) . . . ? N1 Ag2 P21 108.1(3) . . . ? N1 Ag2 P22 106.1(3) . . . ? N1 Ag2 P23 104.1(3) . . . ? C1' Ag2 P21 107.6(3) . . . ? C1' Ag2 P22 106.0(3) . . . ? C1' Ag2 P23 104.7(3) . . . ? P21 Ag2 P22 112.94(7) . . . ? P21 Ag2 P23 112.28(7) . . . ? P22 Ag2 P23 112.60(7) . . . ? Ag2 P21 C2111 122.0(3) . . . ? Ag2 P21 C2121 113.9(2) . . . ? Ag2 P21 C2131 109.5(2) . . . ? C2111 P21 C2121 103.0(3) . . . ? C2111 P21 C2131 102.5(3) . . . ? C2121 P21 C2131 104.1(3) . . . ? P21 C2111 C2112 118.5(6) . . . ? P21 C2111 C2116 124.6(6) . . . ? C2112 C2111 C2116 117.0(7) . . . ? C2111 C2112 C2113 122.8(8) . . . ? C2111 C2112 H2112 119.2(7) . . . ? C2113 C2112 H2112 117.8(8) . . . ? C2112 C2113 C2114 117.5(9) . . . ? C2112 C2113 H2113 123.8(9) . . . ? C2114 C2113 H2113 118.7(8) . . . ? C2113 C2114 C2115 120.9(8) . . . ? C2113 C2114 H2114 122.2(9) . . . ? C2115 C2114 H2114 116.9(9) . . . ? C2114 C2115 C2116 120.7(8) . . . ? C2114 C2115 H2115 120.6(8) . . . ? C2116 C2115 H2115 118.8(9) . . . ? C2111 C2116 C2115 121.0(8) . . . ? C2111 C2116 H2116 119.7(7) . . . ? C2115 C2116 H2116 119.2(8) . . . ? P21 C2121 C2122 119.4(6) . . . ? P21 C2121 C2126 122.0(6) . . . ? C2122 C2121 C2126 118.6(8) . . . ? C2121 C2122 C2123 122.4(7) . . . ? C2121 C2122 H2122 120.9(9) . . . ? C2123 C2122 H2122 116.8(7) . . . ? C2122 C2123 C2124 119.5(7) . . . ? C2122 C2123 H2123 121.1(8) . . . ? C2124 C2123 H2123 119.4(9) . . . ? C2123 C2124 C2125 119.7(9) . . . ? C2123 C2124 H2124 119.3(8) . . . ? C2125 C2124 H2124 120.9(8) . . . ? C2124 C2125 C2126 120.7(8) . . . ? C2124 C2125 H2125 119.1(10) . . . ? C2126 C2125 H2125 120.2(8) . . . ? C2121 C2126 C2125 119.1(7) . . . ? C2121 C2126 H2126 121.8(9) . . . ? C2125 C2126 H2126 119.1(8) . . . ? P21 C2131 C2132 117.1(6) . . . ? P21 C2131 C2136 124.2(6) . . . ? C2132 C2131 C2136 118.6(7) . . . ? C2131 C2132 C2133 120.1(8) . . . ? C2131 C2132 H2132 117.7(8) . . . ? C2133 C2132 H2132 122.2(9) . . . ? C2132 C2133 C2134 121.5(10) . . . ? C2132 C2133 H2133 119.2(10) . . . ? C2134 C2133 H2133 119.2(9) . . . ? C2133 C2134 C2135 117.8(8) . . . ? C2133 C2134 H2134 121.4(9) . . . ? C2135 C2134 H2134 120.8(9) . . . ? C2134 C2135 C2136 121.2(8) . . . ? C2134 C2135 H2135 119.1(8) . . . ? C2136 C2135 H2135 119.6(8) . . . ? C2131 C2136 C2135 120.8(8) . . . ? C2131 C2136 H2136 120.4(7) . . . ? C2135 C2136 H2136 118.9(8) . . . ? Ag2 P22 C2211 122.1(2) . . . ? Ag2 P22 C2221 109.1(2) . . . ? Ag2 P22 C2231 115.0(2) . . . ? C2211 P22 C2221 101.4(3) . . . ? C2211 P22 C2231 103.5(4) . . . ? C2221 P22 C2231 103.6(3) . . . ? P22 C2211 C2212 120.5(6) . . . ? P22 C2211 C2216 121.8(6) . . . ? C2212 C2211 C2216 117.7(7) . . . ? C2211 C2212 C2213 120.7(7) . . . ? C2211 C2212 H2212 122.8(8) . . . ? C2213 C2212 H2212 116.5(8) . . . ? C2212 C2213 C2214 121.7(8) . . . ? C2212 C2213 H2213 121.4(9) . . . ? C2214 C2213 H2213 116.9(9) . . . ? C2213 C2214 C2215 118.7(8) . . . ? C2213 C2214 H2214 121.1(9) . . . ? C2215 C2214 H2214 120.2(8) . . . ? C2214 C2215 C2216 120.6(8) . . . ? C2214 C2215 H2215 118.6(8) . . . ? C2216 C2215 H2215 120.8(8) . . . ? C2211 C2216 C2215 120.6(7) . . . ? C2211 C2216 H2216 119.7(7) . . . ? C2215 C2216 H2216 119.7(7) . . . ? P22 C2221 C2222 116.9(5) . . . ? P22 C2221 C2226 124.8(6) . . . ? C2222 C2221 C2226 118.2(7) . . . ? C2221 C2222 C2223 121.0(8) . . . ? C2221 C2222 H2222 118.3(7) . . . ? C2223 C2222 H2222 120.8(9) . . . ? C2222 C2223 C2224 120.4(10) . . . ? C2222 C2223 H2223 119.5(9) . . . ? C2224 C2223 H2223 119.8(9) . . . ? C2223 C2224 C2225 120.3(8) . . . ? C2223 C2224 H2224 118.7(10) . . . ? C2225 C2224 H2224 120.5(9) . . . ? C2224 C2225 C2226 118.1(8) . . . ? C2224 C2225 H2225 122.7(8) . . . ? C2226 C2225 H2225 119.1(9) . . . ? C2221 C2226 C2225 121.9(8) . . . ? C2221 C2226 H2226 117.5(7) . . . ? C2225 C2226 H2226 120.6(8) . . . ? P22 C2231 C2232 116.9(6) . . . ? P22 C2231 C2236 125.6(6) . . . ? C2232 C2231 C2236 117.5(8) . . . ? C2231 C2232 C2233 122.0(7) . . . ? C2231 C2232 H2232 119.4(8) . . . ? C2233 C2232 H2232 118.6(8) . . . ? C2232 C2233 C2234 118.3(8) . . . ? C2232 C2233 H2233 118.9(8) . . . ? C2234 C2233 H2233 122.7(9) . . . ? C2233 C2234 C2235 119.8(9) . . . ? C2233 C2234 H2234 118.0(9) . . . ? C2235 C2234 H2234 122.2(9) . . . ? C2234 C2235 C2236 121.5(8) . . . ? C2234 C2235 H2235 119.3(9) . . . ? C2236 C2235 H2235 119.2(8) . . . ? C2231 C2236 C2235 120.9(7) . . . ? C2231 C2236 H2236 119.3(8) . . . ? C2235 C2236 H2236 119.8(8) . . . ? Ag2 P23 C2311 109.1(2) . . . ? Ag2 P23 C2321 115.2(2) . . . ? Ag2 P23 C2331 120.5(2) . . . ? C2311 P23 C2321 104.3(3) . . . ? C2311 P23 C2331 103.3(3) . . . ? C2321 P23 C2331 102.7(3) . . . ? P23 C2311 C2312 117.8(5) . . . ? P23 C2311 C2316 124.5(6) . . . ? C2312 C2311 C2316 117.6(7) . . . ? C2311 C2312 C2313 121.7(7) . . . ? C2311 C2312 H2312 120.5(7) . . . ? C2313 C2312 H2312 117.7(8) . . . ? C2312 C2313 C2314 120.2(8) . . . ? C2312 C2313 H2313 121.5(8) . . . ? C2314 C2313 H2313 118.2(8) . . . ? C2313 C2314 C2315 120.0(8) . . . ? C2313 C2314 H2314 118.5(9) . . . ? C2315 C2314 H2314 121.3(9) . . . ? C2314 C2315 C2316 119.7(8) . . . ? C2314 C2315 H2315 121.1(8) . . . ? C2316 C2315 H2315 119.1(9) . . . ? C2311 C2316 C2315 120.7(8) . . . ? C2311 C2316 H2316 119.9(7) . . . ? C2315 C2316 H2316 119.3(7) . . . ? P23 C2321 C2322 118.9(6) . . . ? P23 C2321 C2326 124.1(6) . . . ? C2322 C2321 C2326 117.0(8) . . . ? C2321 C2322 C2323 121.8(8) . . . ? C2321 C2322 H2322 119.0(9) . . . ? C2323 C2322 H2322 119.3(8) . . . ? C2322 C2323 C2324 119.7(9) . . . ? C2322 C2323 H2323 119.4(9) . . . ? C2324 C2323 H2323 120.9(10) . . . ? C2323 C2324 C2325 120.7(10) . . . ? C2323 C2324 H2324 121.7(10) . . . ? C2325 C2324 H2324 117.6(9) . . . ? C2324 C2325 C2326 119.2(8) . . . ? C2324 C2325 H2325 122.4(10) . . . ? C2326 C2325 H2325 118.4(10) . . . ? C2321 C2326 C2325 121.7(8) . . . ? C2321 C2326 H2326 118.0(9) . . . ? C2325 C2326 H2326 120.4(8) . . . ? P23 C2331 C2332 119.0(6) . . . ? P23 C2331 C2336 122.3(5) . . . ? C2332 C2331 C2336 118.6(7) . . . ? C2331 C2332 C2333 120.3(7) . . . ? C2331 C2332 H2332 119.2(7) . . . ? C2333 C2332 H2332 120.5(7) . . . ? C2332 C2333 C2334 120.3(7) . . . ? C2332 C2333 H2333 120.1(8) . . . ? C2334 C2333 H2333 119.6(8) . . . ? C2333 C2334 C2335 120.2(7) . . . ? C2333 C2334 H2334 119.9(8) . . . ? C2335 C2334 H2334 119.9(8) . . . ? C2334 C2335 C2336 120.1(8) . . . ? C2334 C2335 H2335 122.8(8) . . . ? C2336 C2335 H2335 117.0(7) . . . ? C2331 C2336 C2335 120.4(7) . . . ? C2331 C2336 H2336 118.7(7) . . . ? C2335 C2336 H2336 120.9(8) . . . ? C3 Ag3 C3 180.0000 . . 2_557 ? Ag3 C3 N3 175.5(13) . . . ? C41 Ag4 C42 172.5(9) . . . ? C41 Ag4 Ag4 176.5(6) . . 2_665 ? C41 Ag4 C42 17(2) . . 2_665 ? C41 Ag4 N42 10.4(8) . . 2_665 ? C42 Ag4 Ag4 4.3(6) . . 2_665 ? C42 Ag4 C42 170(2) . . 2_665 ? C42 Ag4 N42 176.8(8) . . 2_665 ? Ag4 Ag4 C42 166(2) 2_665 . 2_665 ? Ag4 Ag4 N42 173.0(6) 2_665 . 2_665 ? C42 Ag4 N42 8(2) 2_665 . 2_665 ? Ag4 C41 N41 174.6(17) . . . ? Ag4 C41 C42 6.4(8) . . 2_665 ? Ag4 C41 N42 42(3) . . 2_665 ? N41 C41 C42 179(2) . . 2_665 ? N41 C41 N42 144(4) . . 2_665 ? C42 C41 N42 36(3) 2_665 . 2_665 ? C41 N41 N42 9.3(11) . . 2_665 ? Ag4 C42 N42 177(2) . . . ? Ag4 C42 Ag4 9.8(15) . . 2_665 ? Ag4 C42 C41 166.1(16) . . 2_665 ? N42 C42 Ag4 169(3) . . 2_665 ? N42 C42 C41 13.6(12) . . 2_665 ? Ag4 C42 C41 156(3) 2_665 . 2_665 ? C42 N42 Ag4 3.8(11) . . 2_665 ? C42 N42 C41 131(4) . . 2_665 ? C42 N42 N41 157.8(17) . . 2_665 ? Ag4 N42 C41 128(3) 2_665 . 2_665 ? Ag4 N42 N41 154.8(12) 2_665 . 2_665 ? C41 N42 N41 27(3) 2_665 . 2_665 ? C12 N11 C16 120.0(11) . . . ? N11 C12 C121 120.1(12) . . . ? N11 C12 C13 120.0(11) . . . ? C121 C12 C13 120.0(11) . . . ? C12 C121 H121a 107(2) . . . ? C12 C121 H121b 107(2) . . . ? C12 C121 H121c 120(3) . . . ? H121a C121 H121b 109(3) . . . ? H121a C121 H121c 107(3) . . . ? H121b C121 H121c 107(2) . . . ? C12 C13 C14 119.9(10) . . . ? C12 C13 H13 120.0(17) . . . ? C14 C13 H13 120.0(17) . . . ? C13 C14 C15 120.1(12) . . . ? C13 C14 H14 120(2) . . . ? C15 C14 H14 120(2) . . . ? C14 C15 C16 119.9(14) . . . ? C14 C15 H15 120(2) . . . ? C16 C15 H15 120(2) . . . ? N11 C16 C15 120.1(11) . . . ? N11 C16 H16 120(2) . . . ? C15 C16 H16 120(2) . . . ? C221 C22 C24 120(2) . . 2_657 ? C221 C22 C26 120(2) . . 2_657 ? C24 C22 C26 119.6(13) 2_657 . 2_657 ? C22 C221 H221a 107(2) . . . ? C22 C221 H221b 107(4) . . . ? C22 C221 H221c 120(4) . . . ? H221a C221 H221b 109(5) . . . ? H221a C221 H221c 107(6) . . . ? H221b C221 H221c 107(4) . . . ? H24 C24 C22 119(3) . . 2_657 ? H24 C24 C26 119(3) . . 2_657 ? C22 C24 C26 121.7(13) 2_657 . 2_657 ? H26 C26 C22 121(3) . . 2_657 ? H26 C26 C24 121(3) . . 2_657 ? C22 C26 C24 118.7(17) 2_657 . 2_657 ? C321 C32 C34 121(2) . . 2_567 ? C321 C32 C36 121(2) . . 2_567 ? C34 C32 C36 118.4(13) 2_567 . 2_567 ? C32 C321 H321a 107(4) . . . ? C32 C321 H321b 107(4) . . . ? C32 C321 H321c 121(4) . . . ? H321a C321 H321b 109(6) . . . ? H321a C321 H321c 107(6) . . . ? H321b C321 H321c 107(5) . . . ? H34 C34 C32 119(3) . . 2_567 ? H34 C34 C36 119(4) . . 2_567 ? C32 C34 C36 121.3(18) 2_567 . 2_567 ? H36 C36 C32 120(3) . . 2_567 ? H36 C36 C34 120(3) . . 2_567 ? C32 C36 C34 120.3(17) 2_567 . 2_567 ? 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 ? _reflns_limit_h_max ? _reflns_limit_k_min ? _reflns_limit_k_max ? _reflns_limit_l_min ? _reflns_limit_l_max ? _reflns_number_total ? #ActaC _reflns_number_observed ? #ActaC _reflns_observed_criterion refl_observed_if_F____>_***__sigma(F___) _reflns_d_resolution_high ? _reflns_d_resolution_low ? loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 4.6843 #=END data_jr4 _audit_creation_method SHELXL-97 _chemical_name_systematic ; \m-Cyanobis((triphenylphosphine)silver(I)) dicyanoargentate acetonitrile solvate ; _chemical_name_common AgCN:PPh3:CH3CN(1:2:2/3) _chemical_formula_moiety 'C57.50 H48 Ag1.50 N2.50 P3' _chemical_formula_sum 'C115 H96 Ag3 N5 P6' _chemical_formula_weight 1028.70 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ag' 'Ag' -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 13.635(3) _cell_length_b 13.934(3) _cell_length_c 16.747(3) _cell_angle_alpha 98.92(3) _cell_angle_beta 110.04(3) _cell_angle_gamma 112.95(3) _cell_volume 2594.7(9) _cell_formula_units_Z 2 _cell_measurement_temperature 203(2) _cell_measurement_reflns_used 5208 _cell_measurement_theta_min 1.5 _cell_measurement_theta_max 28 _exptl_crystal_description Prism _exptl_crystal_colour Colourless _exptl_crystal_size_max 0.55 _exptl_crystal_size_mid 0.46 _exptl_crystal_size_min 0.38 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.317 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1052 _exptl_absorpt_coefficient_mu 0.702 _exptl_absorpt_correction_type 'Multi-scan' _exptl_absorpt_correction_T_min 0.6987 _exptl_absorpt_correction_T_max 0.7762 _exptl_special_details ; ? ; _diffrn_ambient_temperature 203(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Siemens SMART' _diffrn_measurement_method 'Area detector' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% 0 _diffrn_reflns_number 26044 _diffrn_reflns_av_R_equivalents 0.0135 _diffrn_reflns_av_sigmaI/netI 0.0190 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 1.37 _diffrn_reflns_theta_max 28.27 _reflns_number_total 11515 _reflns_number_gt 10417 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Siemens SMART' _computing_cell_refinement 'Siemens SAINT' _computing_data_reduction 'Siemens SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'SHELXTL' _computing_publication_material 'SHELXL-97' _refine_special_details ; ? ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme 'calc w=1/[\s^2^(Fo^2^)+(0.0835P)^2^+2.2697P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 11515 _refine_ls_number_parameters 584 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0418 _refine_ls_R_factor_gt 0.0374 _refine_ls_wR_factor_ref 0.1342 _refine_ls_wR_factor_gt 0.1300 _refine_ls_goodness_of_fit_ref 1.103 _refine_ls_restrained_S_all 1.103 _refine_ls_shift/su_max 0.215 _refine_ls_shift/su_mean 0.003 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ag1 Ag 0.537032(17) -0.406003(16) 0.866535(13) 0.02886(8) Uani 1 d . . . P1 P 0.35980(6) -0.53016(6) 0.71385(4) 0.02856(14) Uani 1 d . . . P2 P 0.73306(6) -0.37886(6) 0.86434(4) 0.02716(14) Uani 1 d . . . N2 N 0.5088(2) -0.4830(2) 0.97263(18) 0.0318(5) Uani 0.50 d P . 1 C2 C 0.5088(2) -0.4830(2) 0.97263(18) 0.0318(5) Uani 0.50 d P . 2 P3 P 0.54495(6) -0.21846(5) 0.92377(4) 0.02597(14) Uani 1 d . . . C11 C 0.2104(2) -0.5697(2) 0.70311(18) 0.0319(5) Uani 1 d . . . C12 C 0.1115(3) -0.6620(3) 0.6332(2) 0.0419(7) Uani 1 d . . . H12A H 0.1213 -0.7066 0.5916 0.050 Uiso 1 calc R . . C13 C -0.0022(3) -0.6884(3) 0.6249(3) 0.0502(8) Uani 1 d . . . H13A H -0.0687 -0.7511 0.5780 0.060 Uiso 1 calc R . . C14 C -0.0176(3) -0.6234(3) 0.6850(3) 0.0491(8) Uani 1 d . . . H14A H -0.0944 -0.6408 0.6787 0.059 Uiso 1 calc R . . C15 C 0.0804(3) -0.5321(3) 0.7546(3) 0.0546(9) Uani 1 d . . . H15A H 0.0701 -0.4874 0.7958 0.065 Uiso 1 calc R . . C16 C 0.1940(3) -0.5059(3) 0.7641(2) 0.0443(7) Uani 1 d . . . H16A H 0.2602 -0.4443 0.8123 0.053 Uiso 1 calc R . . C21 C 0.3526(2) -0.6643(2) 0.67830(19) 0.0320(5) Uani 1 d . . . C22 C 0.3726(3) -0.7154(3) 0.7433(2) 0.0440(7) Uani 1 d . . . H22A H 0.3896 -0.6801 0.8026 0.053 Uiso 1 calc R . . C23 C 0.3673(4) -0.8182(3) 0.7207(3) 0.0547(9) Uani 1 d . . . H23A H 0.3812 -0.8519 0.7648 0.066 Uiso 1 calc R . . C24 C 0.3417(4) -0.8711(3) 0.6337(3) 0.0547(9) Uani 1 d . . . H24A H 0.3371 -0.9410 0.6185 0.066 Uiso 1 calc R . . C25 C 0.3230(4) -0.8215(3) 0.5691(3) 0.0533(9) Uani 1 d . . . H25A H 0.3063 -0.8572 0.5100 0.064 Uiso 1 calc R . . C26 C 0.3288(3) -0.7175(3) 0.5915(2) 0.0423(7) Uani 1 d . . . H26A H 0.3165 -0.6836 0.5473 0.051 Uiso 1 calc R . . C31 C 0.3613(3) -0.4797(2) 0.61961(18) 0.0341(6) Uani 1 d . . . C32 C 0.4666(3) -0.4384(3) 0.6112(2) 0.0477(8) Uani 1 d . . . H32A H 0.5325 -0.4412 0.6514 0.057 Uiso 1 calc R . . C33 C 0.4757(4) -0.3932(4) 0.5444(3) 0.0632(11) Uani 1 d . . . H33A H 0.5475 -0.3652 0.5395 0.076 Uiso 1 calc R . . C34 C 0.3787(5) -0.3892(4) 0.4847(3) 0.0686(13) Uani 1 d . . . H34A H 0.3846 -0.3584 0.4393 0.082 Uiso 1 calc R . . C35 C 0.2747(5) -0.4302(5) 0.4918(3) 0.0777(14) Uani 1 d . . . H35A H 0.2089 -0.4279 0.4509 0.093 Uiso 1 calc R . . C36 C 0.2646(4) -0.4755(4) 0.5594(3) 0.0564(9) Uani 1 d . . . H36A H 0.1927 -0.5029 0.5640 0.068 Uiso 1 calc R . . C41 C 0.7680(2) -0.3050(2) 0.78825(19) 0.0346(6) Uani 1 d . . . C42 C 0.8079(3) -0.3379(3) 0.7283(2) 0.0482(8) Uani 1 d . . . H42A H 0.8228 -0.3984 0.7276 0.058 Uiso 1 calc R . . C43 C 0.8255(4) -0.2795(4) 0.6692(3) 0.0636(12) Uani 1 d . . . H43A H 0.8521 -0.3016 0.6284 0.076 Uiso 1 calc R . . C44 C 0.8048(4) -0.1917(4) 0.6694(3) 0.0679(14) Uani 1 d . . . H44A H 0.8174 -0.1537 0.6292 0.081 Uiso 1 calc R . . C45 C 0.7655(4) -0.1579(3) 0.7286(3) 0.0616(11) Uani 1 d . . . H45A H 0.7515 -0.0970 0.7290 0.074 Uiso 1 calc R . . C46 C 0.7469(3) -0.2152(3) 0.7876(2) 0.0483(8) Uani 1 d . . . H46A H 0.7195 -0.1928 0.8276 0.058 Uiso 1 calc R . . C51 C 0.8588(3) -0.2928(2) 0.97381(19) 0.0337(6) Uani 1 d . . . C52 C 0.9676(3) -0.2092(3) 0.9861(2) 0.0432(7) Uani 1 d . . . H52A H 0.9785 -0.1948 0.9359 0.052 Uiso 1 calc R . . C53 C 1.0589(3) -0.1479(3) 1.0721(3) 0.0566(10) Uani 1 d . . . H53A H 1.1318 -0.0923 1.0800 0.068 Uiso 1 calc R . . C54 C 1.0439(4) -0.1678(3) 1.1464(3) 0.0592(11) Uani 1 d . . . H54A H 1.1062 -0.1251 1.2045 0.071 Uiso 1 calc R . . C55 C 0.9382(4) -0.2496(3) 1.1358(2) 0.0552(10) Uani 1 d . . . H55A H 0.9289 -0.2632 1.1866 0.066 Uiso 1 calc R . . C56 C 0.8455(3) -0.3120(3) 1.0506(2) 0.0423(7) Uani 1 d . . . H56A H 0.7733 -0.3674 1.0439 0.051 Uiso 1 calc R . . C61 C 0.7566(2) -0.4979(2) 0.83482(18) 0.0300(5) Uani 1 d . . . C62 C 0.8638(3) -0.4977(3) 0.8810(2) 0.0384(6) Uani 1 d . . . H62A H 0.9280 -0.4344 0.9287 0.046 Uiso 1 calc R . . C63 C 0.8751(3) -0.5917(3) 0.8560(2) 0.0444(7) Uani 1 d . . . H63A H 0.9471 -0.5915 0.8874 0.053 Uiso 1 calc R . . C64 C 0.7820(3) -0.6850(3) 0.7857(2) 0.0444(7) Uani 1 d . . . H64A H 0.7902 -0.7481 0.7695 0.053 Uiso 1 calc R . . C65 C 0.6765(3) -0.6850(3) 0.7392(2) 0.0438(7) Uani 1 d . . . H65A H 0.6132 -0.7481 0.6907 0.053 Uiso 1 calc R . . C66 C 0.6631(3) -0.5921(3) 0.7638(2) 0.0372(6) Uani 1 d . . . H66A H 0.5906 -0.5932 0.7323 0.045 Uiso 1 calc R . . C71 C 0.4167(2) -0.2430(2) 0.94593(18) 0.0282(5) Uani 1 d . . . C72 C 0.4002(3) -0.3021(2) 1.0045(2) 0.0345(6) Uani 1 d . . . H72A H 0.4555 -0.3253 1.0320 0.041 Uiso 1 calc R . . C73 C 0.3025(3) -0.3271(3) 1.0223(2) 0.0425(7) Uani 1 d . . . H73A H 0.2921 -0.3665 1.0620 0.051 Uiso 1 calc R . . C74 C 0.2201(3) -0.2937(3) 0.9814(2) 0.0453(7) Uani 1 d . . . H74A H 0.1540 -0.3106 0.9935 0.054 Uiso 1 calc R . . C75 C 0.2352(3) -0.2355(3) 0.9226(3) 0.0472(8) Uani 1 d . . . H75A H 0.1791 -0.2134 0.8946 0.057 Uiso 1 calc R . . C76 C 0.3335(3) -0.2100(3) 0.9052(2) 0.0372(6) Uani 1 d . . . H76A H 0.3438 -0.1701 0.8656 0.045 Uiso 1 calc R . . C81 C 0.5386(3) -0.1365(2) 0.84878(18) 0.0303(5) Uani 1 d . . . C82 C 0.5831(3) -0.0230(2) 0.8790(2) 0.0385(6) Uani 1 d . . . H82A H 0.6181 0.0149 0.9412 0.046 Uiso 1 calc R . . C83 C 0.5773(4) 0.0359(3) 0.8196(3) 0.0472(8) Uani 1 d . . . H83A H 0.6079 0.1128 0.8416 0.057 Uiso 1 calc R . . C84 C 0.5270(4) -0.0181(3) 0.7289(3) 0.0567(10) Uani 1 d . . . H84A H 0.5230 0.0217 0.6885 0.068 Uiso 1 calc R . . C85 C 0.4827(6) -0.1300(4) 0.6970(3) 0.0826(17) Uani 1 d . . . H85A H 0.4485 -0.1669 0.6347 0.099 Uiso 1 calc R . . C86 C 0.4880(5) -0.1895(3) 0.7564(2) 0.0646(12) Uani 1 d . . . H86A H 0.4569 -0.2665 0.7337 0.077 Uiso 1 calc R . . C91 C 0.6700(2) -0.1142(2) 1.02952(18) 0.0296(5) Uani 1 d . . . C92 C 0.6552(3) -0.0607(2) 1.09856(19) 0.0360(6) Uani 1 d . . . H92A H 0.5783 -0.0799 1.0928 0.043 Uiso 1 calc R . . C93 C 0.7536(3) 0.0209(3) 1.1759(2) 0.0477(8) Uani 1 d . . . H93A H 0.7431 0.0562 1.2225 0.057 Uiso 1 calc R . . C94 C 0.8673(3) 0.0502(3) 1.1846(2) 0.0500(9) Uani 1 d . . . H94A H 0.9337 0.1059 1.2366 0.060 Uiso 1 calc R . . C95 C 0.8830(3) -0.0022(3) 1.1170(3) 0.0491(8) Uani 1 d . . . H95A H 0.9601 0.0176 1.1231 0.059 Uiso 1 calc R . . C96 C 0.7850(3) -0.0845(3) 1.0397(2) 0.0400(6) Uani 1 d . . . H96A H 0.7963 -0.1204 0.9940 0.048 Uiso 1 calc R . . N1 N 0.2329(3) -0.0598(4) 0.3778(3) 0.0698(10) Uani 1 d . . . C1 C 0.3271(4) -0.0417(4) 0.4216(3) 0.0547(9) Uani 1 d . . . Ag2 Ag 0.5000 0.0000 0.5000 0.05198(11) Uani 1 d S . . C3 C 0.9712(4) 0.0368(3) 1.3999(3) 0.0552(9) Uani 1 d . . . N3 N 0.9783(5) 0.1173(4) 1.4332(3) 0.0877(13) Uani 1 d . . . C4 C 0.9631(4) -0.0649(4) 1.3565(3) 0.0667(11) Uani 1 d . . . H4A H 0.9074 -0.1254 1.3661 0.080 Uiso 1 calc R . . H4B H 1.0407 -0.0609 1.3816 0.080 Uiso 1 calc R . . H4C H 0.9358 -0.0772 1.2923 0.080 Uiso 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ag1 0.02952(12) 0.02847(12) 0.02693(11) 0.00823(8) 0.01226(8) 0.01292(9) P1 0.0293(3) 0.0270(3) 0.0222(3) 0.0073(2) 0.0087(2) 0.0096(3) P2 0.0276(3) 0.0305(3) 0.0263(3) 0.0122(3) 0.0134(3) 0.0143(3) N2 0.0396(13) 0.0327(12) 0.0324(12) 0.0167(10) 0.0195(11) 0.0207(11) C2 0.0396(13) 0.0327(12) 0.0324(12) 0.0167(10) 0.0195(11) 0.0207(11) P3 0.0310(3) 0.0235(3) 0.0251(3) 0.0091(2) 0.0127(3) 0.0139(3) C11 0.0322(13) 0.0294(13) 0.0290(13) 0.0101(10) 0.0122(11) 0.0110(11) C12 0.0345(15) 0.0363(15) 0.0404(16) 0.0028(12) 0.0118(13) 0.0114(12) C13 0.0337(16) 0.0461(18) 0.0503(19) 0.0095(15) 0.0105(14) 0.0096(14) C14 0.0384(16) 0.057(2) 0.057(2) 0.0264(17) 0.0246(15) 0.0215(15) C15 0.053(2) 0.058(2) 0.057(2) 0.0112(17) 0.0326(18) 0.0251(17) C16 0.0402(16) 0.0397(16) 0.0393(16) 0.0042(13) 0.0169(13) 0.0107(13) C21 0.0284(12) 0.0284(13) 0.0302(13) 0.0086(10) 0.0083(10) 0.0098(10) C22 0.0527(18) 0.0400(16) 0.0396(16) 0.0194(13) 0.0210(14) 0.0196(14) C23 0.065(2) 0.0451(19) 0.062(2) 0.0313(17) 0.0293(19) 0.0281(18) C24 0.055(2) 0.0362(17) 0.068(2) 0.0153(16) 0.0205(18) 0.0242(16) C25 0.062(2) 0.0466(19) 0.0437(18) 0.0037(15) 0.0110(16) 0.0335(18) C26 0.0516(18) 0.0433(17) 0.0307(14) 0.0102(12) 0.0117(13) 0.0279(15) C31 0.0437(15) 0.0271(13) 0.0232(12) 0.0064(10) 0.0117(11) 0.0127(11) C32 0.0474(18) 0.0520(19) 0.0351(16) 0.0159(14) 0.0197(14) 0.0142(15) C33 0.075(3) 0.059(2) 0.045(2) 0.0199(17) 0.036(2) 0.012(2) C34 0.106(4) 0.061(2) 0.042(2) 0.0304(18) 0.038(2) 0.033(2) C35 0.096(4) 0.104(4) 0.056(2) 0.055(3) 0.032(2) 0.060(3) C36 0.056(2) 0.076(3) 0.0464(19) 0.0362(19) 0.0212(17) 0.036(2) C41 0.0300(13) 0.0360(14) 0.0289(13) 0.0136(11) 0.0118(11) 0.0077(11) C42 0.0467(18) 0.060(2) 0.0399(17) 0.0218(15) 0.0256(15) 0.0202(16) C43 0.056(2) 0.085(3) 0.0410(19) 0.029(2) 0.0288(17) 0.016(2) C44 0.054(2) 0.068(3) 0.0389(18) 0.0326(18) 0.0084(16) -0.0045(19) C45 0.062(2) 0.0453(19) 0.048(2) 0.0267(16) 0.0088(18) 0.0083(17) C46 0.059(2) 0.0386(16) 0.0403(17) 0.0197(14) 0.0190(15) 0.0169(15) C51 0.0351(14) 0.0366(14) 0.0308(13) 0.0109(11) 0.0126(11) 0.0203(12) C52 0.0346(15) 0.0404(16) 0.0444(17) 0.0087(13) 0.0124(13) 0.0150(13) C53 0.0374(17) 0.0460(19) 0.060(2) 0.0012(16) 0.0017(16) 0.0193(15) C54 0.065(2) 0.050(2) 0.0390(18) -0.0008(15) -0.0060(16) 0.0372(19) C55 0.081(3) 0.054(2) 0.0303(15) 0.0122(14) 0.0125(16) 0.043(2) C56 0.0538(18) 0.0457(17) 0.0294(14) 0.0141(12) 0.0147(13) 0.0282(15) C61 0.0321(13) 0.0349(13) 0.0312(13) 0.0143(11) 0.0189(11) 0.0182(11) C62 0.0321(14) 0.0448(16) 0.0411(15) 0.0128(13) 0.0184(12) 0.0197(13) C63 0.0434(17) 0.060(2) 0.0506(18) 0.0231(16) 0.0278(15) 0.0356(16) C64 0.0574(19) 0.0461(17) 0.0511(18) 0.0203(15) 0.0344(16) 0.0338(16) C65 0.0514(18) 0.0374(16) 0.0421(17) 0.0096(13) 0.0215(15) 0.0214(14) C66 0.0363(14) 0.0394(15) 0.0352(14) 0.0121(12) 0.0143(12) 0.0191(13) C71 0.0310(12) 0.0244(11) 0.0276(12) 0.0070(9) 0.0125(10) 0.0128(10) C72 0.0420(15) 0.0340(14) 0.0371(14) 0.0167(11) 0.0206(12) 0.0224(12) C73 0.0473(17) 0.0419(16) 0.0476(17) 0.0211(14) 0.0298(15) 0.0201(14) C74 0.0387(16) 0.0460(18) 0.0551(19) 0.0183(15) 0.0270(15) 0.0180(14) C75 0.0378(16) 0.0537(19) 0.058(2) 0.0240(16) 0.0211(15) 0.0270(15) C76 0.0380(15) 0.0377(15) 0.0402(15) 0.0182(12) 0.0161(12) 0.0212(13) C81 0.0391(14) 0.0297(13) 0.0281(12) 0.0121(10) 0.0171(11) 0.0190(11) C82 0.0536(18) 0.0304(14) 0.0335(14) 0.0131(11) 0.0204(13) 0.0200(13) C83 0.066(2) 0.0339(15) 0.0534(19) 0.0238(14) 0.0312(17) 0.0267(15) C84 0.096(3) 0.061(2) 0.0475(19) 0.0392(18) 0.043(2) 0.053(2) C85 0.156(5) 0.064(3) 0.0313(18) 0.0217(18) 0.030(2) 0.063(3) C86 0.113(4) 0.0374(18) 0.0299(16) 0.0099(13) 0.0194(19) 0.035(2) C91 0.0326(13) 0.0250(12) 0.0291(12) 0.0119(10) 0.0096(10) 0.0143(10) C92 0.0388(15) 0.0344(14) 0.0289(13) 0.0093(11) 0.0125(12) 0.0148(12) C93 0.059(2) 0.0386(16) 0.0286(14) 0.0070(12) 0.0111(14) 0.0159(15) C94 0.0437(17) 0.0373(16) 0.0379(16) 0.0122(13) -0.0034(14) 0.0094(14) C95 0.0337(15) 0.0394(17) 0.059(2) 0.0178(15) 0.0081(14) 0.0141(13) C96 0.0349(15) 0.0354(15) 0.0478(17) 0.0129(13) 0.0160(13) 0.0172(12) N1 0.055(2) 0.080(3) 0.059(2) 0.0126(19) 0.0192(17) 0.0281(19) C1 0.053(2) 0.064(2) 0.0429(18) 0.0117(16) 0.0211(17) 0.0264(18) Ag2 0.0492(2) 0.0684(3) 0.03682(19) 0.01356(17) 0.01928(16) 0.02798(19) C3 0.058(2) 0.057(2) 0.0436(18) 0.0171(17) 0.0217(17) 0.0215(18) N3 0.116(4) 0.076(3) 0.063(2) 0.014(2) 0.038(3) 0.043(3) C4 0.070(3) 0.059(2) 0.071(3) 0.026(2) 0.027(2) 0.033(2) _geom_special_details ; ? ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ag1 N2 2.279(3) . ? Ag1 P1 2.5503(18) . ? Ag1 P2 2.5635(9) . ? Ag1 P3 2.5869(10) . ? P1 C11 1.824(3) . ? P1 C21 1.825(3) . ? P1 C31 1.828(3) . ? P2 C51 1.816(3) . ? P2 C41 1.831(3) . ? P2 C61 1.835(3) . ? N2 N2 1.148(5) 2_647 ? P3 C71 1.824(3) . ? P3 C81 1.826(3) . ? P3 C91 1.832(3) . ? C11 C16 1.384(4) . ? C11 C12 1.393(4) . ? C12 C13 1.397(5) . ? C13 C14 1.374(6) . ? C14 C15 1.382(6) . ? C15 C16 1.390(5) . ? C21 C26 1.387(4) . ? C21 C22 1.398(4) . ? C22 C23 1.391(5) . ? C23 C24 1.380(6) . ? C24 C25 1.376(6) . ? C25 C26 1.402(5) . ? C31 C36 1.387(5) . ? C31 C32 1.390(5) . ? C32 C33 1.385(5) . ? C33 C34 1.385(7) . ? C34 C35 1.363(7) . ? C35 C36 1.399(5) . ? C41 C46 1.390(5) . ? C41 C42 1.393(5) . ? C42 C43 1.400(5) . ? C43 C44 1.358(7) . ? C44 C45 1.380(7) . ? C45 C46 1.392(5) . ? C51 C52 1.403(4) . ? C51 C56 1.410(4) . ? C52 C53 1.383(5) . ? C53 C54 1.379(7) . ? C54 C55 1.374(7) . ? C55 C56 1.382(5) . ? C61 C66 1.391(4) . ? C61 C62 1.398(4) . ? C62 C63 1.396(5) . ? C63 C64 1.379(5) . ? C64 C65 1.381(5) . ? C65 C66 1.396(4) . ? C71 C76 1.393(4) . ? C71 C72 1.395(4) . ? C72 C73 1.389(4) . ? C73 C74 1.387(5) . ? C74 C75 1.387(5) . ? C75 C76 1.392(5) . ? C81 C82 1.385(4) . ? C81 C86 1.390(4) . ? C82 C83 1.385(4) . ? C83 C84 1.369(5) . ? C84 C85 1.366(6) . ? C85 C86 1.391(5) . ? C91 C92 1.394(4) . ? C91 C96 1.395(4) . ? C92 C93 1.391(4) . ? C93 C94 1.388(6) . ? C94 C95 1.374(6) . ? C95 C96 1.392(5) . ? N1 C1 1.138(5) . ? C1 Ag2 2.047(4) . ? Ag2 C1 2.047(4) 2_656 ? C3 N3 1.124(6) . ? C3 C4 1.432(6) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N2 Ag1 P1 108.47(8) . . ? N2 Ag1 P2 110.72(7) . . ? P1 Ag1 P2 111.62(4) . . ? N2 Ag1 P3 101.80(7) . . ? P1 Ag1 P3 112.42(4) . . ? P2 Ag1 P3 111.36(4) . . ? C11 P1 C21 102.00(13) . . ? C11 P1 C31 103.85(14) . . ? C21 P1 C31 103.47(13) . . ? C11 P1 Ag1 118.81(10) . . ? C21 P1 Ag1 111.24(10) . . ? C31 P1 Ag1 115.58(10) . . ? C51 P2 C41 103.94(14) . . ? C51 P2 C61 102.73(13) . . ? C41 P2 C61 103.31(14) . . ? C51 P2 Ag1 111.52(10) . . ? C41 P2 Ag1 112.81(10) . . ? C61 P2 Ag1 120.77(10) . . ? N2 N2 Ag1 175.0(3) 2_647 . ? C71 P3 C81 104.10(13) . . ? C71 P3 C91 102.95(13) . . ? C81 P3 C91 101.50(13) . . ? C71 P3 Ag1 108.91(9) . . ? C81 P3 Ag1 118.10(9) . . ? C91 P3 Ag1 119.33(9) . . ? C16 C11 C12 119.0(3) . . ? C16 C11 P1 119.7(2) . . ? C12 C11 P1 121.3(2) . . ? C11 C12 C13 120.1(3) . . ? C14 C13 C12 120.4(3) . . ? C13 C14 C15 119.6(3) . . ? C14 C15 C16 120.5(3) . . ? C11 C16 C15 120.4(3) . . ? C26 C21 C22 118.8(3) . . ? C26 C21 P1 123.9(2) . . ? C22 C21 P1 117.3(2) . . ? C23 C22 C21 120.3(3) . . ? C24 C23 C22 120.3(3) . . ? C25 C24 C23 120.1(3) . . ? C24 C25 C26 119.9(3) . . ? C21 C26 C25 120.5(3) . . ? C36 C31 C32 118.8(3) . . ? C36 C31 P1 123.1(3) . . ? C32 C31 P1 118.0(2) . . ? C33 C32 C31 120.8(4) . . ? C34 C33 C32 119.9(4) . . ? C35 C34 C33 119.8(3) . . ? C34 C35 C36 120.9(4) . . ? C31 C36 C35 119.8(4) . . ? C46 C41 C42 119.1(3) . . ? C46 C41 P2 117.5(2) . . ? C42 C41 P2 123.4(3) . . ? C41 C42 C43 119.0(4) . . ? C44 C43 C42 121.4(4) . . ? C43 C44 C45 120.3(3) . . ? C44 C45 C46 119.2(4) . . ? C41 C46 C45 121.0(4) . . ? C52 C51 C56 118.4(3) . . ? C52 C51 P2 124.0(2) . . ? C56 C51 P2 117.6(2) . . ? C53 C52 C51 120.1(4) . . ? C54 C53 C52 120.6(4) . . ? C55 C54 C53 120.3(3) . . ? C54 C55 C56 120.3(4) . . ? C55 C56 C51 120.3(4) . . ? C66 C61 C62 119.1(3) . . ? C66 C61 P2 118.2(2) . . ? C62 C61 P2 122.8(2) . . ? C63 C62 C61 119.8(3) . . ? C64 C63 C62 120.8(3) . . ? C63 C64 C65 119.5(3) . . ? C64 C65 C66 120.5(3) . . ? C61 C66 C65 120.3(3) . . ? C76 C71 C72 119.1(3) . . ? C76 C71 P3 123.7(2) . . ? C72 C71 P3 117.2(2) . . ? C73 C72 C71 120.4(3) . . ? C74 C73 C72 120.0(3) . . ? C75 C74 C73 120.1(3) . . ? C74 C75 C76 119.9(3) . . ? C75 C76 C71 120.5(3) . . ? C82 C81 C86 117.5(3) . . ? C82 C81 P3 123.5(2) . . ? C86 C81 P3 119.0(2) . . ? C83 C82 C81 121.5(3) . . ? C84 C83 C82 120.0(3) . . ? C85 C84 C83 120.0(3) . . ? C84 C85 C86 120.3(4) . . ? C85 C86 C81 120.8(3) . . ? C92 C91 C96 118.8(3) . . ? C92 C91 P3 122.9(2) . . ? C96 C91 P3 118.3(2) . . ? C93 C92 C91 120.3(3) . . ? C94 C93 C92 120.1(3) . . ? C95 C94 C93 120.1(3) . . ? C94 C95 C96 120.1(3) . . ? C95 C96 C91 120.6(3) . . ? N1 C1 Ag2 176.7(4) . . ? C1 Ag2 C1 180.0 2_656 . ? N3 C3 C4 179.0(5) . . ? _diffrn_measured_fraction_theta_max 0.894 _diffrn_reflns_theta_full 28.27 _diffrn_measured_fraction_theta_full 0.94 _refine_diff_density_max 1.492 _refine_diff_density_min -0.446 _refine_diff_density_rms 0.105 #=END data_cnagsb _audit_creation_date 98-04-05 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common AgCN:SbPh3(1:2) #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 #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 14.249(5) #ActaC _cell_length_b 9.314(5) #ActaC _cell_length_c 28.814(10) #ActaC _cell_angle_alpha 90.00000 #ActaC _cell_angle_beta 117.55(2) #ActaC _cell_angle_gamma 90.00000 #ActaC _cell_volume 3390(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 ? #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 1.646 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 ? #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 5949 #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 16 #ActaC _diffrn_reflns_limit_k_min 0 #ActaC _diffrn_reflns_limit_k_max 11 #ActaC _diffrn_reflns_limit_l_min -34 #ActaC _diffrn_reflns_limit_l_max 30 #ActaC _diffrn_reflns_theta_min 1.59 #ActaC _diffrn_reflns_theta_max 25. #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 Ag ? 0 4 -1.085 1.101 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 Sb ? 0 8 -.816 1.546 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 N ? 0 4 .004 .003 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 C ? 0 148 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 120 0 0 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 .61329(4) .68465(6) .77106(2) .0670(3) Uani ? ? C .5447(5) .8934(7) .7600(3) .056(3) Uani ? ? N .5016(5) .9988(7) .7507(3) .080(3) Uani ? ? Sb1 .77668(3) .60834(5) .864793(18) .0594(3) Uani ? ? C111 .9354(5) .6762(8) .8879(3) .066(4) Uani ? ? C112 .9761(7) .6564(11) .8538(4) .101(6) Uani ? ? C113 1.0800(8) .6994(13) .8677(4) .130(8) Uani ? ? C114 1.1399(7) .7592(13) .9141(4) .126(7) Uani ? ? C115 1.1012(6) .7791(11) .9475(4) .109(6) Uani ? ? C116 1.0001(6) .7393(10) .9351(3) .084(5) Uani ? ? C121 .7672(5) .6742(8) .9330(3) .067(4) Uani ? ? C122 .7210(7) .8024(11) .9310(4) .100(6) Uani ? ? C123 .7177(9) .8564(12) .9766(5) .137(9) Uani ? ? C124 .7619(9) .7778(15) 1.0222(4) .140(9) Uani ? ? C125 .8049(7) .6529(13) 1.0229(4) .116(7) Uani ? ? C126 .8093(6) .5970(10) .9793(3) .082(5) Uani ? ? C131 .8088(5) .3852(7) .8772(3) .058(3) Uani ? ? C132 .9065(5) .3325(8) .9163(3) .071(4) Uani ? ? C133 .9239(6) .1881(9) .9219(3) .079(4) Uani ? ? C134 .8509(6) .0923(8) .8890(4) .085(5) Uani ? ? C135 .7569(6) .1436(9) .8513(4) .101(6) Uani ? ? C136 .7369(5) .2888(8) .8459(3) .074(4) Uani ? ? Sb2 .67046(4) .61030(6) .69362(2) .0658(3) Uani ? ? C211 .6557(6) .3876(8) .6742(3) .070(4) Uani ? ? C212 .7128(11) .2959(11) .7109(4) .150(8) Uani ? ? C213 .7030(14) .1496(13) .7020(6) .199(11) Uani ? ? C214 .6361(11) .0990(13) .6564(6) .166(10) Uani ? ? C215 .5778(13) .1931(14) .6182(5) .214(11) Uani ? ? C216 .5894(11) .3335(13) .6293(5) .178(9) Uani ? ? C221a .5584(10) .6816(15) .6171(5) .057(3) Uiso ? ? C221b .5674(12) .7119(17) .6231(6) .072(4) Uiso ? ? C222a .5696(15) .659(2) .5729(8) .105(6) Uiso ? ? C222b .5956(11) .7580(17) .5858(6) .073(4) Uiso ? ? C223a .4960(19) .710(3) .5219(9) .140(9) Uiso ? ? C223b .5237(15) .821(2) .5386(8) .106(6) Uiso ? ? C224a .4199(17) .783(2) .5179(9) .127(8) Uiso ? ? C224b .4224(14) .8474(19) .5312(7) .090(5) Uiso ? ? C225 .3935(7) .7984(14) .5633(5) .152(8) Uani ? ? C226 .4657(7) .7366(14) .6123(4) .126(7) Uani ? ? C231 .8137(5) .6538(8) .6906(3) .064(4) Uani ? ? C232 .8551(6) .5674(10) .6666(3) .088(5) Uani ? ? C233 .9477(7) .6046(12) .6637(4) .115(7) Uani ? ? C234 .9983(8) .7265(13) .6860(4) .122(7) Uani ? ? C235 .9610(8) .8141(12) .7108(4) .129(8) Uani ? ? C236 .8692(7) .7802(11) .7139(4) .103(6) Uani ? ? H112 .93393 .61332 .82065 .12710 Uiso ? ? H113 1.10783 .68790 .84347 .17090 Uiso ? ? H114 1.21063 .78640 .92357 .15230 Uiso ? ? H115 1.14492 .82068 .98059 .12090 Uiso ? ? H116 .97396 .75701 .95948 .09650 Uiso ? ? H122 .69126 .85654 .89963 .13330 Uiso ? ? H123 .68551 .94610 .97615 .18330 Uiso ? ? H124 .76136 .81108 1.05338 .18670 Uiso ? ? H125 .83359 .59849 1.05429 .14510 Uiso ? ? H126 .84155 .50628 .98142 .09670 Uiso ? ? H132 .96002 .39705 .93844 .07970 Uiso ? ? H133 .98832 .15318 .94920 .09410 Uiso ? ? H134 .86565 -.00761 .89204 .10550 Uiso ? ? H135 .70513 .07866 .82835 .11330 Uiso ? ? H136 .67080 .32181 .81930 .08370 Uiso ? ? H212 .76032 .33075 .74427 .16280 Uiso ? ? H213 .74570 .08623 .72949 .22940 Uiso ? ? H214 .62612 -.00187 .65025 .20880 Uiso ? ? H215 .53196 .16358 .58335 .22310 Uiso ? ? H216 .54623 .39875 .60229 .17860 Uiso ? ? H222a .62838 .60161 .57485 .13690 Uiso ? ? H222b .66742 .74736 .59204 .09180 Uiso ? ? H223a .50145 .68589 .49021 .17840 Uiso ? ? H223b .54064 .84475 .51089 .12960 Uiso ? ? H224a .37454 .83359 .48666 .14460 Uiso ? ? H224b .37391 .90809 .50480 .10170 Uiso ? ? H225 .32538 .82242 .55656 .16390 Uiso ? ? H226 .44574 .72299 .63903 .15650 Uiso ? ? H232 .82055 .48000 .65129 .11390 Uiso ? ? H233 .97366 .54327 .64587 .15520 Uiso ? ? H234 1.06202 .74989 .68429 .15460 Uiso ? ? H235 .99842 .89996 .72569 .17040 Uiso ? ? H236 .84484 .84251 .73220 .12950 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 .0656(4) .0611(4) .0631(4) .0046(3) .0203(3) .0011(3) C .042(3) .049(4) .063(4) .001(3) .013(3) -.005(3) N .066(4) .071(4) .093(4) -.003(3) .028(3) -.003(4) Sb1 .0512(3) .0627(3) .0512(3) .0042(2) .0126(2) .0037(2) C111 .061(4) .066(5) .065(4) .003(4) .025(4) .015(4) C112 .096(7) .114(8) .098(7) -.012(6) .049(6) .002(6) C113 .106(7) .169(11) .147(10) -.016(8) .086(7) .026(9) C114 .064(5) .156(10) .146(9) -.011(6) .040(6) .063(8) C115 .070(5) .118(8) .106(7) -.028(5) .012(5) .026(6) C116 .072(5) .090(6) .073(5) -.002(5) .018(4) .008(5) C121 .053(4) .074(5) .075(5) -.012(4) .030(4) -.011(4) C122 .103(7) .103(7) .111(7) -.002(6) .064(6) -.013(6) C123 .132(9) .130(10) .181(12) -.020(7) .098(9) -.059(9) C124 .113(8) .226(14) .103(7) -.028(9) .068(7) -.047(9) C125 .085(6) .179(11) .081(6) -.017(7) .037(5) -.014(7) C126 .066(5) .107(7) .057(4) -.008(5) .016(4) -.001(5) C131 .052(4) .061(4) .054(4) .004(3) .018(3) .004(4) C132 .059(4) .077(5) .058(4) .003(4) .012(4) -.005(4) C133 .076(5) .077(5) .076(5) .016(5) .028(4) .016(5) C134 .077(5) .057(5) .119(7) .002(4) .043(5) -.001(5) C135 .062(5) .080(6) .129(8) -.015(4) .018(5) -.015(6) C136 .045(4) .076(6) .079(5) -.001(4) .009(4) .002(4) Sb2 .0650(3) .0767(4) .0610(3) .0087(3) .0338(3) .0025(3) C211 .067(5) .077(5) .075(5) .006(4) .039(4) -.004(4) C212 .216(13) .078(7) .098(8) .000(8) .024(8) .004(6) C213 .255(17) .094(9) .199(15) .024(11) .063(14) .033(10) C214 .194(14) .112(10) .189(13) -.052(9) .085(11) -.050(9) C215 .243(16) .133(12) .148(12) .001(12) -.010(12) -.032(10) C216 .190(12) .116(9) .120(9) .033(9) -.020(9) -.029(8) C225 .059(6) .190(13) .155(10) .053(7) .005(6) .018(9) C226 .093(7) .171(11) .106(7) .025(7) .040(6) .001(8) C231 .061(4) .076(5) .053(4) .002(4) .026(4) .003(4) C232 .071(5) .112(7) .091(6) -.019(5) .046(5) -.018(5) C233 .086(6) .161(10) .122(8) -.014(7) .067(6) -.027(7) C234 .103(7) .165(11) .109(8) -.049(7) .059(6) -.027(7) C235 .127(9) .138(9) .128(9) -.068(8) .066(7) -.046(8) C236 .102(7) .100(7) .110(7) -.006(6) .051(6) -.002(6) _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 720(44) #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 4495 #ActaC _refine_ls_number_parameters 368 #ActaC _refine_ls_number_restraints 0 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .06 #ActaC _refine_ls_R_factor_obs .048 #ActaC _refine_ls_wR_factor_all .059 #ActaC _refine_ls_wR_factor_obs .057 #ActaC _refine_ls_goodness_of_fit_all 2.323 #ActaC _refine_ls_goodness_of_fit_obs 2.624 #ActaC _refine_ls_shift/esd_max .05 #ActaC _refine_ls_shift/esd_mean .005 #ActaC _refine_diff_density_min -.849 #ActaC _refine_diff_density_max 1.653 #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 C 2.133(7) . . ? Ag N 2.263(7) . 4_646 ? Ag Sb1 2.7208(9) . . ? Ag Sb2 2.7937(12) . . ? C N 1.122(9) . . ? Sb1 C111 2.137(8) . . ? Sb1 C121 2.123(9) . . ? Sb1 C131 2.123(7) . . ? C111 C112 1.363(16) . . ? C111 C116 1.374(10) . . ? C112 C113 1.403(15) . . ? C112 H112 .951(9) . . ? C113 C114 1.331(15) . . ? C113 H113 .954(15) . . ? C114 C115 1.326(18) . . ? C114 H114 .949(10) . . ? C115 C116 1.366(13) . . ? C115 H115 .947(9) . . ? C116 H116 .949(10) . . ? C121 C122 1.351(13) . . ? C121 C126 1.384(11) . . ? C122 C123 1.43(2) . . ? C122 H122 .947(10) . . ? C123 C124 1.376(17) . . ? C123 H123 .950(12) . . ? C124 C125 1.310(18) . . ? C124 H124 .955(13) . . ? C125 C126 1.387(15) . . ? C125 H125 .949(10) . . ? C126 H126 .950(9) . . ? C131 C132 1.413(8) . . ? C131 C136 1.348(9) . . ? C132 C133 1.364(11) . . ? C132 H132 .949(7) . . ? C133 C134 1.366(10) . . ? C133 H133 .948(7) . . ? C134 C135 1.363(10) . . ? C134 H134 .949(8) . . ? C135 C136 1.376(12) . . ? C135 H135 .947(8) . . ? C136 H136 .949(6) . . ? Sb2 C211 2.133(8) . . ? Sb2 C221a 2.144(11) . . ? Sb2 C221b 2.103(13) . . ? Sb2 C231 2.122(8) . . ? C211 C212 1.308(12) . . ? C211 C216 1.301(13) . . ? C212 C213 1.382(16) . . ? C212 H212 .942(10) . . ? C213 C214 1.302(18) . . ? C213 H213 .949(13) . . ? C214 C215 1.351(18) . . ? C214 H214 .955(12) . . ? C215 C216 1.338(18) . . ? C215 H215 .951(13) . . ? C216 H216 .954(11) . . ? C221a C221b .32(2) . . ? C221a C222a 1.37(3) . . ? C221a C222b 1.43(3) . . ? C221a C226 1.36(2) . . ? C221b C222a 1.54(3) . . ? C221b C222b 1.38(3) . . ? C221b C226 1.35(2) . . ? C222a C222b 1.00(2) . . ? C222a C223a 1.44(3) . . ? C222a C223b 1.75(3) . . ? C222a H222a .97(2) . . ? C222a H222b 1.49(2) . . ? C222b C223a 1.79(2) . . ? C222b C223b 1.40(2) . . ? C222b H222b .959(17) . . ? C223a C223b 1.13(3) . . ? C223a C224a 1.24(4) . . ? C223a C224b 1.75(3) . . ? C223a H223a .98(3) . . ? C223b C224a 1.36(3) . . ? C223b C224b 1.38(3) . . ? C223b H223b .96(3) . . ? C224a C224b .70(3) . . ? C224a C225 1.53(3) . . ? C224a H224a .96(2) . . ? C224a H224b 1.30(2) . . ? C224b C225 1.26(3) . . ? C224b H224a 1.149(17) . . ? C224b H224b .944(15) . . ? C225 C226 1.429(14) . . ? C225 H225 .924(11) . . ? C226 H226 .944(13) . . ? C231 C232 1.360(14) . . ? C231 C236 1.403(12) . . ? C232 C233 1.403(16) . . ? C232 H232 .948(9) . . ? C233 C234 1.339(15) . . ? C233 H233 .952(13) . . ? C234 C235 1.344(19) . . ? C234 H234 .957(12) . . ? C235 C236 1.388(18) . . ? C235 H235 .947(11) . . ? C236 H236 .952(12) . . ? H224a H224b .8712(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 Ag Ag 5.473(2) . 4_656 ? Ag Ag 5.473(2) . 4_646 ? Ag C 3.371(7) . 4_646 ? Ag N 3.252(7) . . ? Ag C111 4.256(6) . . ? Ag C121 4.138(7) . . ? Ag C122 4.272(11) . . ? Ag C131 4.125(6) . . ? Ag C136 4.222(8) . . ? Ag C211 4.167(9) . . ? Ag C221a 4.134(15) . . ? Ag C221b 4.011(17) . . ? Ag C226 4.084(10) . . ? Ag C231 4.443(9) . . ? Ag H122 3.7031(13) . . ? Ag H135 3.988(2) . 1_565 ? Ag H136 3.6014(18) . . ? Ag H136 3.8791(12) . 4_656 ? Ag H226 3.4495(12) . . ? Sb1 C112 3.034(12) . . ? Sb1 C116 3.124(7) . . ? Sb1 C122 2.989(12) . . ? Sb1 C126 3.114(9) . . ? Sb1 C132 3.112(7) . . ? Sb1 C136 3.031(8) . . ? Sb1 H122 2.9939(11) . . ? C111 C113 2.396(17) . . ? C111 C114 2.761(12) . . ? C111 C115 2.387(10) . . ? C111 H112 2.014(9) . . ? C111 H116 2.019(8) . . ? C112 C114 2.373(12) . . ? C112 C115 2.706(12) . . ? C112 C116 2.337(14) . . ? C112 H113 2.054(12) . . ? C113 C115 2.301(17) . . ? C113 C116 2.695(18) . . ? C113 H112 2.050(10) . . ? C113 H114 1.985(10) . . ? C114 C116 2.343(16) . . ? C114 H113 1.982(12) . . ? C114 H115 1.970(13) . . ? C115 H114 1.976(12) . . ? C115 H116 2.007(11) . . ? C116 H115 2.012(7) . . ? C121 C123 2.402(17) . . ? C121 C124 2.777(16) . . ? C121 C125 2.397(13) . . ? C121 H122 2.004(7) . . ? C121 H126 2.037(7) . . ? C122 C124 2.424(16) . . ? C122 C125 2.729(14) . . ? C122 C126 2.358(12) . . ? C122 H123 2.085(12) . . ? C123 C125 2.320(15) . . ? C123 C126 2.730(15) . . ? C123 H122 2.070(15) . . ? C123 H124 2.047(14) . . ? C124 C126 2.364(17) . . ? C124 H123 2.016(12) . . ? C124 H125 1.953(13) . . ? C125 H124 1.957(12) . . ? C125 H126 2.035(12) . . ? C126 H125 2.024(9) . . ? C131 C133 2.401(10) . . ? C131 C134 2.780(10) . . ? C131 C135 2.378(11) . . ? C131 H132 2.061(5) . . ? C131 H136 1.991(6) . . ? C132 C134 2.382(11) . . ? C132 C135 2.730(10) . . ? C132 C136 2.364(8) . . ? C132 H133 2.006(7) . . ? C133 C135 2.345(10) . . ? C133 C136 2.718(9) . . ? C133 H132 2.013(8) . . ? C133 H134 2.023(8) . . ? C134 C136 2.381(10) . . ? C134 H133 2.006(7) . . ? C134 H135 2.007(7) . . ? C135 H134 2.020(8) . . ? C135 H136 2.015(8) . . ? C136 H135 2.020(8) . . ? Sb2 C212 2.985(10) . . ? Sb2 C216 3.072(12) . . ? Sb2 C222a 3.12(2) . . ? Sb2 C222b 3.101(16) . . ? Sb2 C226 3.010(9) . . ? Sb2 C232 3.095(11) . . ? Sb2 C236 3.055(11) . . ? Sb2 H212 2.9699(13) . . ? C211 C213 2.347(14) . . ? C211 C214 2.726(14) . . ? C211 C215 2.337(15) . . ? C211 H212 1.948(7) . . ? C211 H216 1.936(6) . . ? C212 C214 2.331(16) . . ? C212 C215 2.644(16) . . ? C212 C216 2.218(14) . . ? C212 H213 2.022(10) . . ? C213 C215 2.278(18) . . ? C213 C216 2.609(17) . . ? C213 H212 2.019(13) . . ? C213 H214 1.975(13) . . ? C214 C216 2.312(17) . . ? C214 H213 1.960(13) . . ? C214 H215 2.027(13) . . ? C215 H214 2.009(13) . . ? C215 H216 1.972(13) . . ? C216 H215 1.981(12) . . ? C221a C223a 2.48(3) . . ? C221a C223b 2.45(3) . . ? C221a C224a 2.78(2) . . ? C221a C224b 2.80(2) . . ? C221a C225 2.396(15) . . ? C221a H222a 2.037(17) . . ? C221a H222b 2.084(17) . . ? C221a H226 2.017(17) . . ? C221b C223a 2.61(3) . . ? C221b C223b 2.44(3) . . ? C221b C224a 2.85(2) . . ? C221b C224b 2.79(2) . . ? C221b C225 2.410(16) . . ? C221b H222a 2.20(2) . . ? C221b H222b 2.03(2) . . ? C221b H226 1.99(2) . . ? C222a C224a 2.29(3) . . ? C222a C224b 2.57(3) . . ? C222a C225 2.72(3) . . ? C222a C226 2.36(3) . . ? C222a H223a 2.13(2) . . ? C222a H223b 2.38(2) . . ? C222b C224a 2.37(2) . . ? C222b C224b 2.38(2) . . ? C222b C225 2.67(2) . . ? C222b C226 2.32(2) . . ? C222b H222a 1.605(17) . . ? C222b H223b 2.088(16) . . ? C223a C225 2.42(3) . . ? C223a C226 2.84(3) . . ? C223a H222a 2.06(2) . . ? C223a H222b 2.37(2) . . ? C223a H223b 1.50(3) . . ? C223a H224a 1.93(2) . . ? C223a H224b 2.42(3) . . ? C223b C225 2.28(3) . . ? C223b C226 2.73(3) . . ? C223b H222a 2.46(2) . . ? C223b H222b 2.028(17) . . ? C223b H223a 1.79(2) . . ? C223b H224a 1.957(17) . . ? C223b H224b 2.06(2) . . ? C224a C226 2.52(3) . . ? C224a H223a 1.91(3) . . ? C224a H223b 1.91(3) . . ? C224a H225 2.14(3) . . ? C224b C226 2.36(2) . . ? C224b H223a 2.48(2) . . ? C224b H223b 2.02(2) . . ? C224b H225 1.85(2) . . ? C225 H224a 2.123(14) . . ? C225 H224b 1.878(14) . . ? C225 H226 2.075(13) . . ? C226 H225 2.061(9) . . ? C231 C233 2.412(16) . . ? C231 C234 2.778(15) . . ? C231 C235 2.417(14) . . ? C231 H232 2.004(8) . . ? C231 H236 2.057(7) . . ? C232 C234 2.370(14) . . ? C232 C235 2.720(14) . . ? C232 C236 2.360(14) . . ? C232 H233 2.049(11) . . ? C233 C235 2.332(17) . . ? C233 C236 2.739(18) . . ? C233 H232 2.039(11) . . ? C233 H234 1.986(11) . . ? C234 C236 2.376(18) . . ? C234 H233 2.000(12) . . ? C234 H235 1.979(12) . . ? C235 H234 2.006(14) . . ? C235 H236 2.034(14) . . ? C236 H235 2.042(11) . . ? H222a H222b 1.4638(7) . . ? H223a H223b 1.5963(7) . . ? 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 Ag N 115.7(2) . . 4_646 ? C Ag Sb1 120.62(16) . . . ? C Ag Sb2 112.9(2) . . . ? N Ag Sb1 104.64(16) 4_646 . . ? N Ag Sb2 91.7(2) 4_646 . . ? Sb1 Ag Sb2 107.24(4) . . . ? Ag C N 174.4(5) . . . ? Ag N C 168.7(6) . 4_646 4_646 ? Ag Sb1 C111 121.9(2) . . . ? Ag Sb1 C121 116.86(18) . . . ? Ag Sb1 C131 116.24(15) . . . ? C111 Sb1 C121 97.9(3) . . . ? C111 Sb1 C131 97.0(3) . . . ? C121 Sb1 C131 103.2(3) . . . ? Sb1 C111 C112 118.5(5) . . . ? Sb1 C111 C116 124.3(7) . . . ? C112 C111 C116 117.2(8) . . . ? C111 C112 C113 120.1(9) . . . ? C111 C112 H112 120.0(10) . . . ? C113 C112 H112 119.9(12) . . . ? C112 C113 C114 120.5(13) . . . ? C112 C113 H113 120.1(10) . . . ? C114 C113 H113 119.4(11) . . . ? C113 C114 C115 120.0(10) . . . ? C113 C114 H114 120.2(14) . . . ? C115 C114 H114 119.7(10) . . . ? C114 C115 C116 121.0(8) . . . ? C114 C115 H115 119.2(9) . . . ? C116 C115 H115 119.8(11) . . . ? C111 C116 C115 121.2(10) . . . ? C111 C116 H116 119.7(8) . . . ? C115 C116 H116 119.1(8) . . . ? Sb1 C121 C122 117.0(7) . . . ? Sb1 C121 C126 123.9(6) . . . ? C122 C121 C126 119.1(9) . . . ? C121 C122 C123 119.6(9) . . . ? C121 C122 H122 120.4(11) . . . ? C123 C122 H122 120.0(10) . . . ? C122 C123 C124 119.7(11) . . . ? C122 C123 H123 121.3(12) . . . ? C124 C123 H123 119.0(15) . . . ? C123 C124 C125 119.5(12) . . . ? C123 C124 H124 121.8(14) . . . ? C125 C124 H124 118.7(11) . . . ? C124 C125 C126 122.4(10) . . . ? C124 C125 H125 118.8(12) . . . ? C126 C125 H125 118.8(11) . . . ? C121 C126 C125 119.7(9) . . . ? C121 C126 H126 120.3(9) . . . ? C125 C126 H126 119.9(8) . . . ? Sb1 C131 C132 122.1(5) . . . ? Sb1 C131 C136 120.1(5) . . . ? C132 C131 C136 117.8(7) . . . ? C131 C132 C133 119.7(6) . . . ? C131 C132 H132 120.3(7) . . . ? C133 C132 H132 120.0(6) . . . ? C132 C133 C134 121.5(6) . . . ? C132 C133 H133 119.3(7) . . . ? C134 C133 H133 119.1(8) . . . ? C133 C134 C135 118.5(7) . . . ? C133 C134 H134 120.7(7) . . . ? C135 C134 H134 120.8(7) . . . ? C134 C135 C136 120.7(7) . . . ? C134 C135 H135 119.6(8) . . . ? C136 C135 H135 119.7(7) . . . ? C131 C136 C135 121.7(6) . . . ? C131 C136 H136 119.3(8) . . . ? C135 C136 H136 119.1(7) . . . ? Ag Sb2 C211 114.9(3) . . . ? Ag Sb2 C221a 113.0(5) . . . ? Ag Sb2 C221b 109.2(5) . . . ? Ag Sb2 C231 128.82(19) . . . ? C211 Sb2 C221a 95.5(4) . . . ? C211 Sb2 C221b 104.1(5) . . . ? C211 Sb2 C231 98.9(3) . . . ? C221a Sb2 C221b 8.7(5) . . . ? C221a Sb2 C231 99.9(5) . . . ? C221b Sb2 C231 97.4(5) . . . ? Sb2 C211 C212 118.3(6) . . . ? Sb2 C211 C216 125.1(7) . . . ? C212 C211 C216 116.4(9) . . . ? C211 C212 C213 121.5(10) . . . ? C211 C212 H212 119.0(10) . . . ? C213 C212 H212 119.5(11) . . . ? C212 C213 C214 120.5(12) . . . ? C212 C213 H213 119.2(13) . . . ? C214 C213 H213 120.3(12) . . . ? C213 C214 C215 118.3(12) . . . ? C213 C214 H214 121.4(13) . . . ? C215 C214 H214 120.3(12) . . . ? C214 C215 C216 118.6(11) . . . ? C214 C215 H215 122.4(13) . . . ? C216 C215 H215 118.9(12) . . . ? C211 C216 C215 124.6(11) . . . ? C211 C216 H216 117.6(11) . . . ? C215 C216 H216 117.8(11) . . . ? Sb2 C221a C221b 78(3) . . . ? Sb2 C221a C222a 123.9(11) . . . ? Sb2 C221a C222b 119.1(9) . . . ? Sb2 C221a C226 116.5(11) . . . ? C221b C221a C222a 116(5) . . . ? C221b C221a C222b 75(4) . . . ? C221b C221a C226 81(4) . . . ? C222a C221a C222b 41.7(12) . . . ? C222a C221a C226 119.2(12) . . . ? C222b C221a C226 112.0(12) . . . ? Sb2 C221b C221a 93(3) . . . ? Sb2 C221b C222a 117.1(11) . . . ? Sb2 C221b C222b 124.7(12) . . . ? Sb2 C221b C226 119.5(13) . . . ? C221a C221b C222a 53(4) . . . ? C221a C221b C222b 92(5) . . . ? C221a C221b C226 85(4) . . . ? C222a C221b C222b 39.4(11) . . . ? C222a C221b C226 108.9(12) . . . ? C222b C221b C226 115.8(12) . . . ? C221a C222a C221b 10.9(9) . . . ? C221a C222a C222b 72.3(18) . . . ? C221a C222a C223a 124(2) . . . ? C221a C222a C223b 102.7(16) . . . ? C221a C222a H222a 119.8(16) . . . ? C221a C222a H222b 93.6(12) . . . ? C221b C222a C222b 61.4(17) . . . ? C221b C222a C223a 122(2) . . . ? C221b C222a C223b 95.3(14) . . . ? C221b C222a H222a 120.7(15) . . . ? C221b C222a H222b 84.2(11) . . . ? C222b C222a C223a 92.7(18) . . . ? C222b C222a C223b 52.8(13) . . . ? C222b C222a H222a 109(2) . . . ? C222b C222a H222b 39.6(12) . . . ? C223a C222a C223b 39.9(12) . . . ? C223a C222a H222a 116(2) . . . ? C223a C222a H222b 108.3(18) . . . ? C223b C222a H222a 126(2) . . . ? C223b C222a H222b 77.1(11) . . . ? H222a C222a H222b 69.5(12) . . . ? C221a C222b C221b 13.1(8) . . . ? C221a C222b C222a 66.0(19) . . . ? C221a C222b C223a 100.2(14) . . . ? C221a C222b C223b 120.3(16) . . . ? C221a C222b H222b 120.3(13) . . . ? C221b C222b C222a 79(2) . . . ? C221b C222b C223a 110.3(15) . . . ? C221b C222b C223b 122.9(17) . . . ? C221b C222b H222b 119.5(13) . . . ? C222a C222b C223a 53.4(14) . . . ? C222a C222b C223b 92.5(16) . . . ? C222a C222b H222b 99(2) . . . ? C223a C222b C223b 39.2(12) . . . ? C223a C222b H222b 116.0(18) . . . ? C223b C222b H222b 118(2) . . . ? C222a C223a C222b 33.9(10) . . . ? C222a C223a C223b 85.3(17) . . . ? C222a C223a C224a 118(3) . . . ? C222a C223a C224b 107(2) . . . ? C222a C223a H223a 123(3) . . . ? C222b C223a C223b 51.5(13) . . . ? C222b C223a C224a 102(2) . . . ? C222b C223a C224b 84.6(14) . . . ? C222b C223a H223a 131(2) . . . ? C223b C223a C224a 70(2) . . . ? C223b C223a C224b 52.0(17) . . . ? C223b C223a H223a 117(3) . . . ? C224a C223a C224b 18.9(12) . . . ? C224a C223a H223a 119(2) . . . ? C224b C223a H223a 129(2) . . . ? C222a C223b C222b 34.7(10) . . . ? C222a C223b C223a 54.8(15) . . . ? C222a C223b C224a 94.1(17) . . . ? C222a C223b C224b 109.4(18) . . . ? C222a C223b H223b 120(2) . . . ? C222b C223b C223a 89.4(18) . . . ? C222b C223b C224a 119(2) . . . ? C222b C223b C224b 118(2) . . . ? C222b C223b H223b 124(2) . . . ? C223a C223b C224a 59(2) . . . ? C223a C223b C224b 88(2) . . . ? C223a C223b H223b 92(2) . . . ? C224a C223b C224b 29.8(14) . . . ? C224a C223b H223b 109.7(18) . . . ? C224b C223b H223b 118.4(17) . . . ? C223a C224a C223b 51.2(17) . . . ? C223a C224a C224b 126(3) . . . ? C223a C224a C225 122(2) . . . ? C223a C224a H224a 123(3) . . . ? C223a C224a H224b 145(3) . . . ? C223b C224a C224b 77(3) . . . ? C223b C224a C225 104.4(17) . . . ? C223b C224a H224a 114(2) . . . ? C223b C224a H224b 101.2(18) . . . ? C224b C224a C225 55(3) . . . ? C224b C224a H224a 86(2) . . . ? C224b C224a H224b 44.6(18) . . . ? C225 C224a H224a 116(2) . . . ? C225 C224a H224b 82.7(16) . . . ? H224a C224a H224b 41.9(9) . . . ? C223a C224b C223b 40.0(13) . . . ? C223a C224b C224a 35(2) . . . ? C223a C224b C225 105.8(15) . . . ? C223a C224b H224a 80.5(13) . . . ? C223a C224b H224b 125(2) . . . ? C223b C224b C224a 74(3) . . . ? C223b C224b C225 119.7(15) . . . ? C223b C224b H224a 100.9(18) . . . ? C223b C224b H224b 124(2) . . . ? C224a C224b C225 98(3) . . . ? C224a C224b H224a 56(2) . . . ? C224a C224b H224b 104(2) . . . ? C225 C224b H224a 123.6(16) . . . ? C225 C224b H224b 116(2) . . . ? H224a C224b H224b 48.0(7) . . . ? C224a C225 C224b 27.2(12) . . . ? C224a C225 C226 117.3(12) . . . ? C224a C225 H225 119.6(12) . . . ? C224b C225 C226 122.8(12) . . . ? C224b C225 H225 115.2(13) . . . ? C226 C225 H225 120.8(14) . . . ? C221a C226 C221b 13.7(8) . . . ? C221a C226 C225 118.2(12) . . . ? C221a C226 H226 120.7(11) . . . ? C221b C226 C225 120.0(13) . . . ? C221b C226 H226 119.0(11) . . . ? C225 C226 H226 120.6(11) . . . ? Sb2 C231 C232 124.0(6) . . . ? Sb2 C231 C236 118.7(7) . . . ? C232 C231 C236 117.3(9) . . . ? C231 C232 C233 121.6(9) . . . ? C231 C232 H232 119.4(10) . . . ? C233 C232 H232 119.0(11) . . . ? C232 C233 C234 119.6(11) . . . ? C232 C233 H233 119.7(10) . . . ? C234 C233 H233 120.7(12) . . . ? C233 C234 C235 120.7(12) . . . ? C233 C234 H234 118.8(13) . . . ? C235 C234 H234 120.5(11) . . . ? C234 C235 C236 120.8(10) . . . ? C234 C235 H235 118.4(13) . . . ? C236 C235 H235 120.8(13) . . . ? C231 C236 C235 120.0(10) . . . ? C231 C236 H236 120.5(11) . . . ? C235 C236 H236 119.6(10) . . . ? C222a H222b C222b 41.5(13) . . . ? C224a H224a C224b 37.7(17) . . . ? C224a H224a H224b 91.1(15) . . . ? C224b H224a H224b 53.6(9) . . . ? C224a H224b C224b 31.6(14) . . . ? C224a H224b H224a 47.1(10) . . . ? C224b H224b H224a 78.4(11) . . . ? 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 16 _reflns_limit_k_min 0 _reflns_limit_k_max 11 _reflns_limit_l_min -34 _reflns_limit_l_max 30 _reflns_number_total 5943 #ActaC _reflns_number_observed 4496 #ActaC _reflns_observed_criterion refl_observed_if_Inet_>_.000_sigma(Inet) _reflns_d_resolution_high .841 _reflns_d_resolution_low 12.773 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? .955069 #=END data_pagcn _audit_creation_date 97-12-01 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common AgCN:PPh3(1:1) #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum C38_H30_Ag2_P2_N2 #ActaC _chemical_formula_weight 792.36 #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #ActaC _computing_data_reduction xtal_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 9.708(2) #ActaC _cell_length_b 20.159(8) #ActaC _cell_length_c 19.154(4) #ActaC _cell_angle_alpha 90.00000 #ActaC _cell_angle_beta 114.96(2) #ActaC _cell_angle_gamma 90.00000 #ActaC _cell_volume 3398.4(18) #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 1.549 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 1584 #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 8001 #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI .039 #ActaC _diffrn_reflns_limit_h_min 0 #ActaC _diffrn_reflns_limit_h_max 12 #ActaC _diffrn_reflns_limit_k_min 0 #ActaC _diffrn_reflns_limit_k_max 28 #ActaC _diffrn_reflns_limit_l_min -24 #ActaC _diffrn_reflns_limit_l_max 24 #ActaC _diffrn_reflns_theta_min 1.55 #ActaC _diffrn_reflns_theta_max 29.96 #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 ? 0 152 .002 .002 Int._Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 120 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 P ? 0 8 .09 .095 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 .17890(5) .18262(2) .17756(3) .0480(2) Uani ? ? Ag2 .33662(7) .23392(3) -.05721(3) .0687(3) Uani ? ? C1 .2947(8) .2172(3) .0378(4) .065(4) Uani ? ? N1 .2676(6) .2053(3) .0876(3) .074(4) Uani ? ? C2 .3483(8) .2590(4) .3383(4) .068(4) Uani ? ? N2 .3332(7) .2565(3) .2766(3) .082(4) Uani ? ? P1 .25149(18) .07487(8) .24415(9) .0461(8) Uani ? ? C111 .4322(7) .0408(3) .2519(3) .049(3) Uani ? ? C112 .5291(7) .0826(3) .2391(4) .064(4) Uani ? ? C113 .6672(8) .0600(4) .2430(4) .086(5) Uani ? ? C114 .7075(8) -.0037(4) .2593(4) .084(5) Uani ? ? C115 .6115(8) -.0472(4) .2722(5) .085(5) Uani ? ? C116 .4757(8) -.0240(3) .2694(4) .068(4) Uani ? ? C121 .1157(6) .0096(3) .1992(3) .048(3) Uani ? ? C122 .0240(8) .0148(3) .1206(4) .071(4) Uani ? ? C123 -.0788(9) -.0338(4) .0818(4) .088(5) Uani ? ? C124 -.0962(9) -.0873(4) .1208(5) .098(5) Uani ? ? C125 -.0082(9) -.0931(4) .1990(5) .085(5) Uani ? ? C126 .0949(8) -.0450(3) .2371(4) .066(4) Uani ? ? C131 .2684(7) .0770(3) .3429(3) .050(3) Uani ? ? C132 .1377(8) .0928(4) .3524(4) .073(4) Uani ? ? C133 .1464(9) .1034(4) .4262(5) .087(5) Uani ? ? C134 .2875(10) .0983(4) .4896(4) .092(5) Uani ? ? C135 .4122(10) .0816(4) .4799(4) .099(6) Uani ? ? C136 .4006(8) .0699(4) .4057(4) .076(4) Uani ? ? P2 -.08522(18) .22414(8) .11806(8) .0439(8) Uani ? ? C211 -.1734(6) .2442(3) .1834(3) .044(3) Uani ? ? C212 -.3153(7) .2710(3) .1592(4) .061(4) Uani ? ? C213 -.3784(8) .2827(4) .2101(4) .071(4) Uani ? ? C214 -.2928(8) .2707(4) .2870(4) .076(5) Uani ? ? C215 -.1493(8) .2466(4) .3134(4) .072(4) Uani ? ? C216 -.0870(7) .2321(3) .2614(3) .057(4) Uani ? ? C221 -.1145(7) .3001(3) .0627(3) .047(3) Uani ? ? C222 -.0233(8) .3539(3) .0987(4) .069(4) Uani ? ? C223 -.0452(10) .4148(3) .0623(4) .086(5) Uani ? ? C224 -.1525(9) .4214(4) -.0117(4) .084(5) Uani ? ? C225 -.2391(9) .3688(4) -.0490(4) .081(5) Uani ? ? C226 -.2228(8) .3088(3) -.0117(4) .065(4) Uani ? ? C231 -.2155(7) .1649(3) .0491(3) .046(3) Uani ? ? C232 -.1785(8) .1459(3) -.0115(4) .065(4) Uani ? ? C233 -.2727(9) .1007(3) -.0663(4) .079(4) Uani ? ? C234 -.3943(9) .0742(3) -.0589(4) .084(4) Uani ? ? C235 -.4292(8) .0911(3) .0003(4) .076(4) Uani ? ? C236 -.3387(7) .1375(3) .0557(4) .059(3) Uani ? ? H112 .50024 .12976 .22818 .08100 Uiso ? ? H113 .73601 .09021 .23348 .10800 Uiso ? ? H114 .80433 -.02043 .26102 .10400 Uiso ? ? H115 .63864 -.09442 .28529 .10100 Uiso ? ? H116 .40919 -.05427 .28065 .08300 Uiso ? ? H122 .03571 .05344 .09244 .08200 Uiso ? ? H123 -.13853 -.03055 .02588 .10100 Uiso ? ? H124 -.17074 -.12090 .09432 .11500 Uiso ? ? H125 -.02251 -.13148 .22650 .11200 Uiso ? ? H126 .15745 -.04930 .29295 .08900 Uiso ? ? H132 .04036 .09649 .30739 .10000 Uiso ? ? H133 .05493 .11391 .43372 .12400 Uiso ? ? H134 .29590 .10768 .54088 .11700 Uiso ? ? H135 .51042 .07760 .52399 .11500 Uiso ? ? H136 .49011 .05542 .39909 .09100 Uiso ? ? H212 -.37022 .28298 .10547 .08000 Uiso ? ? H213 -.48223 .29855 .19245 .09400 Uiso ? ? H214 -.33588 .27922 .32376 .09700 Uiso ? ? H215 -.08871 .24039 .36861 .09400 Uiso ? ? H216 .01554 .21352 .27934 .07400 Uiso ? ? H222 .05988 .34828 .15083 .09000 Uiso ? ? H223 .01683 .45275 .08963 .11300 Uiso ? ? H224 -.16680 .46472 -.03649 .11700 Uiso ? ? H225 -.31352 .37348 -.10320 .10300 Uiso ? ? H226 -.29092 .27165 -.03823 .07300 Uiso ? ? H232 -.08653 .16444 -.01495 .08200 Uiso ? ? H233 -.24884 .08845 -.10993 .09200 Uiso ? ? H234 -.45572 .04209 -.09762 .09200 Uiso ? ? H235 -.51724 .07092 .00366 .08900 Uiso ? ? H236 -.36363 .15053 .09856 .06700 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 .0516(3) .0528(3) .0436(3) .0001(3) .0240(2) .0020(2) Ag2 .0784(4) .0876(4) .0515(3) -.0155(3) .0387(3) .0022(3) C1 .071(5) .082(5) .050(4) -.011(4) .034(4) .001(4) N1 .079(4) .104(5) .058(3) -.019(4) .046(3) -.004(3) C2 .067(5) .086(5) .065(4) -.022(4) .041(4) -.027(4) N2 .081(4) .116(5) .060(4) -.036(4) .041(3) -.039(4) P1 .0450(9) .0472(10) .0481(9) .0019(8) .0215(8) .0024(8) C111 .048(4) .058(4) .040(3) .001(3) .020(3) -.006(3) C112 .041(4) .087(5) .060(4) .006(4) .017(3) .011(4) C113 .053(5) .133(7) .073(5) -.001(5) .027(4) .015(5) C114 .060(5) .122(7) .077(5) .027(5) .035(4) .011(5) C115 .069(5) .086(6) .093(6) .029(4) .027(5) .004(5) C116 .073(5) .062(5) .082(5) .008(4) .045(4) .006(4) C121 .047(4) .041(3) .054(4) .003(3) .020(3) .002(3) C122 .071(5) .060(5) .074(5) .006(4) .022(4) .002(4) C123 .076(5) .086(6) .076(5) -.005(5) .005(4) -.017(5) C124 .094(6) .059(5) .139(8) -.031(5) .047(6) -.031(5) C125 .104(6) .062(5) .105(6) -.009(5) .060(5) -.001(5) C126 .071(5) .057(4) .079(5) -.007(4) .041(4) -.004(4) C131 .060(4) .047(4) .047(4) .001(3) .027(3) .004(3) C132 .074(5) .077(5) .084(5) .011(4) .050(4) .011(4) C133 .119(7) .077(5) .105(6) -.000(5) .086(6) .000(5) C134 .134(8) .092(6) .068(5) .000(5) .060(5) -.003(4) C135 .122(7) .118(7) .050(5) .001(6) .029(5) -.002(5) C136 .070(5) .104(6) .054(4) .009(4) .026(4) .001(4) P2 .0466(9) .0491(10) .0385(8) .0014(8) .0203(7) -.0012(7) C211 .051(4) .041(3) .048(3) -.009(3) .028(3) -.006(3) C212 .061(4) .072(5) .060(4) .003(4) .034(4) -.009(4) C213 .063(5) .079(5) .086(5) .004(4) .046(4) -.011(4) C214 .088(5) .090(6) .075(5) -.023(5) .060(4) -.025(4) C215 .084(5) .093(6) .049(4) -.004(4) .037(4) -.003(4) C216 .057(4) .070(5) .049(4) -.005(4) .027(3) -.003(3) C221 .053(4) .048(4) .044(3) .004(3) .024(3) .003(3) C222 .080(5) .067(5) .059(4) -.018(4) .029(4) -.001(4) C223 .123(7) .056(5) .091(6) -.027(5) .057(5) -.007(4) C224 .110(6) .072(5) .097(6) .018(5) .070(5) .026(5) C225 .087(6) .084(6) .068(5) .020(5) .027(4) .015(4) C226 .072(5) .062(5) .057(4) .013(4) .024(4) .007(3) C231 .056(4) .042(4) .042(3) -.003(3) .021(3) -.002(3) C232 .076(5) .063(5) .058(4) -.003(4) .030(4) -.010(4) C233 .108(6) .066(5) .059(5) -.000(5) .032(4) -.016(4) C234 .106(6) .057(5) .062(5) -.010(4) .008(4) -.011(4) C235 .067(5) .065(5) .086(5) -.013(4) .021(4) -.005(4) C236 .064(4) .051(4) .056(4) -.005(3) .020(3) -.003(3) _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 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 4437 #ActaC _refine_ls_number_parameters 399 #ActaC _refine_ls_number_restraints 0 #ActaC _refine_ls_number_constraints 0 #ActaC _refine_ls_R_factor_all .083 #ActaC _refine_ls_R_factor_obs .045 #ActaC _refine_ls_wR_factor_all .052 #ActaC _refine_ls_wR_factor_obs .046 #ActaC _refine_ls_goodness_of_fit_all 1.426 #ActaC _refine_ls_goodness_of_fit_obs 1.709 #ActaC _refine_ls_shift/esd_max .042 #ActaC _refine_ls_shift/esd_mean .004 #ActaC _refine_diff_density_min -.836 #ActaC _refine_diff_density_max .637 #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 2.274(7) . . ? Ag1 N2 2.380(5) . . ? Ag1 P1 2.4663(18) . . ? Ag1 P2 2.4713(17) . . ? Ag2 C1 2.054(8) . . ? Ag2 C2 2.056(8) . 4_554 ? C1 N1 1.117(11) . . ? C2 N2 1.129(10) . . ? P1 C111 1.830(7) . . ? P1 C121 1.804(6) . . ? P1 C131 1.828(7) . . ? C111 C112 1.360(10) . . ? C111 C116 1.371(9) . . ? C112 C113 1.388(11) . . ? C112 H112 .989(7) . . ? C113 C114 1.341(12) . . ? C113 H113 .976(9) . . ? C114 C115 1.375(12) . . ? C114 H114 .986(8) . . ? C115 C116 1.378(12) . . ? C115 H115 .992(8) . . ? C116 H116 .977(8) . . ? C121 C122 1.394(8) . . ? C121 C126 1.378(10) . . ? C122 C123 1.372(10) . . ? C122 H122 .980(8) . . ? C123 C124 1.363(12) . . ? C123 H123 .981(7) . . ? C124 C125 1.380(11) . . ? C124 H124 .964(7) . . ? C125 C126 1.364(9) . . ? C125 H125 .978(8) . . ? C126 H126 .986(7) . . ? C131 C132 1.393(11) . . ? C131 C136 1.346(8) . . ? C132 C133 1.397(13) . . ? C132 H132 .976(6) . . ? C133 C134 1.399(10) . . ? C133 H133 .981(10) . . ? C134 C135 1.342(15) . . ? C134 H134 .969(9) . . ? C135 C136 1.398(11) . . ? C135 H135 .974(7) . . ? C136 H136 .974(9) . . ? P2 C211 1.834(7) . . ? P2 C221 1.815(6) . . ? P2 C231 1.832(5) . . ? C211 C212 1.365(9) . . ? C211 C216 1.393(8) . . ? C212 C213 1.374(12) . . ? C212 H212 .969(6) . . ? C213 C214 1.375(9) . . ? C213 H213 .972(7) . . ? C214 C215 1.355(11) . . ? C214 H214 .973(9) . . ? C215 C216 1.396(12) . . ? C215 H215 .977(6) . . ? C216 H216 .980(6) . . ? C221 C222 1.386(8) . . ? C221 C226 1.380(7) . . ? C222 C223 1.383(10) . . ? C222 H222 .991(6) . . ? C223 C224 1.366(10) . . ? C223 H223 .977(7) . . ? C224 C225 1.355(10) . . ? C224 H224 .975(8) . . ? C225 C226 1.379(10) . . ? C225 H225 .988(6) . . ? C226 H226 .986(6) . . ? C231 C232 1.406(11) . . ? C231 C236 1.371(10) . . ? C232 C233 1.400(9) . . ? C232 H232 .995(8) . . ? C233 C234 1.356(13) . . ? C233 H233 .989(9) . . ? C234 C235 1.358(13) . . ? C234 H234 .975(7) . . ? C235 C236 1.408(9) . . ? C235 H235 .973(8) . . ? C236 H236 .984(8) . . ? 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 3.384(8) . . ? Ag1 C2 3.207(7) . . ? Ag2 N1 3.170(7) . . ? Ag2 N2 3.175(7) . 4_554 ? Ag2 H124 2.7062(10) . 3 ? P1 C112 2.742(8) . . ? P1 C116 2.838(7) . . ? P1 C122 2.745(6) . . ? P1 C126 2.827(7) . . ? P1 C132 2.753(9) . . ? P1 C136 2.811(7) . . ? P1 H112 2.788(2) . . ? C111 C113 2.391(11) . . ? C111 C114 2.766(11) . . ? C111 C115 2.400(10) . . ? C111 C121 2.870(8) . . ? C111 C131 2.904(11) . . ? C111 H112 2.027(6) . . ? C111 H116 2.033(6) . . ? C112 C114 2.368(11) . . ? C112 C115 2.730(10) . . ? C112 C116 2.340(10) . . ? C112 H113 2.062(7) . . ? C113 C115 2.351(12) . . ? C113 C116 2.715(12) . . ? C113 H112 2.073(8) . . ? C113 H114 2.033(8) . . ? C114 C116 2.374(12) . . ? C114 H113 2.006(8) . . ? C114 H115 2.078(9) . . ? C115 H114 2.044(9) . . ? C115 H116 2.043(9) . . ? C116 H115 2.050(7) . . ? C121 C123 2.409(8) . . ? C121 C124 2.773(9) . . ? C121 C125 2.393(10) . . ? C121 C131 2.859(8) . . ? C121 H122 2.056(6) . . ? C121 H126 2.045(6) . . ? C122 C124 2.368(11) . . ? C122 C125 2.736(11) . . ? C122 C126 2.369(10) . . ? C122 H123 2.049(6) . . ? C123 C125 2.375(12) . . ? C123 C126 2.741(10) . . ? C123 H122 2.044(8) . . ? C123 H124 2.029(8) . . ? C124 C126 2.376(10) . . ? C124 H123 2.039(9) . . ? C124 H125 2.044(9) . . ? C125 H124 2.038(7) . . ? C125 H126 2.040(7) . . ? C126 H125 2.046(7) . . ? C131 C133 2.415(13) . . ? C131 C134 2.771(11) . . ? C131 C135 2.399(9) . . ? C131 H132 2.061(6) . . ? C131 H136 2.007(6) . . ? C132 C134 2.411(10) . . ? C132 C135 2.762(9) . . ? C132 C136 2.360(10) . . ? C132 H133 2.076(9) . . ? C133 C135 2.381(12) . . ? C133 C136 2.742(13) . . ? C133 H132 2.069(8) . . ? C133 H134 2.061(7) . . ? C134 C136 2.368(14) . . ? C134 H133 2.074(8) . . ? C134 H135 2.022(9) . . ? C135 H134 2.007(10) . . ? C135 H136 2.058(10) . . ? C136 H135 2.063(7) . . ? P2 C212 2.826(8) . . ? P2 C216 2.758(7) . . ? P2 C222 2.745(7) . . ? P2 C226 2.841(6) . . ? P2 C232 2.750(7) . . ? P2 C236 2.838(6) . . ? C211 C213 2.385(11) . . ? C211 C214 2.741(12) . . ? C211 C215 2.402(10) . . ? C211 C221 2.837(10) . . ? C211 C231 2.906(9) . . ? C211 H212 2.021(5) . . ? C211 H216 2.069(5) . . ? C212 C214 2.365(11) . . ? C212 C215 2.747(9) . . ? C212 C216 2.387(8) . . ? C212 H213 2.053(8) . . ? C213 C215 2.383(8) . . ? C213 C216 2.768(10) . . ? C213 H212 2.038(9) . . ? C213 H214 2.039(8) . . ? C214 C216 2.380(12) . . ? C214 H213 2.042(6) . . ? C214 H215 2.031(6) . . ? C215 H214 2.014(9) . . ? C215 H216 2.076(9) . . ? C216 H215 2.067(7) . . ? C221 C223 2.410(9) . . ? C221 C224 2.775(10) . . ? C221 C225 2.402(9) . . ? C221 C231 2.870(8) . . ? C221 H222 2.061(5) . . ? C221 H226 2.051(5) . . ? C222 C224 2.378(10) . . ? C222 C225 2.735(8) . . ? C222 C226 2.366(8) . . ? C222 H223 2.051(7) . . ? C223 C225 2.359(9) . . ? C223 C226 2.737(9) . . ? C223 H222 2.063(7) . . ? C223 H224 2.025(7) . . ? C224 C226 2.371(10) . . ? C224 H223 2.043(7) . . ? C224 H225 2.034(7) . . ? C225 H224 2.037(8) . . ? C225 H226 2.053(8) . . ? C226 H225 2.060(6) . . ? C231 C233 2.415(9) . . ? C231 C234 2.758(8) . . ? C231 C235 2.399(9) . . ? C231 H232 2.091(7) . . ? C231 H236 2.049(7) . . ? C232 C234 2.387(10) . . ? C232 C235 2.768(12) . . ? C232 C236 2.407(12) . . ? C232 H233 2.069(7) . . ? C233 C235 2.368(13) . . ? C233 C236 2.771(12) . . ? C233 H232 2.094(7) . . ? C233 H234 2.004(8) . . ? C234 C236 2.396(10) . . ? C234 H233 2.048(10) . . ? C234 H235 2.018(10) . . ? C235 H234 2.038(8) . . ? C235 H236 2.090(7) . . ? C236 H235 2.083(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 99.6(2) . . . ? N1 Ag1 P1 116.88(16) . . . ? N1 Ag1 P2 103.49(14) . . . ? N2 Ag1 P1 101.08(15) . . . ? N2 Ag1 P2 109.73(16) . . . ? P1 Ag1 P2 123.45(6) . . . ? C1 Ag2 C2 170.7(3) . . 4_554 ? Ag2 C1 N1 176.3(6) . . . ? Ag1 N1 C1 172.3(5) . . . ? N2 C2 Ag2 170.3(6) . . 4 ? Ag1 N2 C2 128.6(6) . . . ? Ag1 P1 C111 115.3(2) . . . ? Ag1 P1 C121 113.85(18) . . . ? Ag1 P1 C131 113.3(2) . . . ? C111 P1 C121 104.3(3) . . . ? C111 P1 C131 105.1(3) . . . ? C121 P1 C131 103.8(3) . . . ? P1 C111 C112 117.8(5) . . . ? P1 C111 C116 124.3(6) . . . ? C112 C111 C116 117.9(7) . . . ? C111 C112 C113 120.9(7) . . . ? C111 C112 H112 118.5(7) . . . ? C113 C112 H112 120.5(7) . . . ? C112 C113 C114 120.4(8) . . . ? C112 C113 H113 120.5(8) . . . ? C114 C113 H113 119.1(8) . . . ? C113 C114 C115 120.0(8) . . . ? C113 C114 H114 121.0(9) . . . ? C115 C114 H114 119.0(8) . . . ? C114 C115 C116 119.1(7) . . . ? C114 C115 H115 122.0(8) . . . ? C116 C115 H115 118.9(8) . . . ? C111 C116 C115 121.6(7) . . . ? C111 C116 H116 119.0(8) . . . ? C115 C116 H116 119.3(7) . . . ? P1 C121 C122 117.7(5) . . . ? P1 C121 C126 124.8(4) . . . ? C122 C121 C126 117.5(5) . . . ? C121 C122 C123 121.2(7) . . . ? C121 C122 H122 119.0(6) . . . ? C123 C122 H122 119.8(6) . . . ? C122 C123 C124 119.9(7) . . . ? C122 C123 H123 120.2(8) . . . ? C124 C123 H123 119.9(7) . . . ? C123 C124 C125 119.9(7) . . . ? C123 C124 H124 120.4(8) . . . ? C125 C124 H124 119.7(9) . . . ? C124 C125 C126 119.9(8) . . . ? C124 C125 H125 119.1(7) . . . ? C126 C125 H125 120.9(7) . . . ? C121 C126 C125 121.5(6) . . . ? C121 C126 H126 118.8(6) . . . ? C125 C126 H126 119.6(7) . . . ? P1 C131 C132 116.8(4) . . . ? P1 C131 C136 123.9(6) . . . ? C132 C131 C136 119.0(7) . . . ? C131 C132 C133 119.8(6) . . . ? C131 C132 H132 119.9(8) . . . ? C133 C132 H132 120.3(8) . . . ? C132 C133 C134 119.1(9) . . . ? C132 C133 H133 120.6(7) . . . ? C134 C133 H133 120.3(9) . . . ? C133 C134 C135 120.5(8) . . . ? C133 C134 H134 119.9(10) . . . ? C135 C134 H134 119.6(7) . . . ? C134 C135 C136 119.5(6) . . . ? C134 C135 H135 120.7(8) . . . ? C136 C135 H135 119.8(9) . . . ? C131 C136 C135 121.9(8) . . . ? C131 C136 H136 118.8(7) . . . ? C135 C136 H136 119.3(6) . . . ? Ag1 P2 C211 116.87(16) . . . ? Ag1 P2 C221 115.6(2) . . . ? Ag1 P2 C231 112.2(2) . . . ? C211 P2 C221 102.1(3) . . . ? C211 P2 C231 104.9(3) . . . ? C221 P2 C231 103.8(2) . . . ? P2 C211 C212 123.4(5) . . . ? P2 C211 C216 116.8(5) . . . ? C212 C211 C216 119.8(7) . . . ? C211 C212 C213 121.1(6) . . . ? C211 C212 H212 118.9(8) . . . ? C213 C212 H212 120.0(7) . . . ? C212 C213 C214 118.8(7) . . . ? C212 C213 H213 121.2(7) . . . ? C214 C213 H213 120.0(9) . . . ? C213 C214 C215 121.6(8) . . . ? C213 C214 H214 119.6(7) . . . ? C215 C214 H214 118.8(6) . . . ? C214 C215 C216 119.7(6) . . . ? C214 C215 H215 120.2(8) . . . ? C216 C215 H215 120.1(7) . . . ? C211 C216 C215 118.9(6) . . . ? C211 C216 H216 120.3(7) . . . ? C215 C216 H216 120.8(6) . . . ? P2 C221 C222 117.4(4) . . . ? P2 C221 C226 125.0(5) . . . ? C222 C221 C226 117.6(6) . . . ? C221 C222 C223 120.9(5) . . . ? C221 C222 H222 119.3(6) . . . ? C223 C222 H222 119.8(6) . . . ? C222 C223 C224 119.8(6) . . . ? C222 C223 H223 119.7(6) . . . ? C224 C223 H223 120.5(7) . . . ? C223 C224 C225 120.2(7) . . . ? C223 C224 H224 118.8(7) . . . ? C225 C224 H224 121.0(7) . . . ? C224 C225 C226 120.3(6) . . . ? C224 C225 H225 119.6(7) . . . ? C226 C225 H225 120.1(7) . . . ? C221 C226 C225 121.1(6) . . . ? C221 C226 H226 119.3(6) . . . ? C225 C226 H226 119.6(6) . . . ? P2 C231 C232 115.7(5) . . . ? P2 C231 C236 124.1(5) . . . ? C232 C231 C236 120.2(5) . . . ? C231 C232 C233 118.8(7) . . . ? C231 C232 H232 120.2(6) . . . ? C233 C232 H232 121.0(8) . . . ? C232 C233 C234 120.1(8) . . . ? C232 C233 H233 119.0(8) . . . ? C234 C233 H233 120.9(7) . . . ? C233 C234 C235 121.5(6) . . . ? C233 C234 H234 117.6(9) . . . ? C235 C234 H234 120.9(9) . . . ? C234 C235 C236 120.0(8) . . . ? C234 C235 H235 119.0(7) . . . ? C236 C235 H235 120.9(8) . . . ? C231 C236 C235 119.3(7) . . . ? C231 C236 H236 120.0(6) . . . ? C235 C236 H236 120.7(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 12 _reflns_limit_k_min 0 _reflns_limit_k_max 28 _reflns_limit_l_min -24 _reflns_limit_l_max 24 _reflns_number_total 7988 #ActaC _reflns_number_observed 4438 #ActaC _reflns_observed_criterion refl_observed_if_F____>_.000_sigma(F___) _reflns_d_resolution_high .712 _reflns_d_resolution_low 13.157 loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 4.2088 #=END data_otpcnp _audit_creation_date 98-04-08 _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(o-tolyl)3:pyridine(2:1:1) #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum C33_H31_Ag2_P1_N4 #ActaC _chemical_formula_weight 730.35 #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #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 10.335(8) #ActaC _cell_length_b 19.823(4) #ActaC _cell_length_c 15.340(4) #ActaC _cell_angle_alpha 90.00000 #ActaC _cell_angle_beta 90.16(4) #ActaC _cell_angle_gamma 90.00000 #ActaC _cell_volume 3143(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 1.544 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 ? #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 ? #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 ? #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI ? #ActaC _diffrn_reflns_limit_h_min ? #ActaC _diffrn_reflns_limit_h_max ? #ActaC _diffrn_reflns_limit_k_min ? #ActaC _diffrn_reflns_limit_k_max ? #ActaC _diffrn_reflns_limit_l_min ? #ActaC _diffrn_reflns_limit_l_max ? #ActaC _diffrn_reflns_theta_min ? #ActaC _diffrn_reflns_theta_max ? #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 ? 0 132 .002 .002 Int_Tables_Vol_IV_Tables_2.2B_and_2.3.1 H ? 0 124 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 P ? 0 4 .09 .095 Int_Tables_Vol_IV_Tables_2.2B_and_2.3.1 N ? 0 16 .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 .32241(4) .40069(2) .71636(3) .0464(3) Uani ? ? Ag2 .50211(5) .14758(2) .77623(4) .0672(3) Uani ? ? C1 .4314(5) .3014(2) .7362(3) .064(3) Uani ? ? N1 .4617(6) .2477(3) .7507(4) .059(4) Uani ? ? C2 .5345(5) -.0104(2) .8085(3) .063(3) Uani ? ? N2 .5212(6) .0454(3) .7980(4) .060(4) Uani ? ? N11 .2725(5) .3833(2) .5668(3) .061(3) Uani ? ? C12 .2604(8) .4315(3) .5090(5) .082(5) Uani ? ? C13 .2296(9) .4200(4) .4218(5) .099(7) Uani ? ? C14 .2163(8) .3561(6) .3957(5) .097(7) Uani ? ? C15 .2321(9) .3059(4) .4535(6) .106(7) Uani ? ? C16 .2599(8) .3215(3) .5382(5) .090(6) Uani ? ? P .17259(13) .43826(6) .83004(9) .0362(8) Uani ? ? C111 -.0007(5) .4224(3) .8130(3) .039(3) Uani ? ? C112 -.0435(5) .3589(3) .7853(3) .047(3) Uani ? ? C1121 .0464(6) .3004(3) .7695(5) .072(5) Uani ? ? C113 -.1763(6) .3506(3) .7724(4) .057(4) Uani ? ? C114 -.2627(6) .4015(4) .7856(4) .064(4) Uani ? ? C115 -.2201(6) .4629(3) .8130(4) .061(4) Uani ? ? C116 -.0905(5) .4730(3) .8274(4) .050(4) Uani ? ? C121 .2031(5) .4038(2) .9394(3) .039(3) Uani ? ? C122 .3287(5) .3993(3) .9727(3) .045(3) Uani ? ? C1221 .4455(6) .4236(3) .9240(4) .065(4) Uani ? ? C123 .3451(6) .3728(3) 1.0561(4) .062(4) Uani ? ? C124 .2424(7) .3505(3) 1.1046(4) .063(4) Uani ? ? C125 .1195(6) .3542(3) 1.0720(4) .057(4) Uani ? ? C126 .1001(5) .3808(3) .9895(4) .049(4) Uani ? ? C131 .1854(5) .5295(2) .8454(3) .036(3) Uani ? ? C132 .1690(5) .5734(3) .7744(3) .043(3) Uani ? ? C1321 .1298(6) .5489(3) .6847(4) .062(4) Uani ? ? C133 .1938(6) .6417(3) .7867(4) .058(4) Uani ? ? C134 .2298(6) .6674(3) .8670(5) .061(4) Uani ? ? C135 .2421(6) .6249(3) .9358(4) .057(4) Uani ? ? C136 .2192(5) .5565(3) .9258(3) .044(3) Uani ? ? N21 -.3797(12) .3194(10) .4839(12) .190(13) Uani ? ? C22 -.330(3) .3685(11) .5424(11) .176(17) Uani ? ? C23 -.208(3) .3736(9) .5525(9) .157(14) Uani ? ? C24 -.1302(12) .3318(12) .5082(15) .144(13) Uani ? ? C25 -.176(2) .2883(7) .4546(9) .114(11) Uani ? ? C26 -.290(2) .2818(6) .4433(7) .116(9) Uani ? ? H12 .27312 .47679 .52754 .10190 Uiso ? ? H13 .21793 .45624 .38234 .12330 Uiso ? ? H14 .19566 .34619 .33678 .12060 Uiso ? ? H15 .22532 .26014 .43593 .13330 Uiso ? ? H16 .26984 .28564 .57866 .11270 Uiso ? ? H1121a .12583 .30803 .79948 .10590 Uiso ? ? H1121b .00753 .26037 .79095 .10590 Uiso ? ? H1121c .06210 .29635 .70912 .10590 Uiso ? ? H113 -.20778 .30788 .75368 .07050 Uiso ? ? H114 -.35246 .39412 .77564 .07920 Uiso ? ? H115 -.28001 .49857 .82247 .07580 Uiso ? ? H116 -.06175 .51599 .84744 .06280 Uiso ? ? H1221a .51805 .42350 .96228 .09560 Uiso ? ? H1221b .46189 .39431 .87625 .09560 Uiso ? ? H1221c .43072 .46796 .90316 .09560 Uiso ? ? H123 .42991 .36985 1.07997 .07700 Uiso ? ? H124 .25676 .33247 1.16130 .07870 Uiso ? ? H125 .04808 .33875 1.10562 .07120 Uiso ? ? H126 .01443 .38318 .96640 .06150 Uiso ? ? H1321a .04588 .56477 .67110 .09470 Uiso ? ? H1321b .18994 .56564 .64322 .09470 Uiso ? ? H1321c .13083 .50108 .68411 .09470 Uiso ? ? H133 .18577 .67170 .73844 .07270 Uiso ? ? H134 .24568 .71437 .87370 .07680 Uiso ? ? H135 .26664 .64222 .99129 .07180 Uiso ? ? H136 .22678 .52733 .97502 .05530 Uiso ? ? H22 -.38586 .39732 .57365 .22430 Uiso ? ? H23 -.17104 .40598 .59052 .19770 Uiso ? ? H24 -.03901 .33339 .51596 .18070 Uiso ? ? H25 -.11933 .26005 .42223 .14280 Uiso ? ? H26 -.31997 .24833 .40314 .14510 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 .0525(3) .0355(2) .0511(3) .0016(2) .00206(19) -.0038(2) Ag2 .0711(4) .0375(3) .0928(4) .0113(2) -.0152(3) -.0002(3) C1 .068(4) .040(3) .085(4) .012(3) -.009(3) -.000(3) N1 .061(4) .043(3) .074(4) .006(3) -.013(3) -.004(3) C2 .063(4) .040(3) .087(4) .011(3) -.003(3) -.001(3) N2 .052(4) .048(4) .080(5) .008(3) -.006(3) -.003(3) N11 .086(4) .048(3) .050(3) -.002(3) -.002(3) -.007(3) C12 .116(6) .063(5) .067(5) .005(4) .009(4) -.004(4) C13 .142(8) .103(7) .051(5) .016(6) .003(5) .005(4) C14 .096(6) .146(9) .047(5) -.011(6) -.001(4) -.025(6) C15 .155(9) .089(6) .075(6) -.029(6) -.013(6) -.033(5) C16 .151(8) .055(4) .065(5) -.024(5) -.008(5) -.005(4) P .0389(8) .0315(7) .0383(8) .0012(6) -.0043(6) .0002(6) C111 .039(3) .042(3) .037(3) .001(2) -.007(2) .003(2) C112 .048(4) .046(3) .048(3) -.005(3) -.007(3) .006(3) C1121 .068(5) .044(4) .103(6) -.003(3) -.015(4) -.007(4) C113 .050(4) .059(4) .061(4) -.015(3) -.006(3) -.003(3) C114 .041(3) .087(5) .063(4) -.001(4) -.007(3) -.008(4) C115 .045(4) .068(4) .069(4) .014(3) .002(3) -.006(3) C116 .039(3) .050(3) .062(4) .002(3) -.005(3) -.003(3) C121 .041(3) .032(3) .044(3) .002(3) -.002(2) .001(2) C122 .046(3) .049(3) .040(3) .009(3) -.006(3) -.004(3) C1221 .046(4) .087(5) .061(4) -.001(3) -.015(3) .001(3) C123 .062(4) .072(4) .052(4) .018(3) -.009(3) .004(3) C124 .084(5) .064(4) .042(4) .018(4) -.005(4) .006(3) C125 .067(4) .060(4) .045(4) .013(3) .014(3) .011(3) C126 .046(4) .049(3) .052(4) .008(3) .004(3) .006(3) C131 .034(3) .032(3) .041(3) .004(2) -.002(2) -.002(2) C132 .042(3) .041(3) .046(3) .007(3) .005(3) .008(3) C1321 .082(5) .056(4) .049(4) .019(3) -.009(3) .008(3) C133 .064(4) .043(3) .067(4) .010(3) .016(3) .018(3) C134 .064(4) .038(3) .083(5) -.001(3) .006(4) -.009(3) C135 .065(4) .050(4) .057(4) .003(3) -.010(3) -.011(3) C136 .050(3) .037(3) .046(3) .004(3) -.008(3) -.001(3) N21 .149(10) .243(16) .178(13) .053(11) -.006(10) .053(10) C22 .28(3) .157(16) .092(11) .114(18) .048(15) .009(9) C23 .27(2) .126(12) .072(8) -.039(16) -.000(14) .023(8) C24 .113(9) .181(16) .139(14) -.001(11) .025(10) .086(10) C25 .146(13) .104(9) .092(9) .051(10) .043(9) .029(7) C26 .165(12) .109(9) .075(7) .019(10) -.004(9) .020(6) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details ? _refine_ls_structure_factor_coef ? #ActaC _refine_ls_matrix_type ? #ActaC _refine_ls_weighting_scheme ? #ActaC _refine_ls_hydrogen_treatment ? #ActaC _refine_ls_extinction_method ? #ActaC _refine_ls_extinction_coef ? #ActaC _refine_ls_extinction_expression ? _refine_ls_abs_structure_details ? #ActaC _refine_ls_abs_structure_Flack ? #ActaC _refine_ls_number_reflns ? #ActaC _refine_ls_number_parameters ? #ActaC _refine_ls_number_restraints ? #ActaC _refine_ls_number_constraints ? #ActaC _refine_ls_R_factor_all ? #ActaC _refine_ls_R_factor_obs ? #ActaC _refine_ls_wR_factor_all ? #ActaC _refine_ls_wR_factor_obs ? #ActaC _refine_ls_goodness_of_fit_all ? #ActaC _refine_ls_goodness_of_fit_obs ? #ActaC _refine_ls_shift/esd_max ? #ActaC _refine_ls_shift/esd_mean ? #ActaC _refine_diff_density_min ? #ActaC _refine_diff_density_max ? #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 C1 2.288(5) . . ? Ag1 N11 2.375(5) . . ? Ag1 P 2.4512(16) . . ? Ag1 C2 2.333(5) . 2_656 ? Ag2 N1 2.065(6) . . ? Ag2 N2 2.063(6) . . ? C1 N1 1.132(8) . . ? C2 N2 1.125(8) . . ? N11 C12 1.309(9) . . ? N11 C16 1.308(8) . . ? C12 C13 1.393(11) . . ? C12 H12 .950(7) . . ? C13 C14 1.336(14) . . ? C13 H13 .947(8) . . ? C14 C15 1.343(13) . . ? C14 H14 .948(7) . . ? C15 C16 1.366(11) . . ? C15 H15 .948(9) . . ? C16 H16 .949(7) . . ? P C111 1.836(5) . . ? P C121 1.838(5) . . ? P C131 1.828(5) . . ? C111 C112 1.400(7) . . ? C111 C116 1.385(7) . . ? C112 C1121 1.507(8) . . ? C112 C113 1.396(8) . . ? C1121 H1121a .952(7) . . ? C1121 H1121b .948(6) . . ? C1121 H1121c .944(7) . . ? C113 C114 1.363(9) . . ? C113 H113 .951(6) . . ? C114 C115 1.360(9) . . ? C114 H114 .952(6) . . ? C115 C116 1.371(8) . . ? C115 H115 .952(6) . . ? C116 H116 .953(5) . . ? C121 C122 1.396(7) . . ? C121 C126 1.391(7) . . ? C122 C1221 1.501(8) . . ? C122 C123 1.393(8) . . ? C1221 H1221a .951(6) . . ? C1221 H1221b .950(6) . . ? C1221 H1221c .948(6) . . ? C123 C124 1.371(9) . . ? C123 H123 .951(6) . . ? C124 C125 1.366(9) . . ? C124 H124 .951(6) . . ? C125 C126 1.386(8) . . ? C125 H125 .952(6) . . ? C126 H126 .954(6) . . ? C131 C132 1.404(7) . . ? C131 C136 1.389(7) . . ? C132 C1321 1.513(8) . . ? C132 C133 1.392(7) . . ? C1321 H1321a .945(6) . . ? C1321 H1321b .951(6) . . ? C1321 H1321c .948(6) . . ? C133 C134 1.383(9) . . ? C133 H133 .953(6) . . ? C134 C135 1.356(9) . . ? C134 H134 .951(6) . . ? C135 C136 1.386(8) . . ? C135 H135 .952(6) . . ? C136 H136 .953(5) . . ? N21 C22 1.42(3) . . ? N21 C26 1.34(2) . . ? C22 C23 1.28(4) . . ? C22 H22 .94(2) . . ? C23 C24 1.34(3) . . ? C23 H23 .95(2) . . ? C24 C25 1.28(3) . . ? C24 H24 .951(13) . . ? C25 C26 1.19(3) . . ? C25 H25 .954(18) . . ? C26 H26 .957(13) . . ? 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 N1 3.398(6) . . ? Ag1 N2 3.300(6) . 2_656 ? Ag1 C12 3.301(7) . . ? Ag1 C16 3.215(7) . . ? Ag1 C111 3.682(6) . . ? Ag1 C112 4.016(6) . . ? Ag1 C1121 3.574(7) . . ? Ag1 C121 3.641(5) . . ? Ag1 C122 3.933(5) . . ? Ag1 C1221 3.456(6) . . ? Ag1 C131 3.529(5) . . ? Ag1 C132 3.877(5) . . ? Ag1 C1321 3.581(6) . . ? Ag1 H12 3.3040(8) . . ? Ag1 H16 3.1547(7) . . ? Ag1 H1121a 3.0235(12) . . ? Ag1 H1121c 3.3951(17) . . ? Ag1 H114 3.481(3) . 1_655 ? Ag1 H1221b 2.8443(9) . . ? Ag1 H1221c 3.3503(8) . . ? Ag1 H1321b 3.7170(8) . . ? Ag1 H1321c 2.8495(12) . . ? Ag1 H22 3.732(2) . 1_655 ? Ag2 C1 3.195(5) . . ? Ag2 C2 3.188(5) . . ? Ag2 C13 3.841(9) . 4 ? Ag2 C14 3.481(8) . 4 ? Ag2 C15 4.010(9) . 4 ? Ag2 C123 3.764(6) . 4_554 ? Ag2 C124 3.755(7) . 4_554 ? Ag2 C132 3.786(6) . 2_646 ? Ag2 C133 3.292(6) . 2_646 ? Ag2 C134 3.562(7) . 2_646 ? Ag2 N21 3.471(18) . 4_655 ? Ag2 C26 3.622(17) . 4_655 ? Ag2 H14 3.305(2) . 4 ? Ag2 H123 3.1189(10) . 4_554 ? Ag2 H124 3.1096(17) . 4_554 ? Ag2 H1321b 3.778(2) . 2_646 ? Ag2 H133 3.269(3) . 2_646 ? Ag2 H134 3.7243(16) . 2_646 ? Ag2 H26 3.3777(10) . 4_655 ? C1 H1221b 2.847(5) . . ? N11 C13 2.381(9) . . ? N11 C14 2.740(9) . . ? N11 C15 2.356(10) . . ? N11 H12 1.948(5) . . ? N11 H16 1.945(5) . . ? C12 C14 2.337(11) . . ? C12 C15 2.649(11) . . ? C12 C16 2.226(10) . . ? C12 H13 2.050(7) . . ? C13 C15 2.315(12) . . ? C13 C16 2.664(11) . . ? C13 H12 2.024(8) . . ? C13 H14 1.991(8) . . ? C14 C16 2.334(10) . . ? C14 H13 1.996(11) . . ? C14 H15 2.002(11) . . ? C15 H14 1.996(9) . . ? C15 H16 1.999(9) . . ? C16 H15 2.017(7) . . ? P C112 2.814(6) . . ? P C1121 3.167(6) . . ? P C116 2.806(6) . . ? P C122 2.823(5) . . ? P C1221 3.177(6) . . ? P C126 2.802(6) . . ? P C132 2.811(5) . . ? P C1321 3.157(6) . . ? P C136 2.807(5) . . ? P H1121a 2.6677(13) . . ? P H116 2.884(2) . . ? P H1221b 3.192(3) . . ? P H1221c 2.950(2) . . ? P H126 2.8738(16) . . ? P H1321c 2.5967(14) . . ? P H136 2.8931(14) . . ? C111 C1121 2.557(8) . . ? C111 C113 2.388(8) . . ? C111 C114 2.770(8) . . ? C111 C115 2.405(8) . . ? C111 C121 2.883(7) . . ? C111 C126 3.014(7) . . ? C111 C131 2.906(7) . . ? C111 H1121a 2.626(5) . . ? C111 H116 2.029(5) . . ? C111 H126 2.483(5) . . ? C111 H1321c 2.864(5) . . ? C112 C114 2.417(8) . . ? C112 C115 2.786(8) . . ? C112 C116 2.402(8) . . ? C112 H1121a 2.031(6) . . ? C112 H1121b 2.025(5) . . ? C112 H1121c 2.025(5) . . ? C112 H113 2.034(6) . . ? C112 H126 2.880(5) . . ? C1121 C113 2.508(9) . . ? C1121 H113 2.641(7) . . ? C113 C115 2.355(9) . . ? C113 C116 2.717(8) . . ? C113 H1121b 2.624(6) . . ? C113 H1121c 2.861(6) . . ? C113 H114 2.015(6) . . ? C114 C116 2.362(8) . . ? C114 H113 2.002(7) . . ? C114 H115 2.014(7) . . ? C115 H114 2.013(6) . . ? C115 H116 2.015(6) . . ? C116 C131 3.076(8) . . ? C116 H115 2.024(6) . . ? C121 C1221 2.547(8) . . ? C121 C123 2.392(8) . . ? C121 C124 2.774(8) . . ? C121 C125 2.421(8) . . ? C121 C131 2.884(7) . . ? C121 C136 3.038(7) . . ? C121 H1221b 2.853(5) . . ? C121 H1221c 2.733(5) . . ? C121 H126 2.036(5) . . ? C121 H136 2.521(5) . . ? C122 C124 2.416(8) . . ? C122 C125 2.795(8) . . ? C122 C126 2.405(8) . . ? C122 H1221a 2.022(6) . . ? C122 H1221b 2.027(5) . . ? C122 H1221c 2.027(5) . . ? C122 H123 2.033(5) . . ? C122 H136 2.748(5) . . ? C1221 C123 2.493(9) . . ? C1221 H123 2.625(6) . . ? C123 C125 2.374(9) . . ? C123 C126 2.732(9) . . ? C123 H1221a 2.509(6) . . ? C123 H124 2.021(6) . . ? C124 C126 2.372(8) . . ? C124 H16 2.742(6) . 4 ? C124 H123 2.013(7) . . ? C124 H125 2.021(7) . . ? C125 H124 2.016(6) . . ? C125 H126 2.031(6) . . ? C126 H125 2.040(5) . . ? C131 C1321 2.559(8) . . ? C131 C133 2.402(7) . . ? C131 C134 2.792(7) . . ? C131 C135 2.417(8) . . ? C131 H116 2.569(5) . . ? C131 H1321c 2.598(5) . . ? C131 H136 2.033(5) . . ? C132 C134 2.425(8) . . ? C132 C135 2.780(8) . . ? C132 C136 2.402(7) . . ? C132 H116 2.872(5) . . ? C132 H1321a 2.037(5) . . ? C132 H1321b 2.031(5) . . ? C132 H1321c 2.031(5) . . ? C132 H133 2.034(5) . . ? C1321 C133 2.502(8) . . ? C1321 H133 2.634(6) . . ? C133 C135 2.364(9) . . ? C133 C136 2.735(8) . . ? C133 H1321a 2.791(6) . . ? C133 H1321b 2.668(6) . . ? C133 H134 2.035(6) . . ? C134 C136 2.380(8) . . ? C134 H133 2.024(7) . . ? C134 H135 2.007(7) . . ? C135 H134 2.013(6) . . ? C135 H136 2.032(6) . . ? C136 H1221c 2.825(5) . . ? C136 H135 2.034(5) . . ? N21 C23 2.33(3) . . ? N21 C24 2.615(18) . . ? N21 C25 2.24(2) . . ? N21 H22 2.07(2) . . ? N21 H26 1.975(19) . . ? C22 C24 2.25(3) . . ? C22 C25 2.62(3) . . ? C22 C26 2.33(2) . . ? C22 H23 1.95(3) . . ? C23 C25 2.28(2) . . ? C23 C26 2.61(2) . . ? C23 H22 1.93(3) . . ? C23 H24 2.00(3) . . ? C24 C26 2.16(3) . . ? C24 H23 1.98(2) . . ? C24 H25 1.94(2) . . ? C25 H24 1.922(19) . . ? C25 H26 1.86(2) . . ? C26 H25 1.84(2) . . ? H12 H13 2.3335(6) . . ? H13 H14 2.3021(4) . . ? H14 H15 2.3053(4) . . ? H15 H16 2.2925(5) . . ? H1121a H1121b 1.5504(8) . . ? H1121a H1121c 1.5504(4) . . ? H1121b H1121c 1.5513(3) . . ? H1121b H113 2.4816(15) . . ? H1121b H25 2.4399(7) . 4 ? H113 H114 2.2967(8) . . ? H114 H115 2.3153(4) . . ? H114 H1221b 2.4657(12) . 1_455 ? H115 H116 2.3129(17) . . ? H1221a H1221b 1.5521(3) . . ? H1221a H1221c 1.5522(4) . . ? H1221a H123 2.2868(5) . . ? H1221b H1221c 1.5513(3) . . ? H123 H124 2.3066(11) . . ? H124 H125 2.3208(16) . . ? H125 H126 2.3353(5) . . ? H1321a H1321b 1.5503(11) . . ? H1321a H1321c 1.5504(4) . . ? H1321b H1321c 1.5513(3) . . ? H1321b H133 2.5605(4) . . ? H133 H134 2.3231(5) . . ? H134 H135 2.3117(4) . . ? H135 H136 2.3277(5) . . ? H22 H23 2.2411(17) . . ? H23 H24 2.2912(7) . . ? H24 H25 2.2053(4) . . ? H25 H26 2.1062(16) . . ? 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 C1 Ag1 N11 96.29(18) . . . ? C1 Ag1 P 118.58(14) . . . ? C1 Ag1 C2 111.10(18) . . 2_656 ? N11 Ag1 P 126.52(14) . . . ? N11 Ag1 C2 95.05(18) . . 2_656 ? P Ag1 C2 106.77(13) . . 2_656 ? N1 Ag2 N2 173.6(2) . . . ? Ag1 C1 N1 166.3(5) . . . ? Ag2 N1 C1 175.6(5) . . . ? N2 C2 Ag1 142.8(5) . . 2_646 ? Ag2 N2 C2 178.1(6) . . . ? Ag1 N11 C12 124.7(4) . . . ? Ag1 N11 C16 118.7(4) . . . ? C12 N11 C16 116.6(6) . . . ? N11 C12 C13 123.5(7) . . . ? N11 C12 H12 118.2(7) . . . ? C13 C12 H12 118.3(7) . . . ? C12 C13 C14 117.8(7) . . . ? C12 C13 H13 121.2(8) . . . ? C14 C13 H13 121.0(8) . . . ? C13 C14 C15 119.5(7) . . . ? C13 C14 H14 120.3(9) . . . ? C15 C14 H14 120.1(10) . . . ? C14 C15 C16 119.0(8) . . . ? C14 C15 H15 120.8(9) . . . ? C16 C15 H15 120.2(8) . . . ? N11 C16 C15 123.5(7) . . . ? N11 C16 H16 118.2(7) . . . ? C15 C16 H16 118.3(7) . . . ? Ag1 P C111 117.67(17) . . . ? Ag1 P C121 115.42(17) . . . ? Ag1 P C131 110.27(16) . . . ? C111 P C121 103.4(2) . . . ? C111 P C131 104.9(2) . . . ? C121 P C131 103.7(2) . . . ? P C111 C112 120.3(4) . . . ? P C111 C116 120.5(4) . . . ? C112 C111 C116 119.2(5) . . . ? C111 C112 C1121 123.2(5) . . . ? C111 C112 C113 117.3(5) . . . ? C1121 C112 C113 119.5(5) . . . ? C112 C1121 H1121a 109.3(5) . . . ? C112 C1121 H1121b 109.1(6) . . . ? C112 C1121 H1121c 109.3(6) . . . ? H1121a C1121 H1121b 109.3(6) . . . ? H1121a C1121 H1121c 109.7(7) . . . ? H1121b C1121 H1121c 110.2(6) . . . ? C112 C113 C114 122.4(6) . . . ? C112 C113 H113 118.9(6) . . . ? C114 C113 H113 118.7(6) . . . ? C113 C114 C115 119.8(6) . . . ? C113 C114 H114 120.1(7) . . . ? C115 C114 H114 120.1(7) . . . ? C114 C115 C116 119.7(6) . . . ? C114 C115 H115 120.1(6) . . . ? C116 C115 H115 120.1(6) . . . ? C111 C116 C115 121.5(5) . . . ? C111 C116 H116 119.3(5) . . . ? C115 C116 H116 119.1(5) . . . ? P C121 C122 121.0(4) . . . ? P C121 C126 119.7(4) . . . ? C122 C121 C126 119.3(5) . . . ? C121 C122 C1221 123.0(5) . . . ? C121 C122 C123 118.1(5) . . . ? C1221 C122 C123 118.8(5) . . . ? C122 C1221 H1221a 109.0(5) . . . ? C122 C1221 H1221b 109.5(5) . . . ? C122 C1221 H1221c 109.6(5) . . . ? H1221a C1221 H1221b 109.5(6) . . . ? H1221a C1221 H1221c 109.6(6) . . . ? H1221b C1221 H1221c 109.7(6) . . . ? C122 C123 C124 121.8(6) . . . ? C122 C123 H123 119.1(6) . . . ? C124 C123 H123 119.1(6) . . . ? C123 C124 C125 120.3(6) . . . ? C123 C124 H124 119.8(7) . . . ? C125 C124 H124 119.8(7) . . . ? C124 C125 C126 119.1(6) . . . ? C124 C125 H125 120.4(6) . . . ? C126 C125 H125 120.5(6) . . . ? C121 C126 C125 121.4(5) . . . ? C121 C126 H126 119.3(5) . . . ? C125 C126 H126 119.3(5) . . . ? P C131 C132 120.3(4) . . . ? P C131 C136 120.9(4) . . . ? C132 C131 C136 118.7(4) . . . ? C131 C132 C1321 122.6(5) . . . ? C131 C132 C133 118.5(5) . . . ? C1321 C132 C133 118.9(5) . . . ? C132 C1321 H1321a 109.8(5) . . . ? C132 C1321 H1321b 108.8(5) . . . ? C132 C1321 H1321c 109.1(5) . . . ? H1321a C1321 H1321b 109.7(6) . . . ? H1321a C1321 H1321c 110.0(6) . . . ? H1321b C1321 H1321c 109.5(6) . . . ? C132 C133 C134 121.9(5) . . . ? C132 C133 H133 119.2(6) . . . ? C134 C133 H133 119.0(5) . . . ? C133 C134 C135 119.3(5) . . . ? C133 C134 H134 120.2(6) . . . ? C135 C134 H134 120.5(7) . . . ? C134 C135 C136 120.5(6) . . . ? C134 C135 H135 119.8(6) . . . ? C136 C135 H135 119.8(6) . . . ? C131 C136 C135 121.2(5) . . . ? C131 C136 H136 119.3(5) . . . ? C135 C136 H136 119.5(5) . . . ? C22 N21 C26 115.2(17) . . . ? N21 C22 C23 119(2) . . . ? N21 C22 H22 121(3) . . . ? C23 C22 H22 120(2) . . . ? C22 C23 C24 118.8(19) . . . ? C22 C23 H23 121(2) . . . ? C24 C23 H23 120(3) . . . ? C23 C24 C25 121.4(18) . . . ? C23 C24 H24 121(2) . . . ? C25 C24 H24 118(2) . . . ? C24 C25 C26 122.0(17) . . . ? C24 C25 H25 120(2) . . . ? C26 C25 H25 118.1(16) . . . ? N21 C26 C25 123.6(14) . . . ? N21 C26 H26 117(2) . . . ? C25 C26 H26 119.1(19) . . . ? 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 ? _reflns_limit_h_max ? _reflns_limit_k_min ? _reflns_limit_k_max ? _reflns_limit_l_min ? _reflns_limit_l_max ? _reflns_number_total ? #ActaC _reflns_number_observed ? #ActaC _reflns_observed_criterion refl_observed_if_F____>_***__sigma(F___) _reflns_d_resolution_high ? _reflns_d_resolution_low ? loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 3.2219 #=END data_cntmpp _audit_creation_date 98-04-08 _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(2,4,6,(MeO)3C6H2)3:pyridine(1:1:0.5) ; _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum C31_H36_Ag1_N2_O9_P1 #ActaC _chemical_formula_weight 705.96 #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #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 19.229(6) #ActaC _cell_length_b 22.672(3) #ActaC _cell_length_c 16.080(10) #ActaC _cell_angle_alpha 90.00000 #ActaC _cell_angle_beta 115.47(4) #ActaC _cell_angle_gamma 90.00000 #ActaC _cell_volume 6329(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 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 ? #ActaC _exptl_crystal_size_mid ? #ActaC _exptl_crystal_size_min ? #ActaC _exptl_crystal_density_diffrn 1.482 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 ? #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 ? #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 ? #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI ? #ActaC _diffrn_reflns_limit_h_min ? #ActaC _diffrn_reflns_limit_h_max ? #ActaC _diffrn_reflns_limit_k_min ? #ActaC _diffrn_reflns_limit_k_max ? #ActaC _diffrn_reflns_limit_l_min ? #ActaC _diffrn_reflns_limit_l_max ? #ActaC _diffrn_reflns_theta_min ? #ActaC _diffrn_reflns_theta_max ? #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 ? 0 244 .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 8 -1.085 1.101 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 72 .008 .006 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 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 1.00000 .58105(3) .75000 .0404(4) Uani ? ? P .87007(8) .57861(8) .73700(11) .0367(8) Uani ? ? C11 .8653(3) .6119(3) .8369(4) .034(3) Uani ? ? C12 .9130(3) .6595(3) .8781(4) .040(3) Uani ? ? O12 .9557(2) .67954(19) .8343(3) .056(3) Uani ? ? C121 1.0167(4) .7205(3) .8787(5) .074(5) Uani ? ? C13 .9156(3) .6875(3) .9562(4) .047(4) Uani ? ? C14 .8684(4) .6669(3) .9935(4) .052(4) Uani ? ? O14 .8661(3) .6890(2) 1.0708(3) .081(3) Uani ? ? C141 .9160(5) .7364(4) 1.1182(5) .104(7) Uani ? ? C15 .8191(4) .6207(3) .9550(5) .052(4) Uani ? ? C16 .8163(3) .5937(3) .8769(4) .042(4) Uani ? ? O16 .7686(3) .5477(2) .8352(3) .063(3) Uani ? ? C161 .7151(5) .5293(4) .8702(6) .093(6) Uani ? ? C21 .8384(3) .5025(3) .7270(4) .035(3) Uani ? ? C22 .8929(3) .4590(3) .7776(4) .039(3) Uani ? ? O22 .9632(2) .48092(18) .8356(3) .051(2) Uani ? ? C221 1.0248(4) .4404(3) .8787(5) .055(4) Uani ? ? C23 .8754(3) .3998(3) .7687(4) .045(4) Uani ? ? C24 .8025(4) .3815(3) .7084(4) .049(4) Uani ? ? O24 .7912(3) .32198(19) .7053(3) .064(3) Uani ? ? C241 .7247(5) .2985(3) .6314(6) .083(5) Uani ? ? C25 .7462(3) .4218(3) .6584(4) .050(4) Uani ? ? C26 .7634(3) .4817(3) .6685(4) .048(4) Uani ? ? O26 .7102(2) .5236(2) .6264(3) .070(3) Uani ? ? C261 .6345(4) .5099(4) .5705(7) .124(7) Uani ? ? C31 .8047(3) .6171(3) .6344(4) .036(3) Uani ? ? C32 .8172(3) .6119(3) .5558(4) .044(4) Uani ? ? O32 .8765(2) .5755(2) .5641(3) .056(3) Uani ? ? C321 .8999(4) .5729(3) .4924(5) .068(5) Uani ? ? C33 .7727(4) .6404(3) .4735(4) .049(4) Uani ? ? C34 .7117(4) .6749(3) .4696(5) .055(4) Uani ? ? O34 .6634(3) .7055(2) .3929(3) .076(3) Uani ? ? C341 .6784(5) .7035(4) .3140(5) .094(6) Uani ? ? C35 .6951(4) .6801(3) .5443(5) .055(4) Uani ? ? C36 .7405(3) .6517(3) .6246(4) .045(4) Uani ? ? O36 .7272(2) .6554(2) .7007(3) .060(3) Uani ? ? C361 .6561(4) .6787(4) .6930(6) .078(5) Uani ? ? Ag2 .4999(5) .60899(7) .7413(8) .1679(18) Uani ? ? C .4695(5) .6179(4) .6130(8) .139(8) Uani ? ? N .4508(5) .6242(5) .5277(8) .217(9) Uani ? ? N1 .50000 .4902(6) .75000 .153(10) Uani ? ? C2 .4884(8) .4548(7) .6730(7) .217(12) Uani ? ? C3 .5024(9) .4052(5) .6755(10) .201(13) Uani ? ? C4 .50000 .3773(8) .75000 .184(16) Uani ? ? H121a 1.05157 .70454 .93559 .11010 Uiso ? ? H121b 1.04162 .72852 .84065 .11010 Uiso ? ? H121c .99544 .75645 .88950 .11010 Uiso ? ? H13 .94931 .71948 .98351 .05390 Uiso ? ? H141a .96816 .72301 1.13604 .17110 Uiso ? ? H141b .90538 .76875 1.08039 .17110 Uiso ? ? H141c .90964 .74410 1.17245 .17110 Uiso ? ? H15 .78701 .60744 .98213 .06890 Uiso ? ? H161a .67573 .55567 .85512 .16850 Uiso ? ? H161b .69197 .49112 .83650 .16850 Uiso ? ? H161c .74024 .51968 .93182 .16850 Uiso ? ? H221a 1.01734 .41942 .92580 .07680 Uiso ? ? H221b 1.02560 .41312 .83441 .07680 Uiso ? ? H221c 1.07204 .46112 .90534 .07680 Uiso ? ? H23 .91282 .37231 .80523 .05650 Uiso ? ? H241a .72788 .30437 .57430 .11470 Uiso ? ? H241b .72220 .25696 .64050 .11470 Uiso ? ? H241c .68013 .31688 .62922 .11470 Uiso ? ? H25 .69679 .40923 .61770 .06190 Uiso ? ? H261a .61308 .48779 .60584 .15190 Uiso ? ? H261b .60538 .54434 .54840 .15190 Uiso ? ? H261c .63161 .48566 .52115 .15190 Uiso ? ? H321a .94259 .54759 .50821 .10390 Uiso ? ? H321b .85795 .55828 .43790 .10390 Uiso ? ? H321c .91274 .61140 .48019 .10390 Uiso ? ? H33 .78327 .63668 .42180 .06330 Uiso ? ? H341a .73006 .71276 .32816 .13420 Uiso ? ? H341b .66764 .66431 .28801 .13420 Uiso ? ? H341c .64511 .73029 .26862 .13420 Uiso ? ? H35 .65290 .70302 .54050 .06740 Uiso ? ? H361a .65252 .67396 .74923 .12150 Uiso ? ? H361b .65617 .72102 .68118 .12150 Uiso ? ? H361c .61507 .66131 .64422 .12150 Uiso ? ? H2 .46908 .47455 .61504 .23900 Uiso ? ? H3 .51185 .38529 .62919 .26400 Uiso ? ? H4 .50000 .33478 .75000 .23400 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 .0281(4) .0497(5) .0431(4) .00000 .0151(3) .00000 P .0301(9) .0429(10) .0364(9) .0019(9) .0136(8) .0015(10) C11 .034(4) .037(4) .032(4) -.001(3) .014(3) .002(3) C12 .041(4) .044(4) .033(4) .006(3) .014(3) .006(3) O12 .059(3) .057(3) .055(3) -.019(2) .028(3) -.007(2) C121 .062(5) .062(6) .089(6) -.019(4) .025(5) .002(5) C13 .046(4) .044(4) .038(4) -.001(3) .004(3) -.007(3) C14 .064(5) .059(5) .034(4) .019(4) .021(4) .008(4) O14 .114(5) .084(4) .057(4) .008(3) .049(3) -.016(3) C141 .149(9) .111(8) .059(6) .004(7) .053(6) -.025(6) C15 .054(4) .061(5) .051(5) .009(4) .034(4) .009(4) C16 .037(4) .045(5) .043(4) .003(3) .017(3) .002(3) O16 .057(3) .070(4) .079(4) -.021(3) .046(3) -.013(3) C161 .091(6) .103(7) .122(8) -.024(6) .081(6) -.008(6) C21 .036(4) .042(4) .027(4) -.001(3) .014(3) -.003(3) C22 .034(4) .047(4) .033(4) -.002(3) .012(3) -.005(3) O22 .038(3) .047(3) .054(3) .003(2) .005(2) .007(2) C221 .041(4) .056(5) .059(5) .009(3) .014(4) .015(4) C23 .050(4) .045(4) .039(4) .007(3) .018(3) .011(3) C24 .063(5) .047(5) .043(4) -.014(4) .028(4) -.004(4) O24 .071(3) .047(3) .070(4) -.021(3) .025(3) -.007(3) C241 .080(6) .066(6) .088(7) -.025(5) .023(5) -.025(5) C25 .042(4) .054(4) .046(4) -.016(4) .010(3) -.011(4) C26 .036(4) .053(5) .053(5) -.004(3) .017(3) -.004(4) O26 .030(3) .054(3) .099(4) .000(2) .003(3) .003(3) C261 .041(5) .100(8) .170(10) -.003(5) -.012(6) -.009(7) C31 .036(4) .037(4) .031(4) .002(3) .010(3) .002(3) C32 .033(4) .054(4) .039(4) .007(3) .010(3) .006(3) O32 .057(3) .079(3) .040(3) .030(3) .027(2) .010(3) C321 .073(5) .083(6) .061(5) .019(5) .042(4) .005(5) C33 .057(4) .055(5) .036(4) .005(4) .021(4) -.002(4) C34 .051(5) .061(5) .045(4) .013(4) .012(4) .008(4) O34 .073(4) .097(4) .046(3) .032(3) .013(3) .021(3) C341 .107(7) .115(8) .051(5) .035(6) .026(5) .035(5) C35 .047(4) .066(5) .049(5) .028(4) .019(4) .010(4) C36 .043(4) .051(4) .044(4) .007(4) .022(3) -.002(4) O36 .046(3) .087(4) .050(3) .027(3) .025(2) .008(3) C361 .055(5) .108(7) .083(6) .022(5) .039(5) .002(5) Ag2 .0686(8) .0977(12) .314(4) .016(3) .060(2) .077(4) C .059(6) .103(8) .218(13) -.015(6) .024(7) -.072(8) N .081(7) .167(10) .297(14) .002(6) -.020(8) -.114(9) N1 .146(12) .139(12) .149(12) .00000 .039(10) .00000 C2 .225(14) .301(19) .052(7) .115(13) -.010(8) -.005(9) C3 .312(19) .110(11) .270(17) .079(11) .208(16) .037(10) C4 .25(2) .119(15) .20(2) .00000 .109(18) .00000 _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details ? _refine_ls_structure_factor_coef ? #ActaC _refine_ls_matrix_type ? #ActaC _refine_ls_weighting_scheme ? #ActaC _refine_ls_hydrogen_treatment ? #ActaC _refine_ls_extinction_method ? #ActaC _refine_ls_extinction_coef ? #ActaC _refine_ls_extinction_expression ? _refine_ls_abs_structure_details ? #ActaC _refine_ls_abs_structure_Flack ? #ActaC _refine_ls_number_reflns ? #ActaC _refine_ls_number_parameters ? #ActaC _refine_ls_number_restraints ? #ActaC _refine_ls_number_constraints ? #ActaC _refine_ls_R_factor_all ? #ActaC _refine_ls_R_factor_obs ? #ActaC _refine_ls_wR_factor_all ? #ActaC _refine_ls_wR_factor_obs ? #ActaC _refine_ls_goodness_of_fit_all ? #ActaC _refine_ls_goodness_of_fit_obs ? #ActaC _refine_ls_shift/esd_max ? #ActaC _refine_ls_shift/esd_mean ? #ActaC _refine_diff_density_min ? #ActaC _refine_diff_density_max ? #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 P 2.4165(18) . . ? Ag1 P 2.4165(18) . 2_756 ? P C11 1.813(7) . . ? P C21 1.814(6) . . ? P C31 1.811(5) . . ? C11 C12 1.387(8) . . ? C11 C16 1.411(10) . . ? C12 O12 1.369(9) . . ? C12 C13 1.389(10) . . ? O12 C121 1.424(8) . . ? C121 H121a .944(7) . . ? C121 H121b .943(10) . . ? C121 H121c .960(8) . . ? C13 C14 1.367(11) . . ? C13 H13 .946(6) . . ? C14 O14 1.357(10) . . ? C14 C15 1.371(9) . . ? O14 C141 1.425(10) . . ? C141 H141a .965(10) . . ? C141 H141b .918(9) . . ? C141 H141c .948(10) . . ? C15 C16 1.377(10) . . ? C15 H15 .944(8) . . ? C16 O16 1.360(7) . . ? O16 C161 1.431(13) . . ? C161 H161a .912(9) . . ? C161 H161b 1.017(8) . . ? C161 H161c .922(9) . . ? C21 C22 1.413(8) . . ? C21 C26 1.422(7) . . ? C22 O22 1.364(6) . . ? C22 C23 1.377(9) . . ? O22 C221 1.422(7) . . ? C221 H221a .955(8) . . ? C221 H221b .948(8) . . ? C221 H221c .947(6) . . ? C23 C24 1.382(8) . . ? C23 H23 .941(6) . . ? C24 O24 1.363(8) . . ? C24 C25 1.380(8) . . ? O24 C241 1.422(8) . . ? C241 H241a .956(10) . . ? C241 H241b .958(8) . . ? C241 H241c .940(9) . . ? C25 C26 1.392(9) . . ? C25 H25 .936(5) . . ? C26 O26 1.346(7) . . ? O26 C261 1.377(8) . . ? C261 H261a .974(12) . . ? C261 H261b .937(9) . . ? C261 H261c .947(11) . . ? C31 C32 1.389(10) . . ? C31 C36 1.415(9) . . ? C32 O32 1.366(8) . . ? C32 C33 1.389(8) . . ? O32 C321 1.407(10) . . ? C321 H321a .942(8) . . ? C321 H321b .959(6) . . ? C321 H321c .951(8) . . ? C33 C34 1.387(10) . . ? C33 H33 .941(8) . . ? C34 O34 1.371(7) . . ? C34 C35 1.374(12) . . ? O34 C341 1.417(11) . . ? C341 H341a .943(9) . . ? C341 H341b .966(9) . . ? C341 H341c .953(8) . . ? C35 C36 1.369(8) . . ? C35 H35 .944(7) . . ? C36 O36 1.354(9) . . ? O36 C361 1.420(10) . . ? C361 H361a .942(10) . . ? C361 H361b .979(8) . . ? C361 H361c .928(7) . . ? Ag2 C 1.896(17) . . ? Ag2 N1 2.698(13) . . ? Ag2 Ag2 .280(18) . 2_656 ? Ag2 C 2.166(17) . 2_656 ? C N 1.268(18) . . ? N1 C2 1.411(15) . . ? N1 C2 1.411(15) . 2_656 ? C2 C3 1.15(2) . . ? C2 H2 .954(11) . . ? C3 C4 1.372(18) . . ? C3 H3 .953(17) . . ? C4 H4 .964(17) . . ? 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 C11 3.503(7) . . ? Ag1 C11 3.503(7) . 2_756 ? Ag1 C12 3.628(7) . . ? Ag1 C12 3.628(7) . 2_756 ? Ag1 O12 2.923(5) . . ? Ag1 O12 2.923(5) . 2_756 ? Ag1 C121 3.717(8) . . ? Ag1 C121 3.717(8) . 2_756 ? Ag1 C21 3.461(6) . 2_756 ? Ag1 C21 3.461(6) . . ? Ag1 C22 3.589(7) . 2_756 ? Ag1 C22 3.589(7) . . ? Ag1 O22 2.896(5) . . ? Ag1 O22 2.896(5) . 2_756 ? Ag1 C221 3.720(7) . . ? Ag1 C221 3.720(7) . 2_756 ? Ag1 C31 3.495(6) . 2_756 ? Ag1 C31 3.495(6) . . ? Ag1 C32 3.627(5) . . ? Ag1 C32 3.627(5) . 2_756 ? Ag1 O32 2.912(4) . 2_756 ? Ag1 O32 2.912(4) . . ? Ag1 C321 3.747(7) . 2_756 ? Ag1 C321 3.747(7) . . ? P C12 2.753(6) . . ? P O12 2.860(4) . . ? P C13 4.078(7) . . ? P C15 4.137(9) . . ? P C16 2.872(8) . . ? P O16 3.072(6) . . ? P C22 2.779(6) . . ? P O22 2.861(4) . . ? P C23 4.083(6) . . ? P C25 4.163(7) . . ? P C26 2.882(6) . . ? P O26 3.077(4) . . ? P C32 2.747(7) . . ? P O32 2.836(5) . . ? P C33 4.075(7) . . ? P C35 4.152(6) . . ? P C36 2.889(6) . . ? P O36 3.089(5) . . ? C11 O12 2.333(8) . . ? C11 C121 3.649(10) . . ? C11 C13 2.441(8) . . ? C11 C14 2.788(10) . . ? C11 C15 2.426(11) . . ? C11 O16 2.351(8) . . ? C11 C161 3.668(12) . . ? C11 C21 2.959(8) . . ? C11 C22 3.693(9) . . ? C11 O22 3.521(7) . . ? C11 C26 3.914(8) . . ? C11 C31 2.952(8) . . ? C11 C36 3.343(8) . . ? C11 O36 2.796(6) . . ? C11 C361 3.977(9) . . ? C11 H13 3.293(6) . . ? C11 H15 3.279(7) . . ? C12 C121 2.423(11) . . ? C12 C14 2.362(11) . . ? C12 C15 2.737(11) . . ? C12 C16 2.378(9) . . ? C12 C31 3.688(8) . . ? C12 C321 3.833(9) . 2_756 ? C12 O36 3.485(6) . . ? C12 H121a 2.622(6) . . ? C12 H121b 3.195(7) . . ? C12 H121c 2.670(6) . . ? C12 H13 2.048(6) . . ? C12 H341c 3.285(6) . 7_666 ? O12 C13 2.402(10) . . ? O12 C31 3.570(6) . . ? O12 H121a 1.946(4) . . ? O12 H121b 1.956(5) . . ? O12 H121c 1.957(4) . . ? O12 H13 2.616(5) . . ? O12 H341c 2.814(4) . 7_666 ? C121 C121 3.906(13) . 2_756 ? C121 C13 2.825(13) . . ? C121 C32 3.806(10) . 2_756 ? C121 C321 3.901(10) . 2_756 ? C121 O34 3.204(10) . 8_565 ? C121 H121b 3.214(9) . 2_756 ? C121 H13 2.530(10) . . ? C121 H321c 3.235(7) . 2_756 ? C121 H341c 3.193(7) . 7_666 ? C121 H35 3.282(7) . 8_565 ? C121 H4 3.244(8) . 5 ? C13 O14 2.410(10) . . ? C13 C141 2.828(12) . . ? C13 C15 2.389(10) . . ? C13 C16 2.775(8) . . ? C13 C221 3.761(9) . 3_767 ? C13 C241 3.511(10) . 6_656 ? C13 H121a 2.801(8) . . ? C13 H121c 2.715(8) . . ? C13 H141a 2.742(7) . . ? C13 H141b 2.785(7) . . ? C13 H15 3.235(7) . . ? C13 H221a 3.006(6) . 3_767 ? C13 H241b 2.894(6) . 6_656 ? C14 C141 2.400(11) . . ? C14 C16 2.380(9) . . ? C14 C221 3.275(9) . 3_767 ? C14 C241 3.613(10) . 6_656 ? C14 H13 2.020(8) . . ? C14 H141a 2.601(6) . . ? C14 H141b 2.633(7) . . ? C14 H141c 3.163(7) . . ? C14 H15 2.014(7) . . ? C14 H221a 2.808(6) . 3_767 ? C14 H221b 3.201(6) . 3_767 ? C14 H221c 3.283(7) . 3_767 ? C14 H241b 2.936(6) . 6_656 ? O14 C15 2.288(8) . . ? O14 C16 3.568(8) . . ? O14 C221 3.492(8) . 3_767 ? O14 C24 3.356(10) . 4_565 ? O14 O24 3.082(9) . 4_565 ? O14 C241 3.272(12) . 4_565 ? O14 H13 2.634(7) . . ? O14 H141a 1.944(5) . . ? O14 H141b 1.941(5) . . ? O14 H141c 1.939(5) . . ? O14 H15 2.428(5) . . ? O14 H241a 2.687(6) . 4_565 ? C141 C15 3.611(11) . . ? C141 O24 3.516(13) . 4_565 ? C141 C241 3.857(15) . 4_565 ? C141 Ag2 4.008(10) . 8_565 ? C141 Ag2 4.107(10) . 7_667 ? C141 C 3.473(14) . 8_565 ? C141 H13 2.538(11) . . ? C15 O16 2.405(8) . . ? C15 C161 2.793(10) . . ? C15 C221 3.343(8) . 3_767 ? C15 H13 3.243(7) . . ? C15 H161a 2.922(6) . . ? C15 H161c 2.682(7) . . ? C15 H221a 3.035(6) . 3_767 ? C15 H221c 2.970(6) . 3_767 ? C16 C161 2.397(12) . . ? C16 C21 3.338(9) . . ? C16 C221 3.881(8) . 3_767 ? C16 C26 3.972(9) . . ? C16 C31 3.846(10) . . ? C16 C36 3.901(9) . . ? C16 O36 2.957(7) . . ? C16 C361 3.755(9) . . ? C16 H15 2.024(8) . . ? C16 H161a 2.712(7) . . ? C16 H161b 3.195(6) . . ? C16 H161c 2.616(7) . . ? O16 C21 2.807(9) . . ? O16 C22 3.537(9) . . ? O16 C26 3.033(9) . . ? O16 O26 3.096(7) . . ? O16 O36 3.130(7) . . ? O16 H15 2.613(5) . . ? O16 H161a 1.954(6) . . ? O16 H161b 1.961(5) . . ? O16 H161c 1.961(6) . . ? C161 C21 3.998(14) . . ? C161 C26 3.890(14) . . ? C161 C321 3.980(11) . 4_565 ? C161 Ag2 4.161(12) . . ? C161 Ag2 4.147(12) . 2_656 ? C161 H15 2.480(8) . . ? C161 H321b 3.178(9) . 4_565 ? C21 O22 2.333(6) . . ? C21 C221 3.641(8) . . ? C21 C221 3.955(11) . 2_756 ? C21 C23 2.444(8) . . ? C21 C24 2.814(9) . . ? C21 C25 2.456(8) . . ? C21 O26 2.344(6) . . ? C21 C261 3.639(9) . . ? C21 C31 2.926(8) . . ? C21 C32 3.596(9) . . ? C21 O32 3.434(8) . . ? C21 C36 3.877(8) . . ? C21 H23 3.285(6) . . ? C21 H25 3.295(5) . . ? C22 C221 3.524(12) . 2_756 ? C22 C221 2.389(8) . . ? C22 C24 2.384(8) . . ? C22 O24 3.587(7) . . ? C22 C25 2.774(7) . . ? C22 C26 2.405(7) . . ? C22 C321 3.475(11) . 4_565 ? C22 H221a 2.704(5) . . ? C22 H221b 3.035(7) . 2_756 ? C22 H221b 2.535(6) . . ? C22 H221c 3.163(5) . . ? C22 H221c 3.288(8) . 2_756 ? C22 H23 2.016(6) . . ? C22 H321b 2.957(7) . 4_565 ? O22 C23 2.414(7) . . ? O22 C321 3.559(8) . 2_756 ? O22 C321 3.459(10) . 4_565 ? O22 H221a 1.958(4) . . ? O22 H221b 1.956(4) . . ? O22 H221c 1.955(4) . . ? O22 H23 2.614(4) . . ? O22 H321a 2.822(4) . 2_756 ? C221 C221 3.827(11) . 2_756 ? C221 C23 2.802(8) . . ? C221 C23 3.750(12) . 2_756 ? C221 O32 3.512(8) . 2_756 ? C221 C321 3.583(10) . 2_756 ? C221 C321 3.602(13) . 4_565 ? C221 H221b 3.195(8) . 2_756 ? C221 H23 2.495(6) . . ? C221 H321a 2.938(7) . 2_756 ? C221 H321a 3.121(9) . 4_565 ? C23 O24 2.313(7) . . ? C23 C241 3.611(9) . . ? C23 C25 2.404(8) . . ? C23 C26 2.776(8) . . ? C23 C321 3.477(11) . 4_565 ? C23 H221a 2.846(5) . . ? C23 H221b 2.631(6) . . ? C23 H221b 3.030(8) . 2_756 ? C23 H25 3.251(5) . . ? C23 H321b 3.034(8) . 4_565 ? C23 H321c 3.169(7) . 4_565 ? C24 C241 2.390(10) . . ? C24 C26 2.393(9) . . ? C24 C341 3.972(13) . 4_565 ? C24 H23 2.032(6) . . ? C24 H241a 2.665(6) . . ? C24 H241b 3.177(6) . . ? C24 H241c 2.593(6) . . ? C24 H25 2.026(6) . . ? O24 C25 2.424(8) . . ? O24 C341 3.370(12) . 4_565 ? O24 C361 3.582(9) . 6_646 ? O24 H23 2.474(4) . . ? O24 H241a 1.969(4) . . ? O24 H241b 1.957(4) . . ? O24 H241c 1.956(4) . . ? O24 H25 2.645(4) . . ? O24 H341a 2.811(6) . 4_565 ? O24 H361b 2.829(4) . 6_646 ? C241 C25 2.830(10) . . ? C241 C341 3.415(15) . 4_565 ? C241 C361 3.878(11) . 6_646 ? C241 H25 2.557(8) . . ? C241 H341a 3.131(10) . 4_565 ? C241 H341b 3.261(10) . 4_565 ? C241 H341c 3.247(11) . 4_565 ? C25 O26 2.402(8) . . ? C25 C261 2.828(10) . . ? C25 H23 3.255(5) . . ? C25 H241a 2.937(7) . . ? C25 H241c 2.641(7) . . ? C25 H261a 2.765(6) . . ? C25 H261c 2.764(6) . . ? C26 C261 2.382(9) . . ? C26 C31 3.276(9) . . ? C26 C32 3.832(10) . . ? C26 C36 3.909(9) . . ? C26 H25 2.026(6) . . ? C26 H261a 2.623(6) . . ? C26 H261b 3.151(6) . . ? C26 H261c 2.623(5) . . ? O26 C31 2.759(8) . . ? O26 C32 3.397(9) . . ? O26 C36 2.965(8) . . ? O26 O36 3.183(7) . . ? O26 H25 2.604(5) . . ? O26 H261a 1.930(5) . . ? O26 H261b 1.919(4) . . ? O26 H261c 1.921(4) . . ? C261 C31 3.844(10) . . ? C261 C36 3.703(11) . . ? C261 N 3.494(13) . 3_666 ? C261 C2 3.687(14) . 3_666 ? C261 H25 2.538(9) . . ? C261 H2 2.807(9) . 3_666 ? C31 O32 2.326(9) . . ? C31 C321 3.627(12) . . ? C31 C33 2.446(9) . . ? C31 C34 2.804(8) . . ? C31 C35 2.440(8) . . ? C31 O36 2.341(9) . . ? C31 C361 3.650(12) . . ? C31 H33 3.292(7) . . ? C31 H35 3.288(6) . . ? C32 C321 2.396(12) . . ? C32 C34 2.378(8) . . ? C32 C35 2.750(10) . . ? C32 C36 2.372(11) . . ? C32 O36 3.587(9) . . ? C32 H121a 3.240(7) . 2_756 ? C32 H321a 3.179(7) . . ? C32 H321b 2.638(7) . . ? C32 H321c 2.602(8) . . ? C32 H33 2.043(6) . . ? O32 C33 2.403(7) . . ? O32 H221c 2.744(5) . 2_756 ? O32 H321a 1.951(5) . . ? O32 H321b 1.943(5) . . ? O32 H321c 1.943(5) . . ? O32 H33 2.617(4) . . ? C321 C33 2.790(11) . . ? C321 H121a 3.193(8) . 2_756 ? C321 H221a 2.891(9) . 4_564 ? C321 H221c 2.941(8) . 2_756 ? C321 H33 2.494(7) . . ? C33 O34 2.435(8) . . ? C33 C341 2.813(9) . . ? C33 C35 2.406(12) . . ? C33 C36 2.766(11) . . ? C33 H321b 2.700(7) . . ? C33 H321c 2.729(8) . . ? C33 H341a 2.679(7) . . ? C33 H341b 2.843(6) . . ? C33 H35 3.258(8) . . ? C34 C34 3.673(9) . 7_666 ? C34 C341 2.390(11) . . ? C34 C35 3.797(10) . 7_666 ? C34 C36 2.369(10) . . ? C34 H33 2.035(8) . . ? C34 H341a 2.593(8) . . ? C34 H341b 2.678(7) . . ? C34 H341c 3.178(7) . . ? C34 H35 2.024(8) . . ? O34 C35 3.576(8) . 7_666 ? O34 C35 2.314(9) . . ? O34 C36 3.581(8) . . ? O34 C4 3.531(10) . 3_666 ? O34 H121b 2.595(5) . 8_464 ? O34 H33 2.654(5) . . ? O34 H341a 1.975(6) . . ? O34 H341b 1.960(6) . . ? O34 H341c 1.957(5) . . ? O34 H35 2.468(6) . . ? C341 C35 3.616(12) . . ? C341 C35 3.648(10) . 7_666 ? C341 C36 3.586(11) . 7_666 ? C341 C3 3.999(15) . 4_564 ? C341 C4 3.626(13) . 3_666 ? C341 H121b 3.232(10) . 8_464 ? C341 H241c 3.021(10) . 4_564 ? C341 H33 2.522(8) . . ? C341 H4 3.247(9) . 3_666 ? C35 O36 2.383(9) . . ? C35 C361 2.798(13) . . ? C35 H33 3.254(9) . . ? C35 H341a 3.105(6) . 7_666 ? C35 H361b 2.773(8) . . ? C35 H361c 2.695(9) . . ? C36 C361 2.398(13) . . ? C36 H341a 3.158(7) . 7_666 ? C36 H35 2.015(6) . . ? C36 H361a 3.169(8) . . ? C36 H361b 2.682(7) . . ? C36 H361c 2.572(7) . . ? O36 H35 2.583(4) . . ? O36 H361a 1.953(5) . . ? O36 H361b 1.951(5) . . ? O36 H361c 1.951(4) . . ? C361 Ag2 3.758(15) . . ? C361 Ag2 3.917(15) . 2_656 ? C361 C 3.530(12) . . ? C361 H241b 3.226(7) . 6_656 ? C361 H35 2.488(10) . . ? Ag2 N 3.164(17) . . ? Ag2 N 3.434(17) . 2_656 ? Ag2 C2 3.730(16) . 2_656 ? Ag2 C2 3.643(16) . . ? Ag2 H161a 3.305(8) . . ? Ag2 H161a 3.281(9) . 2_656 ? Ag2 H361a 3.342(11) . 2_656 ? Ag2 H361a 3.237(10) . . ? Ag2 H361c 3.423(12) . . ? C N1 3.531(15) . . ? C C2 3.799(18) . . ? C H141b 2.801(10) . 8_464 ? C H261c 3.215(9) . 3_666 ? C H361c 2.802(10) . . ? C H2 3.249(10) . . ? N H141b 2.829(11) . 8_464 ? N H25 2.896(8) . 3_666 ? N H261c 2.875(10) . 3_666 ? N1 C3 2.280(17) . 2_656 ? N1 C3 2.280(17) . . ? N1 C4 2.56(2) . . ? N1 H2 2.020(3) . 2_656 ? N1 H2 2.020(3) . . ? C2 C2 2.321(16) . 2_656 ? C2 C3 2.62(2) . 2_656 ? C2 C4 2.11(2) . . ? C2 H261a 3.115(16) . . ? C2 H261b 3.225(10) . 3_666 ? C2 H261c 3.271(11) . 3_666 ? C2 H2 3.177(11) . 2_656 ? C2 H3 1.858(16) . . ? C2 H4 2.958(15) . . ? C3 C3 2.44(3) . 2_656 ? C3 H2 1.815(12) . . ? C3 H3 3.298(18) . 2_656 ? C3 H4 2.007(14) . . ? C4 H341b 3.156(5) . 3_666 ? C4 H341b 3.156(5) . 4_565 ? C4 H2 2.969(13) . 2_656 ? C4 H2 2.969(13) . . ? C4 H3 2.059(2) . 2_656 ? C4 H3 2.059(2) . . ? H121a H121b 1.5529(9) . . ? H121a H121c 1.5528(3) . . ? H121a H13 2.4245(7) . . ? H121a H321c 2.4423(5) . 2_756 ? H121b H121c 1.5513(5) . . ? H121c H13 2.2199(8) . . ? H13 H141a 2.3214(15) . . ? H13 H141b 2.3495(8) . . ? H141a H141b 1.5506(3) . . ? H141a H141c 1.5506(4) . . ? H141b H141c 1.5512(9) . . ? H15 H161a 2.5236(9) . . ? H15 H161c 2.1901(3) . . ? H161a H161b 1.5522(2) . . ? H161a H161c 1.5524(5) . . ? H161b H161c 1.5513(8) . . ? H221a H221b 1.5511(9) . . ? H221a H221c 1.5511(3) . . ? H221a H23 2.3638(8) . . ? H221a H321a 2.4535(8) . 4_565 ? H221b H221b 2.4576(16) . 2_756 ? H221b H221c 1.5513(4) . . ? H221b H23 2.2145(6) . . ? H221c H321a 2.4882(6) . 2_756 ? H241a H241b 1.5493(5) . . ? H241a H241c 1.5495(5) . . ? H241b H241c 1.5513(2) . . ? H241c H25 2.1382(3) . . ? H25 H261a 2.3528(4) . . ? H25 H261c 2.3044(5) . . ? H261a H261b 1.5496(3) . . ? H261a H261c 1.5496(8) . . ? H261b H261c 1.5513(2) . . ? H261b H2 2.4298(14) . 3_666 ? H261c H2 2.3899(10) . 3_666 ? H321a H321b 1.5502(6) . . ? H321a H321c 1.5502(2) . . ? H321b H321c 1.5513(3) . . ? H321b H33 2.2291(3) . . ? H321c H33 2.3233(8) . . ? H33 H341a 2.2281(5) . . ? H33 H341b 2.4187(10) . . ? H341a H341b 1.5484(3) . . ? H341a H341c 1.5485(5) . . ? H341b H341c 1.5513(2) . . ? H35 H361b 2.2728(14) . . ? H35 H361c 2.2910(9) . . ? H361a H361b 1.5514(5) . . ? H361a H361c 1.5512(10) . . ? H361b H361c 1.5513(2) . . ? H2 H3 2.1593(3) . . ? H3 H4 2.3490(11) . . ? 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 P Ag1 P 177.38(7) . . 2_756 ? Ag1 P C11 111.02(18) . . . ? Ag1 P C21 109.0(2) . . . ? Ag1 P C31 110.7(2) . . . ? C11 P C21 109.3(3) . . . ? C11 P C31 109.1(3) . . . ? C21 P C31 107.6(2) . . . ? P C11 C12 118.1(5) . . . ? P C11 C16 125.5(4) . . . ? C12 C11 C16 116.4(6) . . . ? C11 C12 O12 115.7(6) . . . ? C11 C12 C13 123.1(7) . . . ? O12 C12 C13 121.2(5) . . . ? C12 O12 C121 120.4(6) . . . ? O12 C121 H121a 108.9(7) . . . ? O12 C121 H121b 109.8(7) . . . ? O12 C121 H121c 108.8(7) . . . ? H121a C121 H121b 110.8(8) . . . ? H121a C121 H121c 109.3(8) . . . ? H121b C121 H121c 109.2(8) . . . ? C12 C13 C14 118.0(6) . . . ? C12 C13 H13 121.4(8) . . . ? C14 C13 H13 120.6(7) . . . ? C13 C14 O14 124.4(6) . . . ? C13 C14 C15 121.6(7) . . . ? O14 C14 C15 114.0(7) . . . ? C14 O14 C141 119.2(7) . . . ? O14 C141 H141a 107.3(8) . . . ? O14 C141 H141b 110.0(6) . . . ? O14 C141 H141c 107.9(9) . . . ? H141a C141 H141b 110.8(11) . . . ? H141a C141 H141c 108.3(7) . . . ? H141b C141 H141c 112.4(10) . . . ? C14 C15 C16 120.0(7) . . . ? C14 C15 H15 119.8(7) . . . ? C16 C15 H15 120.3(6) . . . ? C11 C16 C15 120.9(6) . . . ? C11 C16 O16 116.1(6) . . . ? C15 C16 O16 123.0(7) . . . ? C16 O16 C161 118.4(6) . . . ? O16 C161 H161a 111.1(8) . . . ? O16 C161 H161b 105.2(9) . . . ? O16 C161 H161c 111.0(7) . . . ? H161a C161 H161b 107.0(7) . . . ? H161a C161 H161c 115.6(12) . . . ? H161b C161 H161c 106.2(9) . . . ? P C21 C22 118.4(4) . . . ? P C21 C26 125.5(4) . . . ? C22 C21 C26 116.1(5) . . . ? C21 C22 O22 114.3(5) . . . ? C21 C22 C23 122.3(5) . . . ? O22 C22 C23 123.5(5) . . . ? C22 O22 C221 118.1(5) . . . ? O22 C221 H221a 109.3(7) . . . ? O22 C221 H221b 109.6(5) . . . ? O22 C221 H221c 109.6(6) . . . ? H221a C221 H221b 109.2(6) . . . ? H221a C221 H221c 109.3(6) . . . ? H221b C221 H221c 109.9(8) . . . ? C22 C23 C24 119.6(5) . . . ? C22 C23 H23 119.6(5) . . . ? C24 C23 H23 120.8(6) . . . ? C23 C24 O24 114.8(5) . . . ? C23 C24 C25 121.0(6) . . . ? O24 C24 C25 124.1(5) . . . ? C24 O24 C241 118.2(5) . . . ? O24 C241 H241a 110.2(8) . . . ? O24 C241 H241b 109.1(6) . . . ? O24 C241 H241c 110.1(7) . . . ? H241a C241 H241b 108.1(8) . . . ? H241a C241 H241c 109.6(7) . . . ? H241b C241 H241c 109.7(9) . . . ? C24 C25 C26 119.4(5) . . . ? C24 C25 H25 120.8(7) . . . ? C26 C25 H25 119.8(6) . . . ? C21 C26 C25 121.6(5) . . . ? C21 C26 O26 115.7(5) . . . ? C25 C26 O26 122.7(5) . . . ? C26 O26 C261 122.0(6) . . . ? O26 C261 H261a 109.2(8) . . . ? O26 C261 H261b 110.6(8) . . . ? O26 C261 H261c 110.1(9) . . . ? H261a C261 H261b 108.4(10) . . . ? H261a C261 H261c 107.6(9) . . . ? H261b C261 H261c 110.9(10) . . . ? P C31 C32 117.7(5) . . . ? P C31 C36 126.8(5) . . . ? C32 C31 C36 115.5(5) . . . ? C31 C32 O32 115.2(5) . . . ? C31 C32 C33 123.4(6) . . . ? O32 C32 C33 121.4(7) . . . ? C32 O32 C321 119.5(5) . . . ? O32 C321 H321a 110.7(6) . . . ? O32 C321 H321b 108.9(7) . . . ? O32 C321 H321c 109.4(7) . . . ? H321a C321 H321b 109.3(8) . . . ? H321a C321 H321c 109.9(8) . . . ? H321b C321 H321c 108.6(7) . . . ? C32 C33 C34 117.9(7) . . . ? C32 C33 H33 121.4(7) . . . ? C34 C33 H33 120.7(6) . . . ? C33 C34 O34 124.0(7) . . . ? C33 C34 C35 121.2(6) . . . ? O34 C34 C35 114.8(6) . . . ? C34 O34 C341 117.9(6) . . . ? O34 C341 H341a 112.0(6) . . . ? O34 C341 H341b 109.2(8) . . . ? O34 C341 H341c 109.7(9) . . . ? H341a C341 H341b 108.5(10) . . . ? H341a C341 H341c 109.5(10) . . . ? H341b C341 H341c 107.9(7) . . . ? C34 C35 C36 119.5(7) . . . ? C34 C35 H35 120.5(6) . . . ? C36 C35 H35 120.0(8) . . . ? C31 C36 C35 122.4(7) . . . ? C31 C36 O36 115.4(5) . . . ? C35 C36 O36 122.1(6) . . . ? C36 O36 C361 119.5(5) . . . ? O36 C361 H361a 109.9(6) . . . ? O36 C361 H361b 107.4(8) . . . ? O36 C361 H361c 110.7(8) . . . ? H361a C361 H361b 107.7(9) . . . ? H361a C361 H361c 112.1(9) . . . ? H361b C361 H361c 108.9(7) . . . ? C Ag2 N1 98.9(4) . . . ? C Ag2 Ag2 163(3) . . 2_656 ? C Ag2 C 168.4(4) . . 2_656 ? N1 Ag2 Ag2 87.0(5) . . 2_656 ? N1 Ag2 C 92.4(4) . . 2_656 ? Ag2 Ag2 C 15(2) 2_656 . 2_656 ? Ag2 C N 178.6(9) . . . ? Ag2 C Ag2 2.1(4) . . 2_656 ? N C Ag2 178.6(9) . . 2_656 ? Ag2 N1 C2 121.7(8) . . . ? Ag2 N1 Ag2 5.9(4) . . 2_656 ? Ag2 N1 C2 127.6(8) . . 2_656 ? C2 N1 Ag2 127.6(8) . . 2_656 ? C2 N1 C2 110.7(12) . . 2_656 ? Ag2 N1 C2 121.7(8) 2_656 . 2_656 ? N1 C2 C3 125.2(12) . . . ? N1 C2 H2 116.0(14) . . . ? C3 C2 H2 118.7(14) . . . ? C2 C3 C4 112.6(16) . . . ? C2 C3 H3 123.6(16) . . . ? C4 C3 H3 123.7(12) . . . ? C3 C4 H4 117.4(8) . . . ? C3 C4 C3 125.2(15) . . 2_656 ? H4 C4 C3 117.4(8) . . 2_656 ? 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 ? _reflns_limit_h_max ? _reflns_limit_k_min ? _reflns_limit_k_max ? _reflns_limit_l_min ? _reflns_limit_l_max ? _reflns_number_total ? #ActaC _reflns_number_observed ? #ActaC _reflns_observed_criterion refl_observed_if_F____>_***__sigma(F___) _reflns_d_resolution_high ? _reflns_d_resolution_low ? loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 6.9103 #=END data_cnagp3 _audit_creation_date 98-04-05 _audit_creation_method from_xtal_archive_file_using_CIFIO _audit_update_record ? _chemical_compound_source ? #ActaC _chemical_name_systematic ? #ActaC _chemical_name_common AgCN:PPh3(1:3) #ActaC _chemical_formula_analytical ? #ActaC _chemical_formula_moiety ? #ActaC _chemical_formula_structural ? #ActaC _chemical_formula_sum C55_H45_N1_Ag1_P3 #ActaC _chemical_formula_weight 920.76 #ActaC _chemical_melting_point ? #ActaC _computing_data_collection ? #ActaC _computing_cell_refinement ? #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 18.843(7) #ActaC _cell_length_b 13.748(6) #ActaC _cell_length_c 17.630(3) #ActaC _cell_angle_alpha 90.00000 #ActaC _cell_angle_beta 95.69(2) #ActaC _cell_angle_gamma 90.00000 #ActaC _cell_volume 4545(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/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 1.346 #ActaC _exptl_crystal_density_meas ? #ActaC _exptl_crystal_density_method ? #ActaC _exptl_crystal_F_000 ? #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 ? #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 ? #ActaC _diffrn_reflns_av_R_equivalents ? #ActaC _diffrn_reflns_av_sigmaI/netI ? #ActaC _diffrn_reflns_limit_h_min ? #ActaC _diffrn_reflns_limit_h_max ? #ActaC _diffrn_reflns_limit_k_min ? #ActaC _diffrn_reflns_limit_k_max ? #ActaC _diffrn_reflns_limit_l_min ? #ActaC _diffrn_reflns_limit_l_max ? #ActaC _diffrn_reflns_theta_min ? #ActaC _diffrn_reflns_theta_max ? #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 ? 0 220 .002 .002 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 H ? 0 180 0 0 Int_Tables_Vol_IV_Tables_2.2B_and_2.3.1 N ? 0 4 .004 .003 Int_Tables_Vol_IV_Tables_2.2B_and_2.3.1 Ag ? 0 4 -1.085 1.101 Int_Tables_Vol_IV_Tables_2.2B_and_2.3.1 P ? 0 12 .09 .095 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 C -.0896(4) .2545(6) .1317(5) .059(6) Uani ? ? N -.1303(4) .2929(5) .0900(4) .089(6) Uani ? ? Ag -.00829(3) .17951(5) .20308(4) .0714(5) Uani ? ? P1 .00371(10) .31246(15) .34487(12) .0536(13) Uani ? ? C111 -.0852(3) .3347(5) .3752(4) .050(5) Uani ? ? C112 -.1350(5) .2624(6) .3628(5) .069(6) Uani ? ? C113 -.2034(5) .2737(7) .3850(6) .088(7) Uani ? ? C114 -.2204(4) .3585(8) .4195(5) .075(7) Uani ? ? C115 -.1722(5) .4314(6) .4302(5) .071(6) Uani ? ? C116 -.1044(4) .4199(6) .4083(5) .068(6) Uani ? ? C121 .0257(4) .4354(6) .3148(5) .055(6) Uani ? ? C122 -.0156(5) .4724(7) .2510(5) .074(7) Uani ? ? C123 -.0020(6) .5642(7) .2237(6) .095(8) Uani ? ? C124 .0522(6) .6184(7) .2599(8) .100(9) Uani ? ? C125 .0920(5) .5851(8) .3221(8) .115(10) Uani ? ? C126 .0786(5) .4917(7) .3486(6) .086(7) Uani ? ? C131 .0594(4) .3006(5) .4350(5) .058(6) Uani ? ? C132 .1304(5) .2730(6) .4332(5) .065(6) Uani ? ? C133 .1762(5) .2641(6) .4991(6) .073(6) Uani ? ? C134 .1523(5) .2812(6) .5687(6) .077(7) Uani ? ? C135 .0829(6) .3088(7) .5730(6) .091(8) Uani ? ? C136 .0367(4) .3171(7) .5068(6) .075(6) Uani ? ? P2 -.04021(10) .01324(13) .25234(12) .0433(12) Uani ? ? C211 -.1316(3) .0087(5) .2792(4) .042(5) Uani ? ? C212 -.1830(4) .0596(6) .2340(4) .058(5) Uani ? ? C213 -.2540(5) .0532(7) .2491(6) .074(6) Uani ? ? C214 -.2734(4) -.0013(7) .3094(5) .070(6) Uani ? ? C215 -.2224(5) -.0511(6) .3542(5) .069(6) Uani ? ? C216 -.1512(4) -.0465(5) .3392(4) .054(5) Uani ? ? C221 -.0375(4) -.0925(5) .1900(4) .046(5) Uani ? ? C222 .0218(4) -.1053(6) .1492(5) .054(5) Uani ? ? C223 .0262(4) -.1827(6) .1009(5) .059(5) Uani ? ? C224 -.0292(5) -.2469(6) .0897(4) .061(6) Uani ? ? C225 -.0883(4) -.2350(6) .1291(5) .065(6) Uani ? ? C226 -.0929(4) -.1575(6) .1784(5) .055(5) Uani ? ? C231 .0147(4) -.0253(5) .3379(4) .042(5) Uani ? ? C232 .0370(5) .0426(6) .3917(5) .069(6) Uani ? ? C233 .0800(6) .0188(8) .4558(5) .092(8) Uani ? ? C234 .1042(5) -.0729(9) .4669(5) .079(7) Uani ? ? C235 .0839(6) -.1414(7) .4145(6) .097(8) Uani ? ? C236 .0405(5) -.1180(7) .3490(5) .088(7) Uani ? ? P3 .11562(9) .19563(14) .16095(11) .0434(12) Uani ? ? C311 .1292(3) .3031(5) .1044(4) .038(4) Uani ? ? C312 .0811(4) .3779(6) .1033(5) .059(6) Uani ? ? C313 .0874(4) .4600(6) .0606(5) .073(6) Uani ? ? C314 .1421(5) .4681(6) .0141(5) .065(6) Uani ? ? C315 .1908(4) .3932(7) .0146(5) .067(6) Uani ? ? C316 .1844(3) .3112(6) .0579(4) .057(5) Uani ? ? C321 .1421(3) .0967(5) .1000(4) .037(4) Uani ? ? C322 .0947(4) .0701(6) .0395(5) .051(5) Uani ? ? C323 .1079(5) -.0067(7) -.0084(5) .064(6) Uani ? ? C324 .1703(5) -.0570(6) .0057(5) .056(6) Uani ? ? C325 .2180(4) -.0341(6) .0668(5) .063(6) Uani ? ? C326 .2050(4) .0436(6) .1135(5) .056(5) Uani ? ? C331 .1878(3) .1967(6) .2371(4) .045(5) Uani ? ? C332 .1930(4) .1188(6) .2874(5) .058(6) Uani ? ? C333 .2467(5) .1122(7) .3451(5) .069(6) Uani ? ? C334 .2961(4) .1863(8) .3557(5) .079(7) Uani ? ? C335 .2922(5) .2639(7) .3071(6) .078(7) Uani ? ? C336 .2385(4) .2703(6) .2485(5) .059(5) Uani ? ? H112 -.12248 .20351 .33898 .08750 Uiso ? ? H113 -.23782 .22376 .37585 .11210 Uiso ? ? H114 -.26632 .36699 .43617 .09510 Uiso ? ? H115 -.18472 .49120 .45300 .09030 Uiso ? ? H116 -.07053 .47149 .41644 .08710 Uiso ? ? H122 -.05328 .43417 .22662 .09170 Uiso ? ? H123 -.02982 .58942 .18062 .11940 Uiso ? ? H124 .06203 .68086 .24140 .12830 Uiso ? ? H125 .12863 .62373 .34729 .14200 Uiso ? ? H126 .10753 .46754 .39182 .10600 Uiso ? ? H132 .14776 .25986 .38527 .08040 Uiso ? ? H133 .22433 .24625 .49589 .09030 Uiso ? ? H134 .18369 .27379 .61389 .09370 Uiso ? ? H135 .06644 .32257 .62077 .11750 Uiso ? ? H136 -.01176 .33406 .51073 .09440 Uiso ? ? H212 -.17010 .09856 .19267 .07240 Uiso ? ? H213 -.28962 .08719 .21747 .09010 Uiso ? ? H214 -.32200 -.00449 .31918 .08860 Uiso ? ? H215 -.23564 -.08907 .39569 .08660 Uiso ? ? H216 -.11581 -.08141 .37077 .06770 Uiso ? ? H222 .06007 -.05909 .15503 .06800 Uiso ? ? H223 .06792 -.19158 .07506 .07370 Uiso ? ? H224 -.02671 -.29959 .05473 .07480 Uiso ? ? H225 -.12631 -.28075 .12190 .07970 Uiso ? ? H226 -.13455 -.14931 .20458 .06850 Uiso ? ? H232 .02254 .10812 .38371 .08550 Uiso ? ? H233 .09286 .06710 .49296 .11210 Uiso ? ? H234 .13517 -.08922 .51093 .09580 Uiso ? ? H235 .09975 -.20647 .42231 .11770 Uiso ? ? H236 .02858 -.16679 .31180 .10420 Uiso ? ? H312 .04190 .37291 .13330 .07550 Uiso ? ? H313 .05381 .51160 .06268 .09010 Uiso ? ? H314 .14610 .52427 -.01668 .07900 Uiso ? ? H315 .22952 .39863 -.01576 .08490 Uiso ? ? H316 .21800 .25960 .05633 .07160 Uiso ? ? H322 .05106 .10541 .03003 .06290 Uiso ? ? H323 .07415 -.02395 -.05000 .07850 Uiso ? ? H324 .18073 -.10879 -.02725 .07040 Uiso ? ? H325 .26047 -.07165 .07713 .07800 Uiso ? ? H326 .23902 .06045 .15521 .06940 Uiso ? ? H332 .15798 .06834 .28139 .07140 Uiso ? ? H333 .25005 .05696 .37772 .08290 Uiso ? ? H334 .33273 .18349 .39670 .09530 Uiso ? ? H335 .32701 .31404 .31377 .09510 Uiso ? ? H336 .23576 .32538 .21547 .07340 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 C .057(6) .061(6) .058(7) -.010(5) -.003(5) -.001(5) N .089(6) .081(6) .089(7) .012(5) -.021(5) .011(5) Ag .0415(3) .0664(5) .1081(6) .0080(4) .0173(4) .0428(5) P1 .0504(12) .0438(13) .0688(16) .0046(12) .0166(11) .0089(13) C111 .045(4) .035(5) .073(6) -.007(4) .017(4) .001(4) C112 .065(6) .050(6) .096(7) -.002(5) .029(5) -.010(5) C113 .062(7) .069(7) .138(10) -.014(5) .034(6) -.018(7) C114 .043(5) .095(8) .091(8) -.003(5) .026(5) -.001(6) C115 .058(6) .062(6) .098(8) .019(5) .030(6) -.015(6) C116 .061(6) .044(6) .103(8) -.006(5) .026(5) -.014(5) C121 .035(5) .049(5) .082(7) .003(4) .018(5) .003(5) C122 .086(7) .063(7) .072(7) .007(5) .004(6) .008(6) C123 .161(11) .045(6) .087(9) .024(7) .044(8) .035(6) C124 .095(9) .055(7) .160(13) -.019(7) .059(8) .008(8) C125 .076(8) .075(9) .194(15) .002(7) .007(8) .019(9) C126 .054(6) .058(6) .144(10) -.007(5) -.005(6) .039(6) C131 .070(6) .036(5) .071(7) .001(4) .022(5) .011(5) C132 .058(6) .057(6) .082(7) .004(5) .018(5) .013(5) C133 .061(6) .060(6) .097(8) -.006(5) .008(6) .013(6) C134 .087(8) .056(6) .085(8) -.002(5) -.004(6) .013(6) C135 .112(8) .091(8) .071(8) .011(7) .017(7) -.009(7) C136 .073(6) .084(7) .070(7) .010(6) .013(6) .009(6) P2 .0400(12) .0364(12) .0527(15) -.0045(10) .0011(10) .0059(11) C211 .037(4) .044(5) .043(5) -.004(4) -.001(4) .001(4) C212 .049(5) .066(6) .059(6) -.007(5) .001(5) .016(5) C213 .057(6) .092(7) .071(7) .005(5) -.006(5) .016(6) C214 .050(5) .085(7) .078(8) -.003(5) .017(5) .007(6) C215 .064(6) .083(7) .062(7) .001(5) .018(5) .014(5) C216 .057(5) .052(5) .055(6) .007(4) .011(5) .013(5) C221 .047(5) .036(5) .053(6) -.008(4) -.002(4) -.001(4) C222 .052(5) .054(6) .057(6) -.002(4) .006(4) .012(5) C223 .055(5) .054(6) .068(6) .013(5) .002(5) -.004(5) C224 .079(6) .056(6) .046(6) .016(5) -.007(5) -.003(5) C225 .064(6) .060(6) .069(7) -.011(5) -.004(5) -.004(5) C226 .042(4) .054(6) .069(6) -.005(4) .007(4) -.007(5) C231 .046(5) .036(5) .044(5) .002(4) .003(4) .001(4) C232 .099(7) .041(5) .064(7) -.004(5) -.012(6) -.004(5) C233 .121(9) .091(9) .058(7) -.026(7) -.034(6) .008(6) C234 .067(6) .104(9) .060(8) -.000(6) -.023(5) .026(7) C235 .126(9) .076(8) .082(9) .026(7) -.027(7) .001(7) C236 .101(8) .087(8) .066(7) .025(6) -.034(6) -.010(6) P3 .0368(11) .0457(13) .0482(14) .0017(10) .0067(10) .0048(11) C311 .036(4) .035(5) .044(5) -.001(4) .005(4) .002(4) C312 .058(5) .050(5) .074(7) .004(5) .023(5) .011(5) C313 .072(6) .053(6) .095(8) .006(5) .019(6) .003(6) C314 .087(7) .042(6) .063(7) -.015(5) -.009(6) .009(5) C315 .069(6) .069(7) .068(7) -.018(5) .029(5) .004(6) C316 .048(5) .054(5) .071(6) .003(4) .014(4) .012(5) C321 .034(4) .040(4) .036(5) -.003(4) -.000(4) .010(4) C322 .044(5) .056(6) .052(6) -.005(4) -.002(4) .016(5) C323 .072(6) .066(6) .051(6) -.021(5) -.003(5) .004(5) C324 .065(6) .059(6) .047(6) -.010(5) .017(5) -.012(5) C325 .048(5) .059(6) .084(7) .012(5) .017(5) -.005(5) C326 .035(5) .063(6) .067(6) .006(4) .000(4) -.001(5) C331 .043(4) .052(5) .041(5) .005(4) .007(4) -.007(5) C332 .055(5) .070(6) .046(6) -.001(5) -.002(5) .005(5) C333 .072(6) .080(7) .049(7) .018(5) -.018(5) .006(5) C334 .064(6) .107(9) .061(7) .019(7) -.020(5) -.007(7) C335 .054(6) .097(8) .079(8) -.016(6) -.010(6) -.009(6) C336 .059(5) .058(6) .059(6) -.000(5) .002(5) -.003(5) _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens ? _refine_special_details ? _refine_ls_structure_factor_coef ? #ActaC _refine_ls_matrix_type ? #ActaC _refine_ls_weighting_scheme ? #ActaC _refine_ls_hydrogen_treatment ? #ActaC _refine_ls_extinction_method ? #ActaC _refine_ls_extinction_coef ? #ActaC _refine_ls_extinction_expression ? _refine_ls_abs_structure_details ? #ActaC _refine_ls_abs_structure_Flack ? #ActaC _refine_ls_number_reflns ? #ActaC _refine_ls_number_parameters ? #ActaC _refine_ls_number_restraints ? #ActaC _refine_ls_number_constraints ? #ActaC _refine_ls_R_factor_all ? #ActaC _refine_ls_R_factor_obs ? #ActaC _refine_ls_wR_factor_all ? #ActaC _refine_ls_wR_factor_obs ? #ActaC _refine_ls_goodness_of_fit_all ? #ActaC _refine_ls_goodness_of_fit_obs ? #ActaC _refine_ls_shift/esd_max ? #ActaC _refine_ls_shift/esd_mean ? #ActaC _refine_diff_density_min ? #ActaC _refine_diff_density_max ? #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 C N 1.137(11) . . ? C Ag 2.148(8) . . ? Ag P1 3.087(2) . . ? Ag P2 2.539(2) . . ? Ag P3 2.529(2) . . ? P1 C111 1.833(7) . . ? P1 C121 1.831(8) . . ? P1 C131 1.822(8) . . ? C111 C112 1.369(11) . . ? C111 C116 1.373(11) . . ? C112 C113 1.393(13) . . ? C112 H112 .952(8) . . ? C113 C114 1.367(14) . . ? C113 H113 .947(9) . . ? C114 C115 1.352(13) . . ? C114 H114 .949(8) . . ? C115 C116 1.379(12) . . ? C115 H115 .956(9) . . ? C116 H116 .956(8) . . ? C121 C122 1.399(12) . . ? C121 C126 1.353(11) . . ? C122 C123 1.384(13) . . ? C122 H122 .950(9) . . ? C123 C124 1.370(15) . . ? C123 H123 .944(10) . . ? C124 C125 1.346(18) . . ? C124 H124 .943(11) . . ? C125 C126 1.398(15) . . ? C125 H125 .946(11) . . ? C126 H126 .952(9) . . ? C131 C132 1.394(12) . . ? C131 C136 1.395(13) . . ? C132 C133 1.383(13) . . ? C132 H132 .953(9) . . ? C133 C134 1.368(15) . . ? C133 H133 .946(9) . . ? C134 C135 1.371(15) . . ? C134 H134 .950(10) . . ? C135 C136 1.389(13) . . ? C135 H135 .946(10) . . ? C136 H136 .951(8) . . ? P2 C211 1.831(7) . . ? P2 C221 1.826(7) . . ? P2 C231 1.821(7) . . ? C211 C212 1.382(10) . . ? C211 C216 1.384(11) . . ? C212 C213 1.393(12) . . ? C212 H212 .955(8) . . ? C213 C214 1.379(13) . . ? C213 H213 .951(9) . . ? C214 C215 1.365(12) . . ? C214 H214 .950(8) . . ? C215 C216 1.394(12) . . ? C215 H215 .952(9) . . ? C216 H216 .954(7) . . ? C221 C222 1.400(11) . . ? C221 C226 1.374(10) . . ? C222 C223 1.371(11) . . ? C222 H222 .958(7) . . ? C223 C224 1.366(12) . . ? C223 H223 .954(8) . . ? C224 C225 1.380(12) . . ? C224 H224 .955(8) . . ? C225 C226 1.384(11) . . ? C225 H225 .952(8) . . ? C226 H226 .955(7) . . ? C231 C232 1.366(11) . . ? C231 C236 1.372(12) . . ? C232 C233 1.364(13) . . ? C232 H232 .948(8) . . ? C233 C234 1.347(16) . . ? C233 H233 .947(10) . . ? C234 C235 1.349(15) . . ? C234 H234 .950(9) . . ? C235 C236 1.385(14) . . ? C235 H235 .948(10) . . ? C236 H236 .949(9) . . ? P3 C311 1.815(7) . . ? P3 C321 1.833(7) . . ? P3 C331 1.814(7) . . ? C311 C312 1.369(10) . . ? C311 C316 1.392(10) . . ? C312 C313 1.368(12) . . ? C312 H312 .954(8) . . ? C313 C314 1.383(13) . . ? C313 H313 .954(8) . . ? C314 C315 1.378(12) . . ? C314 H314 .952(8) . . ? C315 C316 1.374(12) . . ? C315 H315 .950(9) . . ? C316 H316 .952(7) . . ? C321 C322 1.371(10) . . ? C321 C326 1.392(10) . . ? C322 C323 1.389(12) . . ? C322 H322 .956(7) . . ? C323 C324 1.366(12) . . ? C323 H323 .952(8) . . ? C324 C325 1.371(12) . . ? C324 H324 .951(8) . . ? C325 C326 1.385(12) . . ? C325 H325 .954(8) . . ? C326 H326 .956(7) . . ? C331 C332 1.387(11) . . ? C331 C336 1.392(11) . . ? C332 C333 1.365(11) . . ? C332 H332 .956(8) . . ? C333 C334 1.381(13) . . ? C333 H333 .951(9) . . ? C334 C335 1.365(14) . . ? C334 H334 .949(8) . . ? C335 C336 1.376(12) . . ? C335 H335 .950(9) . . ? C336 H336 .954(8) . . ? 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 N Ag 3.283(7) . . ? N C214 3.884(12) . 2_455 ? N C215 3.717(12) . 2_455 ? N C314 3.761(11) . 3_565 ? N C324 3.698(11) . 3 ? N H122 3.314(7) . . ? N H133 3.106(7) . 4_454 ? N H212 3.353(8) . . ? N H214 3.379(8) . 2_455 ? N H215 3.034(7) . 2_455 ? N H223 3.531(8) . 3 ? N H312 3.439(7) . . ? N H314 2.829(7) . 3_565 ? N H324 2.885(7) . 3 ? N H334 3.426(8) . 4_454 ? Ag C211 3.650(7) . . ? Ag C212 3.770(8) . . ? Ag C221 3.783(7) . . ? Ag C231 3.682(7) . . ? Ag C311 3.677(7) . . ? Ag C312 3.737(8) . . ? Ag C321 3.694(7) . . ? Ag C331 3.692(7) . . ? Ag H112 3.3914(9) . . ? Ag H212 3.2338(12) . . ? Ag H232 3.3279(9) . . ? Ag H312 3.1158(12) . . ? P1 C112 2.751(9) . . ? P1 C116 2.834(8) . . ? P1 C122 2.755(9) . . ? P1 C126 2.837(9) . . ? P1 C132 2.771(9) . . ? P1 C136 2.862(10) . . ? P1 P2 4.472(3) . . ? P1 C232 3.839(8) . . ? P1 P3 4.347(3) . . ? P1 H112 2.803(2) . . ? P1 H116 2.946(2) . . ? P1 H122 2.803(2) . . ? P1 H126 2.956(2) . . ? P1 H132 2.831(2) . . ? P1 H136 2.982(2) . . ? P1 H232 2.905(2) . . ? C111 C113 2.403(11) . . ? C111 C114 2.757(11) . . ? C111 C115 2.390(11) . . ? C111 C121 2.802(11) . . ? C111 C131 2.860(10) . . ? C111 H112 2.016(7) . . ? C111 H116 2.026(7) . . ? C111 H136 2.640(7) . . ? C112 C114 2.377(13) . . ? C112 C115 2.731(12) . . ? C112 C116 2.360(11) . . ? C112 H113 2.044(9) . . ? C113 C115 2.363(13) . . ? C113 C116 2.745(12) . . ? C113 H112 2.040(10) . . ? C113 H114 2.019(10) . . ? C114 C116 2.368(11) . . ? C114 H113 2.020(10) . . ? C114 H115 2.012(10) . . ? C115 H114 1.995(9) . . ? C115 H116 2.031(9) . . ? C116 H115 2.027(8) . . ? C116 H136 2.660(8) . . ? C121 C123 2.413(13) . . ? C121 C124 2.760(13) . . ? C121 C125 2.405(13) . . ? C121 C131 2.839(11) . . ? C121 H122 2.043(8) . . ? C121 H126 2.001(8) . . ? C122 C124 2.377(14) . . ? C122 C125 2.754(14) . . ? C122 C126 2.362(12) . . ? C122 H123 2.033(9) . . ? C123 C125 2.371(16) . . ? C123 C126 2.736(14) . . ? C123 H122 2.035(10) . . ? C123 H124 2.013(10) . . ? C124 C126 2.361(15) . . ? C124 H123 2.018(12) . . ? C124 H125 2.003(12) . . ? C125 H124 1.979(13) . . ? C125 H126 2.034(12) . . ? C126 H125 2.047(9) . . ? C131 C133 2.426(11) . . ? C131 C134 2.806(12) . . ? C131 C135 2.431(13) . . ? C131 H126 2.609(7) . . ? C131 H132 2.036(8) . . ? C131 H136 2.036(8) . . ? C132 C134 2.386(13) . . ? C132 C135 2.748(14) . . ? C132 C136 2.372(13) . . ? C132 H133 2.025(8) . . ? C133 C135 2.371(15) . . ? C133 C136 2.745(12) . . ? C133 H132 2.027(11) . . ? C133 H134 2.019(11) . . ? C134 C136 2.389(13) . . ? C134 H133 2.016(11) . . ? C134 H135 2.020(10) . . ? C135 H134 2.022(11) . . ? C135 H136 2.029(10) . . ? C136 H135 2.033(10) . . ? P2 C212 2.753(8) . . ? P2 C216 2.834(8) . . ? P2 C222 2.784(8) . . ? P2 C226 2.817(8) . . ? P2 C232 2.758(9) . . ? P2 C236 2.821(9) . . ? P2 P3 4.295(3) . . ? P2 H112 3.471(2) . . ? P2 H212 2.822(2) . . ? P2 H216 2.945(2) . . ? P2 H222 2.854(2) . . ? P2 H226 2.927(2) . . ? P2 H232 2.814(2) . . ? P2 H236 2.939(2) . . ? P2 H323 3.564(2) . 3 ? C211 C213 2.396(11) . . ? C211 C214 2.780(10) . . ? C211 C215 2.410(11) . . ? C211 C221 2.846(10) . . ? C211 C231 2.885(9) . . ? C211 H212 2.039(7) . . ? C211 H216 2.034(7) . . ? C211 H226 2.538(7) . . ? C212 C214 2.411(12) . . ? C212 C215 2.769(12) . . ? C212 C216 2.390(11) . . ? C212 H213 2.036(8) . . ? C213 C215 2.372(12) . . ? C213 C216 2.748(11) . . ? C213 H212 2.047(10) . . ? C213 H214 2.027(10) . . ? C214 C216 2.392(11) . . ? C214 H213 2.025(9) . . ? C214 H215 2.016(9) . . ? C215 H214 2.020(9) . . ? C215 H216 2.044(9) . . ? C216 H215 2.044(8) . . ? C221 C223 2.413(11) . . ? C221 C224 2.778(11) . . ? C221 C225 2.389(11) . . ? C221 C231 2.849(10) . . ? C221 H222 2.049(7) . . ? C221 H226 2.028(7) . . ? C221 H236 2.584(7) . . ? C222 C224 2.370(11) . . ? C222 C225 2.733(11) . . ? C222 C226 2.383(10) . . ? C222 H223 2.024(8) . . ? C223 C225 2.373(11) . . ? C223 C226 2.763(11) . . ? C223 H222 2.021(8) . . ? C223 H224 2.020(8) . . ? C224 C226 2.403(11) . . ? C224 H223 2.021(9) . . ? C224 H225 2.024(9) . . ? C225 H224 2.039(9) . . ? C225 H226 2.037(9) . . ? C226 H225 2.034(8) . . ? C231 C233 2.386(12) . . ? C231 C234 2.772(11) . . ? C231 C235 2.392(12) . . ? C231 H216 2.695(7) . . ? C231 H232 2.003(7) . . ? C231 H236 2.022(7) . . ? C232 C234 2.355(13) . . ? C232 C235 2.696(13) . . ? C232 C236 2.335(12) . . ? C232 H233 2.009(9) . . ? C233 C235 2.324(15) . . ? C233 C236 2.713(14) . . ? C233 H232 2.006(10) . . ? C233 H234 2.007(10) . . ? C234 C236 2.378(13) . . ? C234 H233 1.995(12) . . ? C234 H235 1.997(11) . . ? C235 H234 2.004(10) . . ? C235 H236 2.027(10) . . ? C236 H235 2.027(9) . . ? P3 C312 2.757(8) . . ? P3 C316 2.824(8) . . ? P3 C322 2.748(8) . . ? P3 C326 2.861(8) . . ? P3 C332 2.751(8) . . ? P3 C336 2.843(8) . . ? P3 H312 2.824(2) . . ? P3 H316 2.933(2) . . ? P3 H322 2.7909(19) . . ? P3 H326 2.986(2) . . ? P3 H332 2.806(2) . . ? P3 H336 2.966(2) . . ? C311 C313 2.397(11) . . ? C311 C314 2.795(11) . . ? C311 C315 2.398(11) . . ? C311 C321 2.850(9) . . ? C311 C331 2.885(9) . . ? C311 H312 2.013(7) . . ? C311 H316 2.039(7) . . ? C311 H336 2.680(6) . . ? C312 C314 2.384(12) . . ? C312 C315 2.719(12) . . ? C312 C316 2.362(11) . . ? C312 H313 2.021(8) . . ? C313 C315 2.368(12) . . ? C313 C316 2.747(11) . . ? C313 H312 2.008(9) . . ? C313 H314 2.039(9) . . ? C314 C316 2.400(11) . . ? C314 H313 2.035(9) . . ? C314 H315 2.018(9) . . ? C315 H314 2.041(9) . . ? C315 H316 2.026(9) . . ? C316 H315 2.018(8) . . ? C321 C323 2.417(11) . . ? C321 C324 2.773(11) . . ? C321 C325 2.406(11) . . ? C321 C331 2.840(10) . . ? C321 H322 2.015(6) . . ? C321 H326 2.044(6) . . ? C322 C324 2.368(12) . . ? C322 C325 2.731(11) . . ? C322 C326 2.369(10) . . ? C322 H323 2.047(8) . . ? C323 C325 2.380(11) . . ? C323 C326 2.768(11) . . ? C323 H322 2.030(9) . . ? C323 H324 2.014(9) . . ? C324 C326 2.389(11) . . ? C324 H323 2.025(9) . . ? C324 H325 2.023(8) . . ? C325 H324 2.017(9) . . ? C325 H326 2.038(9) . . ? C326 H325 2.036(8) . . ? C331 C333 2.405(11) . . ? C331 C334 2.776(10) . . ? C331 C335 2.401(11) . . ? C331 H326 2.608(7) . . ? C331 H332 2.031(8) . . ? C331 H336 2.040(7) . . ? C332 C334 2.372(11) . . ? C332 C335 2.733(12) . . ? C332 C336 2.379(11) . . ? C332 H326 2.689(8) . . ? C332 H333 2.019(8) . . ? C333 C335 2.377(13) . . ? C333 C336 2.756(12) . . ? C333 H332 2.011(8) . . ? C333 H334 2.031(9) . . ? C334 C336 2.383(12) . . ? C334 H333 2.033(11) . . ? C334 H335 2.013(11) . . ? C335 H334 2.015(10) . . ? C335 H336 2.028(9) . . ? C336 H335 2.022(8) . . ? H112 H113 2.3460(8) . . ? H113 H114 2.3259(7) . . ? H114 H115 2.2973(7) . . ? H115 H116 2.3224(8) . . ? H122 H123 2.3409(9) . . ? H123 H124 2.3144(5) . . ? H124 H125 2.2830(3) . . ? H125 H126 2.3339(9) . . ? H132 H133 2.3156(4) . . ? H133 H134 2.3181(4) . . ? H134 H135 2.3235(8) . . ? H135 H136 2.3223(4) . . ? H212 H213 2.3416(8) . . ? H213 H214 2.3223(4) . . ? H214 H215 2.3204(5) . . ? H215 H216 2.3450(8) . . ? H222 H223 2.3171(6) . . ? H223 H224 2.3208(6) . . ? H224 H225 2.3307(6) . . ? H225 H226 2.3365(6) . . ? H232 H233 2.2973(4) . . ? H233 H234 2.3031(9) . . ? H234 H235 2.2974(5) . . ? H235 H236 2.3181(4) . . ? H312 H313 2.3003(7) . . ? H313 H314 2.3440(5) . . ? H314 H315 2.3344(7) . . ? H315 H316 2.3174(7) . . ? H322 H323 2.3376(6) . . ? H323 H324 2.3227(7) . . ? H324 H325 2.3144(4) . . ? H325 H326 2.3381(6) . . ? H332 H333 2.3096(5) . . ? H333 H334 2.3370(7) . . ? H334 H335 2.3107(6) . . ? H335 H336 2.3223(5) . . ? 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 N C Ag 175.7(8) . . . ? C Ag P1 100.4(2) . . . ? C Ag P2 117.0(2) . . . ? C Ag P3 114.3(2) . . . ? P1 Ag P2 104.89(7) . . . ? P1 Ag P3 100.97(6) . . . ? P2 Ag P3 115.87(7) . . . ? Ag P1 C111 109.8(2) . . . ? Ag P1 C121 108.2(3) . . . ? Ag P1 C131 130.0(3) . . . ? C111 P1 C121 99.8(3) . . . ? C111 P1 C131 103.0(4) . . . ? C121 P1 C131 102.0(4) . . . ? P1 C111 C112 117.7(6) . . . ? P1 C111 C116 123.6(6) . . . ? C112 C111 C116 118.7(7) . . . ? C111 C112 C113 120.9(8) . . . ? C111 C112 H112 119.4(8) . . . ? C113 C112 H112 119.6(8) . . . ? C112 C113 C114 118.9(8) . . . ? C112 C113 H113 120.6(9) . . . ? C114 C113 H113 120.5(9) . . . ? C113 C114 C115 120.7(8) . . . ? C113 C114 H114 120.2(9) . . . ? C115 C114 H114 119.1(10) . . . ? C114 C115 C116 120.2(8) . . . ? C114 C115 H115 120.4(9) . . . ? C116 C115 H115 119.4(8) . . . ? C111 C116 C115 120.5(7) . . . ? C111 C116 H116 119.8(8) . . . ? C115 C116 H116 119.8(8) . . . ? P1 C121 C122 116.4(6) . . . ? P1 C121 C126 125.4(7) . . . ? C122 C121 C126 118.2(8) . . . ? C121 C122 C123 120.3(8) . . . ? C121 C122 H122 119.6(9) . . . ? C123 C122 H122 120.2(9) . . . ? C122 C123 C124 119.3(9) . . . ? C122 C123 H123 120.5(10) . . . ? C124 C123 H123 120.2(10) . . . ? C123 C124 C125 121.6(10) . . . ? C123 C124 H124 119.8(12) . . . ? C125 C124 H124 118.6(11) . . . ? C124 C125 C126 118.7(10) . . . ? C124 C125 H125 120.9(12) . . . ? C126 C125 H125 120.4(12) . . . ? C121 C126 C125 121.9(9) . . . ? C121 C126 H126 119.4(9) . . . ? C125 C126 H126 118.7(9) . . . ? P1 C131 C132 118.4(6) . . . ? P1 C131 C136 125.1(6) . . . ? C132 C131 C136 116.5(7) . . . ? C131 C132 C133 121.7(8) . . . ? C131 C132 H132 119.1(8) . . . ? C133 C132 H132 119.2(9) . . . ? C132 C133 C134 120.3(8) . . . ? C132 C133 H133 119.6(11) . . . ? C134 C133 H133 120.1(10) . . . ? C133 C134 C135 119.9(9) . . . ? C133 C134 H134 120.0(10) . . . ? C135 C134 H134 120.1(10) . . . ? C134 C135 C136 119.9(9) . . . ? C134 C135 H135 120.2(10) . . . ? C136 C135 H135 119.9(10) . . . ? C131 C136 C135 121.7(8) . . . ? C131 C136 H136 119.2(9) . . . ? C135 C136 H136 119.0(10) . . . ? Ag P2 C211 112.3(2) . . . ? Ag P2 C221 119.3(2) . . . ? Ag P2 C231 114.2(2) . . . ? C211 P2 C221 102.2(3) . . . ? C211 P2 C231 104.3(3) . . . ? C221 P2 C231 102.7(3) . . . ? P2 C211 C212 117.3(6) . . . ? P2 C211 C216 123.1(5) . . . ? C212 C211 C216 119.5(7) . . . ? C211 C212 C213 119.4(7) . . . ? C211 C212 H212 120.4(8) . . . ? C213 C212 H212 120.2(8) . . . ? C212 C213 C214 120.9(8) . . . ? C212 C213 H213 119.5(9) . . . ? C214 C213 H213 119.6(9) . . . ? C213 C214 C215 119.6(8) . . . ? C213 C214 H214 119.9(8) . . . ? C215 C214 H214 120.5(9) . . . ? C214 C215 C216 120.2(8) . . . ? C214 C215 H215 119.8(9) . . . ? C216 C215 H215 120.0(8) . . . ? C211 C216 C215 120.3(7) . . . ? C211 C216 H216 119.8(7) . . . ? C215 C216 H216 119.9(8) . . . ? P2 C221 C222 118.7(5) . . . ? P2 C221 C226 122.8(6) . . . ? C222 C221 C226 118.4(7) . . . ? C221 C222 C223 121.1(7) . . . ? C221 C222 H222 119.5(7) . . . ? C223 C222 H222 119.4(8) . . . ? C222 C223 C224 120.0(7) . . . ? C222 C223 H223 119.9(8) . . . ? C224 C223 H223 120.1(8) . . . ? C223 C224 C225 119.6(7) . . . ? C223 C224 H224 119.9(9) . . . ? C225 C224 H224 120.5(8) . . . ? C224 C225 C226 120.8(7) . . . ? C224 C225 H225 119.3(8) . . . ? C226 C225 H225 120.0(8) . . . ? C221 C226 C225 120.0(7) . . . ? C221 C226 H226 120.0(7) . . . ? C225 C226 H226 120.0(7) . . . ? P2 C231 C232 119.1(6) . . . ? P2 C231 C236 123.5(6) . . . ? C232 C231 C236 117.1(7) . . . ? C231 C232 C233 121.9(8) . . . ? C231 C232 H232 118.8(8) . . . ? C233 C232 H232 119.3(9) . . . ? C232 C233 C234 120.6(9) . . . ? C232 C233 H233 119.7(10) . . . ? C234 C233 H233 119.7(9) . . . ? C233 C234 C235 119.0(9) . . . ? C233 C234 H234 120.8(10) . . . ? C235 C234 H234 120.2(11) . . . ? C234 C235 C236 120.9(9) . . . ? C234 C235 H235 119.7(10) . . . ? C236 C235 H235 119.5(10) . . . ? C231 C236 C235 120.4(8) . . . ? C231 C236 H236 120.2(8) . . . ? C235 C236 H236 119.4(9) . . . ? Ag P3 C311 114.7(2) . . . ? Ag P3 C321 114.8(2) . . . ? Ag P3 C331 115.4(2) . . . ? C311 P3 C321 102.7(3) . . . ? C311 P3 C331 105.3(3) . . . ? C321 P3 C331 102.3(3) . . . ? P3 C311 C312 119.4(5) . . . ? P3 C311 C316 122.9(5) . . . ? C312 C311 C316 117.6(7) . . . ? C311 C312 C313 122.3(7) . . . ? C311 C312 H312 119.1(8) . . . ? C313 C312 H312 118.6(8) . . . ? C312 C313 C314 120.1(8) . . . ? C312 C313 H313 119.9(9) . . . ? C314 C313 H313 120.0(8) . . . ? C313 C314 C315 118.1(8) . . . ? C313 C314 H314 120.6(9) . . . ? C315 C314 H314 121.3(9) . . . ? C314 C315 C316 121.5(8) . . . ? C314 C315 H315 119.1(9) . . . ? C316 C315 H315 119.4(8) . . . ? C311 C316 C315 120.3(7) . . . ? C311 C316 H316 119.7(7) . . . ? C315 C316 H316 120.0(7) . . . ? P3 C321 C322 117.4(5) . . . ? P3 C321 C326 124.5(5) . . . ? C322 C321 C326 118.0(7) . . . ? C321 C322 C323 122.3(7) . . . ? C321 C322 H322 118.9(8) . . . ? C323 C322 H322 118.8(7) . . . ? C322 C323 C324 118.5(7) . . . ? C322 C323 H323 120.9(8) . . . ? C324 C323 H323 120.7(9) . . . ? C323 C324 C325 120.8(8) . . . ? C323 C324 H324 119.7(8) . . . ? C325 C324 H324 119.5(8) . . . ? C324 C325 C326 120.2(7) . . . ? C324 C325 H325 119.9(9) . . . ? C326 C325 H325 119.9(8) . . . ? C321 C326 C325 120.1(7) . . . ? C321 C326 H326 119.9(8) . . . ? C325 C326 H326 120.0(7) . . . ? P3 C331 C332 117.8(5) . . . ? P3 C331 C336 124.4(6) . . . ? C332 C331 C336 117.7(6) . . . ? C331 C332 C333 121.8(7) . . . ? C331 C332 H332 119.0(7) . . . ? C333 C332 H332 119.1(8) . . . ? C332 C333 C334 119.5(8) . . . ? C332 C333 H333 120.3(9) . . . ? C334 C333 H333 120.2(8) . . . ? C333 C334 C335 119.9(8) . . . ? C333 C334 H334 120.2(10) . . . ? C335 C334 H334 120.0(10) . . . ? C334 C335 C336 120.7(8) . . . ? C334 C335 H335 119.7(9) . . . ? C336 C335 H335 119.6(9) . . . ? C331 C336 C335 120.3(8) . . . ? C331 C336 H336 119.7(7) . . . ? C335 C336 H336 120.0(8) . . . ? 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 ? _reflns_limit_h_max ? _reflns_limit_k_min ? _reflns_limit_k_max ? _reflns_limit_l_min ? _reflns_limit_l_max ? _reflns_number_total ? #ActaC _reflns_number_observed ? #ActaC _reflns_observed_criterion refl_observed_if_F____>_***__sigma(F___) _reflns_d_resolution_high ? _reflns_d_resolution_low ? loop_ _reflns_scale_group_code _reflns_scale_meas_F ? 5.1945 #=END