data_8000044
_journal_name_full             'Chemistry Letters'
_journal_year                  2005
_journal_volume                34
_journal_page_first            578
_publ_section_title
;
 Synthesis and Structure of a Molecular Metal Propeller with Three
 Leaves, a Tetranuclear Silver(I) Cluster Formed by 2-Mercaptobenzoate
 and Triphenylphosphine Ligands
;
_chemical_formula_sum 'C102 H86 Ag4 O9 P4 S4'
loop_
_publ_author_name
 'Ryusuke Noguchi'
 'Akihiro Hara'
 'Akiyoshi Sugie'
 'Sawako Tanabe'
 'Kenji Nomiya'
_cell_measurement_temperature  90(2)
_diffrn_ambient_temperature    90(2)
_cell_length_a       37.626(8)
_cell_length_b       29.464(6)
_cell_length_c       25.400(5)
_cell_angle_alpha    90.00
_cell_angle_beta     132.258(3)
_cell_angle_gamma    90.00
_cell_volume         20840.98
_symmetry_space_group_name_H-M    'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 1 0.103675(16) 0.655419(16) 0.09814(2) 1 0.03059(12) Uani d .
Ag2 1 0.169374(16) 0.519653(14) 0.15975(2) 1 0.02834(12) Uani d .
Ag3 1 0.208317(16) 0.625236(14) 0.11727(2) 1 0.02755(12) Uani d .
Ag4 1 0.240083(16) 0.642128(15) 0.27984(2) 1 0.02709(12) Uani d .
C11 1 0.0811(2) 0.6012(2) -0.0653(3) 1 0.0304(12) Uani d .
C12 1 0.0940(2) 0.5725(2) -0.0118(3) 1 0.0290(12) Uani d .
C13 1 0.0747(2) 0.5285(2) -0.0291(3) 1 0.0324(13) Uani d .
H13 1 0.0844 0.5085 0.0078 1 0.039 Uiso calc R
C14 1 0.0419(3) 0.5137(3) -0.0989(4) 1 0.0433(16) Uani d .
H14 1 0.0293 0.4838 -0.1097 1 0.052 Uiso calc R
C15 1 0.0276(3) 0.5433(3) -0.1533(4) 1 0.0482(18) Uani d .
H15 1 0.0038 0.5341 -0.2016 1 0.058 Uiso calc R
C16 1 0.0477(2) 0.5857(3) -0.1370(3) 1 0.0400(15) Uani d .
H16 1 0.0393 0.6049 -0.1740 1 0.048 Uiso calc R
C17 1 0.0999(2) 0.6479(2) -0.0532(3) 1 0.0333(13) Uani d .
C21 1 0.3191(3) 0.5029(2) 0.3778(4) 1 0.0445(17) Uani d .
C22 1 0.2738(3) 0.5283(2) 0.3355(3) 1 0.0358(14) Uani d .
C23 1 0.2507(3) 0.5326(2) 0.3605(4) 1 0.051(2) Uani d .
H23 1 0.2214 0.5488 0.3337 1 0.061 Uiso calc R
C24 1 0.2707(4) 0.5131(3) 0.4250(5) 1 0.068(3) Uani d .
H24 1 0.2544 0.5150 0.4416 1 0.082 Uiso calc R
C25 1 0.3153(4) 0.4905(3) 0.4660(5) 1 0.062(2) Uani d .
H25 1 0.3296 0.4788 0.5113 1 0.075 Uiso calc R
C26 1 0.3380(3) 0.4852(3) 0.4425(4) 1 0.0534(19) Uani d .
H26 1 0.3675 0.4690 0.4707 1 0.064 Uiso calc R
C27 1 0.3465(3) 0.4953(3) 0.3560(5) 1 0.0527(19) Uani d .
C31 1 0.2989(2) 0.7219(2) 0.1789(3) 1 0.0306(12) Uani d .
C32 1 0.2900(2) 0.70431(19) 0.2203(3) 1 0.0254(11) Uani d .
C33 1 0.3299(2) 0.6936(2) 0.2919(3) 1 0.0286(12) Uani d .
H33 1 0.3246 0.6807 0.3203 1 0.034 Uiso calc R
C34 1 0.3765(2) 0.7011(2) 0.3220(4) 1 0.0374(14) Uani d .
H34 1 0.4028 0.6938 0.3705 1 0.045 Uiso calc R
C35 1 0.3848(3) 0.7198(3) 0.2799(4) 1 0.0436(16) Uani d .
H35 1 0.4166 0.7258 0.3001 1 0.052 Uiso calc R
C36 1 0.3468(3) 0.7293(3) 0.2101(4) 1 0.0455(17) Uani d .
H36 1 0.3526 0.7412 0.1817 1 0.055 Uiso calc R
C37 1 0.2599(3) 0.7343(2) 0.1012(4) 1 0.0396(15) Uani d .
C41 1 0.1324(2) 0.7023(2) 0.2959(3) 1 0.0386(15) Uani d .
C42 1 0.1484(2) 0.6976(2) 0.2594(3) 1 0.0328(13) Uani d .
C43 1 0.1638(3) 0.7368(2) 0.2472(4) 1 0.0418(15) Uani d .
H43 1 0.1754 0.7335 0.2238 1 0.050 Uiso calc R
C44 1 0.1626(4) 0.7801(3) 0.2684(5) 1 0.060(2) Uani d .
H44 1 0.1720 0.8058 0.2577 1 0.072 Uiso calc R
C45 1 0.1475(4) 0.7850(3) 0.3051(5) 1 0.068(3) Uani d .
H45 1 0.1475 0.8140 0.3215 1 0.081 Uiso calc R
C46 1 0.1324(3) 0.7465(3) 0.3174(4) 1 0.054(2) Uani d .
H46 1 0.1215 0.7502 0.3417 1 0.065 Uiso calc R
C47 1 0.1148(3) 0.6669(3) 0.3124(4) 1 0.0537(19) Uani d .
C101 1 0.0116(2) 0.7070(2) -0.0716(3) 1 0.0357(14) Uani d .
C102 1 -0.0120(3) 0.6676(3) -0.1044(4) 1 0.0509(18) Uani d .
H102 1 -0.0123 0.6441 -0.0790 1 0.061 Uiso calc R
C103 1 -0.0361(3) 0.6618(4) -0.1764(5) 1 0.072(3) Uani d .
H103 1 -0.0531 0.6344 -0.1996 1 0.086 Uiso calc R
C104 1 -0.0357(3) 0.6947(4) -0.2141(4) 1 0.073(3) Uani d .
H104 1 -0.0528 0.6903 -0.2631 1 0.087 Uiso calc R
C105 1 -0.0116(3) 0.7321(4) -0.1819(4) 1 0.069(3) Uani d .
H105 1 -0.0104 0.7544 -0.2077 1 0.083 Uiso calc R
C106 1 0.0125(2) 0.7403(3) -0.1102(4) 1 0.0476(18) Uani d .
H106 1 0.0293 0.7680 -0.0881 1 0.057 Uiso calc R
C107 1 0.0021(2) 0.7182(2) 0.0322(3) 1 0.0348(14) Uani d .
C108 1 -0.0471(2) 0.7190(2) -0.0249(4) 1 0.0377(14) Uani d .
H108 1 -0.0592 0.7209 -0.0718 1 0.045 Uiso calc R
C109 1 -0.0791(3) 0.7169(3) -0.0148(4) 1 0.0483(18) Uani d .
H109 1 -0.1127 0.7163 -0.0542 1 0.058 Uiso calc R
C110 1 -0.0607(3) 0.7159(3) 0.0537(5) 1 0.056(2) Uani d .
H110 1 -0.0823 0.7157 0.0612 1 0.068 Uiso calc R
C111 1 -0.0114(3) 0.7152(3) 0.1125(5) 1 0.0533(19) Uani d .
H111 1 0.0005 0.7136 0.1594 1 0.064 Uiso calc R
C112 1 0.0195(3) 0.7168(3) 0.1012(4) 1 0.0432(16) Uani d .
H112 1 0.0532 0.7170 0.1407 1 0.052 Uiso calc R
C113 1 0.0733(2) 0.7696(2) 0.0441(4) 1 0.0388(15) Uani d .
C114 1 0.0516(3) 0.8091(3) 0.0417(5) 1 0.067(2) Uani d .
H114 1 0.0218 0.8078 0.0303 1 0.080 Uiso calc R
C115 1 0.0750(4) 0.8506(3) 0.0565(7) 1 0.085(3) Uani d .
H115 1 0.0618 0.8773 0.0588 1 0.102 Uiso calc R
C116 1 0.1152(3) 0.8543(3) 0.0678(6) 1 0.069(3) Uani d .
H116 1 0.1288 0.8832 0.0741 1 0.083 Uiso calc R
C117 1 0.1364(3) 0.8156(3) 0.0701(4) 1 0.056(2) Uani d .
H117 1 0.1654 0.8175 0.0795 1 0.067 Uiso calc R
C118 1 0.1154(2) 0.7734(2) 0.0586(4) 1 0.0429(16) Uani d .
H118 1 0.1306 0.7467 0.0610 1 0.051 Uiso calc R
C201 1 0.0786(2) 0.43388(19) 0.0769(3) 1 0.0274(12) Uani d .
C202 1 0.0810(2) 0.4103(2) 0.0321(3) 1 0.0355(14) Uani d .
H202 1 0.1113 0.4023 0.0480 1 0.043 Uiso calc R
C203 1 0.0387(2) 0.3983(2) -0.0367(4) 1 0.0393(15) Uani d .
H203 1 0.0405 0.3821 -0.0672 1 0.047 Uiso calc R
C204 1 -0.0053(2) 0.4101(2) -0.0599(4) 1 0.0377(14) Uani d .
H204 1 -0.0340 0.4020 -0.1065 1 0.045 Uiso calc R
C205 1 -0.0079(2) 0.4335(2) -0.0156(4) 1 0.0376(14) Uani d .
H205 1 -0.0383 0.4416 -0.0319 1 0.045 Uiso calc R
C206 1 0.0336(2) 0.4454(2) 0.0525(3) 1 0.0341(13) Uani d .
H206 1 0.0314 0.4614 0.0828 1 0.041 Uiso calc R
C207 1 0.1202(2) 0.4642(2) 0.2162(3) 1 0.0308(13) Uani d .
C208 1 0.1234(2) 0.4317(2) 0.2590(3) 1 0.0385(15) Uani d .
H208 1 0.1347 0.4021 0.2619 1 0.046 Uiso calc R
C209 1 0.1104(3) 0.4416(3) 0.2976(4) 1 0.0478(18) Uani d .
H209 1 0.1129 0.4191 0.3268 1 0.057 Uiso calc R
C210 1 0.0935(3) 0.4852(3) 0.2930(4) 1 0.0455(17) Uani d .
H210 1 0.0841 0.4921 0.3187 1 0.055 Uiso calc R
C211 1 0.0903(3) 0.5176(3) 0.2523(4) 1 0.0475(18) Uani d .
H211 1 0.0789 0.5470 0.2498 1 0.057 Uiso calc R
C212 1 0.1040(2) 0.5080(2) 0.2134(4) 1 0.0419(16) Uani d .
H212 1 0.1023 0.5310 0.1855 1 0.050 Uiso calc R
C213 1 0.1717(2) 0.4022(2) 0.2013(3) 1 0.0276(12) Uani d .
C214 1 0.2217(2) 0.4075(2) 0.2483(3) 1 0.0305(12) Uani d .
H214 1 0.2351 0.4370 0.2581 1 0.037 Uiso calc R
C215 1 0.2518(2) 0.3700(2) 0.2808(4) 1 0.0388(15) Uani d .
H215 1 0.2856 0.3738 0.3128 1 0.047 Uiso calc R
C216 1 0.2318(2) 0.3263(2) 0.2660(3) 1 0.0351(14) Uani d .
H216 1 0.2523 0.3006 0.2880 1 0.042 Uiso calc R
C217 1 0.1832(2) 0.3207(2) 0.2203(3) 1 0.0340(14) Uani d .
H217 1 0.1700 0.2912 0.2104 1 0.041 Uiso calc R
C218 1 0.1528(2) 0.3588(2) 0.1877(3) 1 0.0301(12) Uani d .
H218 1 0.1190 0.3548 0.1561 1 0.036 Uiso calc R
C301 1 0.3051(3) 0.5654(2) 0.1495(4) 1 0.0418(16) Uani d .
C302 1 0.3252(3) 0.5266(3) 0.1456(5) 1 0.0502(19) Uani d .
H302 1 0.3056 0.5057 0.1074 1 0.060 Uiso calc R
C303 1 0.3743(4) 0.5195(3) 0.1986(6) 1 0.073(3) Uani d .
H303 1 0.3883 0.4937 0.1962 1 0.088 Uiso calc R
C304 1 0.4031(4) 0.5495(4) 0.2550(7) 1 0.099(4) Uani d .
H304 1 0.4363 0.5433 0.2924 1 0.119 Uiso calc R
C305 1 0.3832(4) 0.5884(4) 0.2566(7) 1 0.116(5) Uani d .
H305 1 0.4032 0.6107 0.2923 1 0.140 Uiso calc R
C306 1 0.3333(3) 0.5946(3) 0.2048(5) 1 0.074(3) Uani d .
H306 1 0.3191 0.6196 0.2086 1 0.089 Uiso calc R
C307 1 0.2132(3) 0.5213(2) 0.0534(4) 1 0.0343(14) Uani d .
C308 1 0.1786(3) 0.5090(2) -0.0177(4) 1 0.0461(17) Uani d .
H308 1 0.1708 0.5295 -0.0531 1 0.055 Uiso calc R
C309 1 0.1555(3) 0.4679(2) -0.0384(4) 1 0.0481(18) Uani d .
H309 1 0.1325 0.4598 -0.0873 1 0.058 Uiso calc R
C310 1 0.1663(3) 0.4383(2) 0.0139(4) 1 0.0419(16) Uani d .
H310 1 0.1501 0.4100 0.0006 1 0.050 Uiso calc R
C311 1 0.2002(3) 0.4503(2) 0.0842(4) 1 0.0368(15) Uani d .
H311 1 0.2075 0.4300 0.1194 1 0.044 Uiso calc R
C312 1 0.2241(3) 0.4911(2) 0.1048(4) 1 0.0383(15) Uani d .
H312 1 0.2478 0.4988 0.1539 1 0.046 Uiso calc R
C313 1 0.2309(3) 0.6019(2) 0.0070(4) 1 0.0465(18) Uani d .
C314 1 0.2021(3) 0.6383(3) -0.0265(4) 1 0.0512(19) Uani d .
H314 1 0.1869 0.6503 -0.0113 1 0.061 Uiso calc R
C315 1 0.1942(3) 0.6589(3) -0.0843(5) 1 0.061(2) Uani d .
H315 1 0.1740 0.6848 -0.1073 1 0.073 Uiso calc R
C316 1 0.2149(4) 0.6420(3) -0.1053(5) 1 0.060(2) Uani d .
H316 1 0.2120 0.6573 -0.1410 1 0.072 Uiso calc R
C317 1 0.2400(5) 0.6038(4) -0.0775(6) 1 0.088(3) Uani d .
H317 1 0.2525 0.5908 -0.0965 1 0.105 Uiso calc R
C318 1 0.2484(4) 0.5822(3) -0.0212(5) 1 0.070(3) Uani d .
H318 1 0.2658 0.5545 -0.0024 1 0.084 Uiso calc R
C401 1 0.2897(2) 0.63264(19) 0.4615(3) 1 0.0304(13) Uani d .
C402 1 0.2432(2) 0.6286(2) 0.4332(3) 1 0.0309(13) Uani d .
H402 1 0.2175 0.6403 0.3871 1 0.037 Uiso calc R
C403 1 0.2332(3) 0.6077(2) 0.4712(4) 1 0.0392(15) Uani d .
H403 1 0.2010 0.6054 0.4512 1 0.047 Uiso calc R
C404 1 0.2697(3) 0.5907(2) 0.5370(4) 1 0.0452(17) Uani d .
H404 1 0.2629 0.5763 0.5630 1 0.054 Uiso calc R
C405 1 0.3166(3) 0.5943(3) 0.5663(4) 1 0.0548(19) Uani d .
H405 1 0.3420 0.5819 0.6120 1 0.066 Uiso calc R
C406 1 0.3267(3) 0.6159(3) 0.5292(4) 1 0.0481(18) Uani d .
H406 1 0.3590 0.6193 0.5503 1 0.058 Uiso calc R
C407 1 0.2981(2) 0.7212(2) 0.4268(3) 1 0.0283(12) Uani d .
C408 1 0.3006(3) 0.7356(2) 0.4811(4) 1 0.0495(19) Uani d .
H408 1 0.3048 0.7138 0.5126 1 0.059 Uiso calc R
C409 1 0.2971(3) 0.7815(3) 0.4903(4) 1 0.055(2) Uani d .
H409 1 0.2980 0.7906 0.5271 1 0.067 Uiso calc R
C410 1 0.2924(3) 0.8130(2) 0.4476(4) 1 0.0454(17) Uani d .
H410 1 0.2913 0.8443 0.4555 1 0.054 Uiso calc R
C411 1 0.2892(3) 0.7998(2) 0.3919(4) 1 0.0423(16) Uani d .
H411 1 0.2854 0.8219 0.3613 1 0.051 Uiso calc R
C412 1 0.2915(2) 0.7543(2) 0.3815(3) 1 0.0323(13) Uani d .
H412 1 0.2884 0.7453 0.3427 1 0.039 Uiso calc R
C413 1 0.3605(2) 0.6496(2) 0.4524(3) 1 0.0316(13) Uani d .
C414 1 0.3997(3) 0.6741(3) 0.5112(4) 1 0.0451(16) Uani d .
H414 1 0.3950 0.6989 0.5297 1 0.054 Uiso calc R
C415 1 0.4460(3) 0.6611(3) 0.5421(4) 1 0.059(2) Uani d .
H415 1 0.4729 0.6771 0.5823 1 0.071 Uiso calc R
C416 1 0.4531(3) 0.6252(3) 0.5151(5) 1 0.066(3) Uani d .
H416 1 0.4848 0.6165 0.5374 1 0.079 Uiso calc R
C417 1 0.4152(3) 0.6024(3) 0.4572(5) 1 0.055(2) Uani d .
H417 1 0.4205 0.5781 0.4385 1 0.066 Uiso calc R
C418 1 0.3692(2) 0.6141(2) 0.4254(4) 1 0.0420(16) Uani d .
H418 1 0.3429 0.5979 0.3845 1 0.050 Uiso calc R
C1S 1 0.3883(9) 0.7111(10) 0.1034(14) 0.80 0.193(15) Uani d P
C2S 1 0.3513(8) 0.6706(6) 0.0765(13) 0.80 0.137(8) Uani d P
C3S 1 0.0076(4) 0.5983(7) 0.2815(6) 0.75 0.117(8) Uani d P
O11 1 0.12499(16) 0.66809(15) 0.0028(2) 1 0.0358(10) Uani d .
O12 1 0.08765(19) 0.66767(18) -0.1109(2) 1 0.0493(13) Uani d .
H12 1 0.0642 0.6538 -0.1475 1 0.074 Uiso calc R
O21 1 0.3360(2) 0.5150(2) 0.3026(4) 1 0.0664(16) Uani d .
O22 1 0.3826(3) 0.4686(3) 0.3948(5) 1 0.091(2) Uani d .
H22 1 0.4067 0.4812 0.4054 1 0.137 Uiso calc R
O31 1 0.2744(2) 0.7360(3) 0.0672(3) 1 0.0702(18) Uani d .
H31 1 0.3039 0.7420 0.0959 1 0.105 Uiso calc R
O32 1 0.2178(2) 0.7419(2) 0.0720(3) 1 0.0565(14) Uani d .
O41 1 0.1145(2) 0.6242(2) 0.2957(3) 1 0.0623(16) Uani d .
H41 1 0.1300 0.6221 0.2829 1 0.093 Uiso calc R
O42 1 0.1006(2) 0.6738(2) 0.3430(4) 1 0.0742(18) Uani d .
O1S 1 0.3670(3) 0.7553(2) 0.0793(3) 0.80 0.0468(16) Uani d P
O2S 1 0.0552(4) 0.6035(5) 0.3479(7) 0.75 0.119(4) Uani d P
P1 1 0.04634(6) 0.71387(5) 0.02353(9) 1 0.0315(3) Uani d .
P2 1 0.13467(5) 0.45286(5) 0.16273(8) 1 0.0259(3) Uani d .
P3 1 0.24131(7) 0.57759(5) 0.08249(9) 1 0.0346(4) Uani d .
P4 1 0.29845(5) 0.66179(5) 0.40769(8) 1 0.0251(3) Uani d .
S1 1 0.13332(5) 0.58702(5) 0.07994(7) 1 0.0256(3) Uani d .
S2 1 0.24954(5) 0.55720(5) 0.25636(7) 1 0.0246(3) Uani d .
S3 1 0.23225(5) 0.69422(5) 0.18884(7) 1 0.0252(3) Uani d .
S4 1 0.15195(5) 0.64485(5) 0.22893(8) 1 0.0297(3) Uani d .
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 0.0287(2) 0.0301(2) 0.0250(2) -0.00153(17) 0.0148(2) 0.00512(17)
Ag2 0.0272(2) 0.0224(2) 0.0275(2) -0.00095(16) 0.0152(2) -0.00085(16)
Ag3 0.0318(2) 0.0240(2) 0.0260(2) -0.00378(16) 0.0191(2) -0.00126(17)
Ag4 0.0283(2) 0.0259(2) 0.0245(2) -0.00125(16) 0.0166(2) -0.00077(17)
C11 0.026(3) 0.040(3) 0.021(3) -0.002(2) 0.014(3) 0.003(2)
C12 0.025(3) 0.033(3) 0.026(3) -0.009(2) 0.016(3) -0.001(2)
C13 0.031(3) 0.039(3) 0.029(3) -0.008(3) 0.021(3) -0.005(3)
C14 0.045(4) 0.049(4) 0.040(4) -0.019(3) 0.030(4) -0.016(3)
C15 0.038(4) 0.073(5) 0.027(3) -0.013(3) 0.019(3) -0.007(4)
C16 0.033(3) 0.056(4) 0.024(3) -0.009(3) 0.016(3) -0.003(3)
C17 0.031(3) 0.041(4) 0.025(3) 0.005(3) 0.017(3) 0.006(3)
C21 0.048(4) 0.029(3) 0.028(3) 0.003(3) 0.014(3) -0.002(3)
C22 0.052(4) 0.018(3) 0.031(3) -0.003(2) 0.025(3) -0.003(3)
C23 0.092(6) 0.031(4) 0.062(5) 0.002(3) 0.065(5) 0.002(4)
C24 0.116(8) 0.050(5) 0.084(7) 0.005(5) 0.086(7) 0.012(5)
C25 0.080(6) 0.043(4) 0.064(5) 0.022(4) 0.048(5) 0.008(4)
C26 0.053(5) 0.044(4) 0.047(5) 0.004(3) 0.028(4) -0.003(4)
C27 0.042(4) 0.050(4) 0.061(5) -0.005(4) 0.033(4) 0.007(3)
C31 0.035(3) 0.029(3) 0.026(3) -0.001(2) 0.020(3) -0.008(2)
C32 0.029(3) 0.024(3) 0.023(3) -0.003(2) 0.018(3) -0.005(2)
C33 0.035(3) 0.029(3) 0.026(3) 0.000(2) 0.022(3) -0.003(2)
C34 0.034(3) 0.037(3) 0.035(4) -0.002(3) 0.021(3) -0.003(3)
C35 0.035(4) 0.050(4) 0.046(4) 0.000(3) 0.027(3) -0.009(3)
C36 0.053(4) 0.052(4) 0.041(4) -0.006(3) 0.035(4) -0.015(3)
C37 0.058(5) 0.029(3) 0.029(3) 0.000(3) 0.029(4) -0.010(3)
C41 0.037(4) 0.046(4) 0.030(3) -0.008(3) 0.021(3) 0.002(3)
C42 0.028(3) 0.033(3) 0.030(3) -0.004(2) 0.016(3) 0.005(2)
C43 0.053(4) 0.035(3) 0.039(4) 0.003(3) 0.031(4) 0.010(3)
C44 0.092(7) 0.036(4) 0.070(6) 0.003(4) 0.061(6) 0.009(4)
C45 0.103(8) 0.039(4) 0.083(7) -0.002(4) 0.072(7) 0.016(4)
C46 0.061(5) 0.063(5) 0.050(5) -0.011(4) 0.042(4) 0.006(4)
C47 0.051(5) 0.064(5) 0.055(5) -0.031(4) 0.040(4) -0.021(4)
C101 0.027(3) 0.043(4) 0.026(3) -0.003(3) 0.014(3) 0.003(3)
C102 0.038(4) 0.050(4) 0.049(4) -0.015(3) 0.023(4) -0.004(3)
C103 0.047(5) 0.084(6) 0.066(6) -0.043(5) 0.030(5) -0.006(4)
C104 0.039(4) 0.136(9) 0.024(4) -0.014(5) 0.014(4) 0.022(5)
C105 0.039(4) 0.127(9) 0.034(4) 0.015(5) 0.022(4) 0.024(5)
C106 0.029(3) 0.071(5) 0.033(4) 0.007(3) 0.017(3) 0.009(3)
C107 0.033(3) 0.029(3) 0.033(3) -0.002(2) 0.018(3) 0.005(2)
C108 0.037(3) 0.032(3) 0.036(4) 0.000(3) 0.021(3) 0.007(3)
C109 0.035(4) 0.048(4) 0.056(5) 0.003(4) 0.028(4) 0.009(3)
C110 0.062(5) 0.049(5) 0.076(6) 0.005(4) 0.054(5) 0.010(4)
C111 0.065(5) 0.053(5) 0.051(5) 0.001(4) 0.043(5) 0.009(4)
C112 0.039(4) 0.050(4) 0.037(4) 0.002(3) 0.024(3) 0.008(3)
C113 0.033(3) 0.030(3) 0.037(4) -0.007(3) 0.017(3) -0.002(3)
C114 0.054(5) 0.043(5) 0.088(7) -0.010(4) 0.042(5) 0.000(4)
C115 0.075(7) 0.036(4) 0.136(10) -0.025(5) 0.067(7) -0.001(4)
C116 0.052(5) 0.036(4) 0.092(7) -0.010(4) 0.037(5) -0.009(4)
C117 0.035(4) 0.049(5) 0.057(5) -0.009(4) 0.020(4) -0.009(3)
C118 0.032(3) 0.038(4) 0.035(4) -0.006(3) 0.012(3) 0.000(3)
C201 0.026(3) 0.024(3) 0.025(3) 0.002(2) 0.014(3) 0.000(2)
C202 0.031(3) 0.040(4) 0.034(3) -0.003(3) 0.021(3) 0.002(3)
C203 0.041(4) 0.038(4) 0.035(4) -0.006(3) 0.024(3) 0.000(3)
C204 0.034(3) 0.035(3) 0.029(3) -0.001(3) 0.015(3) -0.007(3)
C205 0.027(3) 0.048(4) 0.037(4) -0.002(3) 0.021(3) 0.001(3)
C206 0.030(3) 0.034(3) 0.037(4) -0.004(3) 0.022(3) -0.004(3)
C207 0.021(3) 0.035(3) 0.026(3) -0.007(2) 0.012(3) -0.002(2)
C208 0.043(4) 0.044(4) 0.029(3) 0.000(3) 0.024(3) 0.008(3)
C209 0.048(4) 0.067(5) 0.028(4) -0.001(3) 0.026(3) 0.005(4)
C210 0.037(4) 0.065(5) 0.036(4) -0.019(3) 0.025(3) -0.005(3)
C211 0.045(4) 0.039(4) 0.059(5) -0.018(3) 0.035(4) -0.005(3)
C212 0.039(4) 0.032(3) 0.059(5) -0.007(3) 0.034(4) 0.000(3)
C213 0.033(3) 0.027(3) 0.024(3) 0.003(2) 0.020(3) 0.003(2)
C214 0.035(3) 0.028(3) 0.028(3) 0.001(2) 0.021(3) -0.001(2)
C215 0.032(3) 0.043(4) 0.034(4) 0.010(3) 0.018(3) 0.009(3)
C216 0.045(4) 0.030(3) 0.031(3) 0.007(3) 0.026(3) 0.011(3)
C217 0.049(4) 0.023(3) 0.033(3) 0.000(2) 0.029(3) 0.002(3)
C218 0.032(3) 0.029(3) 0.029(3) -0.003(2) 0.020(3) -0.003(2)
C301 0.050(4) 0.033(3) 0.055(4) -0.002(3) 0.040(4) 0.003(3)
C302 0.058(5) 0.040(4) 0.074(6) -0.004(4) 0.054(5) 0.003(3)
C303 0.063(6) 0.052(5) 0.111(9) -0.002(5) 0.061(6) 0.013(4)
C304 0.054(6) 0.083(7) 0.134(10) -0.038(7) 0.053(7) -0.002(5)
C305 0.048(6) 0.069(7) 0.134(11) -0.040(7) 0.021(7) 0.008(5)
C306 0.053(5) 0.053(5) 0.087(7) -0.018(5) 0.035(5) 0.012(4)
C307 0.051(4) 0.023(3) 0.037(4) 0.000(2) 0.033(3) 0.008(3)
C308 0.057(5) 0.026(3) 0.037(4) 0.006(3) 0.024(4) 0.007(3)
C309 0.050(4) 0.029(3) 0.040(4) -0.001(3) 0.020(4) 0.009(3)
C310 0.043(4) 0.025(3) 0.061(5) 0.000(3) 0.036(4) 0.006(3)
C311 0.056(4) 0.028(3) 0.047(4) 0.004(3) 0.043(4) 0.007(3)
C312 0.052(4) 0.038(4) 0.039(4) -0.003(3) 0.036(4) 0.003(3)
C313 0.078(5) 0.030(3) 0.053(4) -0.003(3) 0.053(5) 0.003(3)
C314 0.057(5) 0.050(4) 0.050(5) 0.010(4) 0.037(4) 0.000(4)
C315 0.066(6) 0.058(5) 0.058(5) 0.012(4) 0.042(5) -0.009(4)
C316 0.095(7) 0.044(4) 0.058(5) 0.011(4) 0.059(6) 0.008(4)
C317 0.125(10) 0.106(9) 0.064(6) 0.012(6) 0.077(7) 0.016(7)
C318 0.103(8) 0.070(6) 0.069(6) 0.010(5) 0.071(6) 0.025(5)
C401 0.042(4) 0.022(3) 0.029(3) 0.000(2) 0.025(3) -0.006(2)
C402 0.039(3) 0.027(3) 0.035(3) 0.004(2) 0.028(3) 0.002(2)
C403 0.048(4) 0.036(3) 0.047(4) 0.010(3) 0.037(4) 0.007(3)
C404 0.067(5) 0.042(4) 0.047(4) 0.013(3) 0.047(4) 0.001(3)
C405 0.052(5) 0.061(5) 0.041(4) 0.025(4) 0.027(4) 0.004(4)
C406 0.037(4) 0.058(5) 0.034(4) 0.016(3) 0.018(3) -0.005(3)
C407 0.030(3) 0.027(3) 0.023(3) -0.003(2) 0.016(3) -0.009(2)
C408 0.086(6) 0.032(4) 0.037(4) -0.006(3) 0.044(4) -0.013(4)
C409 0.100(7) 0.037(4) 0.049(5) -0.012(3) 0.059(5) -0.017(4)
C410 0.066(5) 0.025(3) 0.056(5) -0.014(3) 0.046(4) -0.011(3)
C411 0.061(5) 0.030(3) 0.053(4) 0.004(3) 0.045(4) -0.002(3)
C412 0.046(4) 0.025(3) 0.035(3) 0.002(2) 0.031(3) 0.001(3)
C413 0.028(3) 0.028(3) 0.028(3) 0.010(2) 0.015(3) -0.005(2)
C414 0.038(4) 0.040(4) 0.046(4) 0.001(3) 0.024(3) -0.010(3)
C415 0.031(4) 0.062(5) 0.048(5) -0.002(4) 0.011(4) -0.020(3)
C416 0.040(4) 0.048(5) 0.085(7) 0.021(4) 0.032(5) 0.005(4)
C417 0.038(4) 0.036(4) 0.077(6) 0.009(4) 0.033(4) 0.005(3)
C418 0.034(4) 0.033(3) 0.047(4) 0.006(3) 0.023(3) 0.001(3)
C1S 0.19(2) 0.29(3) 0.21(2) -0.19(3) 0.19(2) -0.19(2)
C2S 0.165(18) 0.113(13) 0.22(2) -0.091(15) 0.163(19) -0.082(13)
C3S 0.014(5) 0.23(2) 0.052(7) 0.074(10) 0.001(5) -0.018(8)
O11 0.039(2) 0.035(2) 0.026(2) 0.0027(18) 0.019(2) 0.0003(19)
O12 0.052(3) 0.053(3) 0.025(2) 0.009(2) 0.018(2) 0.005(2)
O21 0.056(4) 0.076(4) 0.070(4) 0.008(3) 0.043(3) 0.020(3)
O22 0.060(4) 0.091(5) 0.106(6) 0.030(5) 0.049(4) 0.034(4)
O31 0.064(4) 0.116(5) 0.035(3) -0.006(3) 0.035(3) -0.032(4)
O32 0.047(3) 0.079(4) 0.030(3) 0.011(3) 0.020(3) 0.002(3)
O41 0.072(4) 0.067(4) 0.084(4) -0.038(3) 0.067(4) -0.037(3)
O42 0.090(4) 0.085(4) 0.095(5) -0.049(4) 0.082(4) -0.041(4)
O1S 0.066(4) 0.034(3) 0.041(4) 0.012(3) 0.036(3) 0.003(3)
O2S 0.093(8) 0.152(12) 0.116(9) 0.048(8) 0.071(8) 0.005(8)
P1 0.0274(8) 0.0287(8) 0.0267(8) -0.0018(6) 0.0134(7) 0.0037(6)
P2 0.0253(7) 0.0223(7) 0.0266(8) -0.0012(6) 0.0160(7) 0.0001(6)
P3 0.0554(11) 0.0240(7) 0.0384(9) -0.0001(6) 0.0372(9) 0.0047(7)
P4 0.0287(7) 0.0220(7) 0.0218(7) 0.0009(5) 0.0159(6) -0.0051(6)
S1 0.0259(7) 0.0232(7) 0.0202(7) -0.0012(5) 0.0124(6) 0.0014(5)
S2 0.0275(7) 0.0217(6) 0.0214(7) -0.0009(5) 0.0151(6) -0.0003(5)
S3 0.0306(7) 0.0212(6) 0.0238(7) -0.0005(5) 0.0184(6) -0.0007(5)
S4 0.0259(7) 0.0332(8) 0.0246(7) -0.0047(6) 0.0148(6) 0.0014(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ag1 P1 2.3902(17)
Ag1 S1 2.4926(15)
Ag1 S4 2.5134(17)
Ag2 P2 2.3908(16)
Ag2 S1 2.4881(15)
Ag2 S2 2.5277(15)
Ag3 P3 2.4015(16)
Ag3 S3 2.4587(15)
Ag3 S1 2.5558(16)
Ag4 P4 2.4723(16)
Ag4 S3 2.6209(15)
Ag4 S4 2.6281(17)
Ag4 S2 2.6514(15)
C11 C12 1.384(8)
C11 C16 1.424(8)
C11 C17 1.481(9)
C12 C13 1.402(8)
C12 S1 1.779(6)
C13 C14 1.382(9)
C13 H13 0.9500
C14 C15 1.400(11)
C14 H14 0.9500
C15 C16 1.372(11)
C15 H15 0.9500
C16 H16 0.9500
C17 O11 1.209(7)
C17 O12 1.338(8)
C21 C26 1.380(10)
C21 C22 1.470(10)
C21 C27 1.478(11)
C22 C23 1.383(10)
C22 S2 1.771(6)
C23 C24 1.386(12)
C23 H23 0.9500
C24 C25 1.412(13)
C24 H24 0.9500
C25 C26 1.339(12)
C25 H25 0.9500
C26 H26 0.9500
C27 O21 1.270(10)
C27 O22 1.278(10)
C31 C32 1.401(8)
C31 C36 1.415(9)
C31 C37 1.511(9)
C32 C33 1.410(8)
C32 S3 1.764(6)
C33 C34 1.380(9)
C33 H33 0.9500
C34 C35 1.411(10)
C34 H34 0.9500
C35 C36 1.362(10)
C35 H35 0.9500
C36 H36 0.9500
C37 O32 1.237(9)
C37 O31 1.295(8)
C41 C42 1.411(9)
C41 C46 1.413(10)
C41 C47 1.441(11)
C42 C43 1.415(10)
C42 S4 1.780(6)
C43 C44 1.398(10)
C43 H43 0.9500
C44 C45 1.386(12)
C44 H44 0.9500
C45 C46 1.396(12)
C45 H45 0.9500
C46 H46 0.9500
C47 O42 1.222(9)
C47 O41 1.327(9)
C101 C102 1.356(10)
C101 C106 1.403(10)
C101 P1 1.827(7)
C102 C103 1.402(12)
C102 H102 0.9500
C103 C104 1.367(15)
C103 H103 0.9500
C104 C105 1.308(15)
C104 H104 0.9500
C105 C106 1.405(11)
C105 H105 0.9500
C106 H106 0.9500
C107 C108 1.385(9)
C107 C112 1.398(9)
C107 P1 1.826(7)
C108 C109 1.389(10)
C108 H108 0.9500
C109 C110 1.374(12)
C109 H109 0.9500
C110 C111 1.394(12)
C110 H110 0.9500
C111 C112 1.377(10)
C111 H111 0.9500
C112 H112 0.9500
C113 C118 1.367(10)
C113 C114 1.399(11)
C113 P1 1.812(7)
C114 C115 1.403(12)
C114 H114 0.9500
C115 C116 1.345(13)
C115 H115 0.9500
C116 C117 1.370(12)
C116 H116 0.9500
C117 C118 1.395(10)
C117 H117 0.9500
C118 H118 0.9500
C201 C202 1.387(8)
C201 C206 1.400(8)
C201 P2 1.825(6)
C202 C203 1.403(9)
C202 H202 0.9500
C203 C204 1.378(10)
C203 H203 0.9500
C204 C205 1.379(9)
C204 H204 0.9500
C205 C206 1.385(9)
C205 H205 0.9500
C206 H206 0.9500
C207 C208 1.392(9)
C207 C212 1.407(9)
C207 P2 1.803(6)
C208 C209 1.392(9)
C208 H208 0.9500
C209 C210 1.403(11)
C209 H209 0.9500
C210 C211 1.351(11)
C210 H210 0.9500
C211 C212 1.418(10)
C211 H211 0.9500
C212 H212 0.9500
C213 C218 1.391(8)
C213 C214 1.401(8)
C213 P2 1.815(6)
C214 C215 1.387(9)
C214 H214 0.9500
C215 C216 1.408(10)
C215 H215 0.9500
C216 C217 1.365(9)
C216 H216 0.9500
C217 C218 1.407(9)
C217 H217 0.9500
C218 H218 0.9500
C301 C306 1.355(12)
C301 C302 1.412(10)
C301 P3 1.814(8)
C302 C303 1.385(13)
C302 H302 0.9500
C303 C304 1.384(15)
C303 H303 0.9500
C304 C305 1.385(15)
C304 H304 0.9500
C305 C306 1.403(13)
C305 H305 0.9500
C306 H306 0.9500
C307 C308 1.388(10)
C307 C312 1.394(9)
C307 P3 1.835(7)
C308 C309 1.372(10)
C308 H308 0.9500
C309 C310 1.402(10)
C309 H309 0.9500
C310 C311 1.371(10)
C310 H310 0.9500
C311 C312 1.378(9)
C311 H311 0.9500
C312 H312 0.9500
C313 C314 1.342(11)
C313 C318 1.384(10)
C313 P3 1.827(7)
C314 C315 1.423(11)
C314 H314 0.9500
C315 C316 1.305(12)
C315 H315 0.9500
C316 C317 1.327(14)
C316 H316 0.9500
C317 C318 1.395(12)
C317 H317 0.9500
C318 H318 0.9500
C401 C402 1.380(9)
C401 C406 1.385(9)
C401 P4 1.821(6)
C402 C403 1.392(8)
C402 H402 0.9500
C403 C404 1.357(10)
C403 H403 0.9500
C404 C405 1.384(11)
C404 H404 0.9500
C405 C406 1.385(10)
C405 H405 0.9500
C406 H406 0.9500
C407 C408 1.385(9)
C407 C412 1.395(8)
C407 P4 1.819(6)
C408 C409 1.394(10)
C408 H408 0.9500
C409 C410 1.347(10)
C409 H409 0.9500
C410 C411 1.392(10)
C410 H410 0.9500
C411 C412 1.381(9)
C411 H411 0.9500
C412 H412 0.9500
C413 C414 1.402(9)
C413 C418 1.407(10)
C413 P4 1.817(6)
C414 C415 1.398(11)
C414 H414 0.9500
C415 C416 1.379(13)
C415 H415 0.9500
C416 C417 1.351(12)
C416 H416 0.9500
C417 C418 1.373(10)
C417 H417 0.9500
C418 H418 0.9500
C1S O1S 1.43(4)
C1S C2S 1.60(2)
C3S C3S 1.29(3)
C3S O2S 1.419(16)
O12 H12 0.8400
O22 H22 0.8400
O31 H31 0.8401
O41 H41 0.8400