In the title monomeric compound, [Ag(C7H7O3S)(C18H15As)3], the Ag atom is coordinated by three arsine ligands and one O atom, forming a distorted tetrahedral configuration. The Ag-As bond distances are 2.5765 (9), 2.6025 (3) and 2.6071 (3) Å, and the Ag-O bond distance is 2.4070 (14) Å.
Supporting information
CCDC reference: 627304
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (C-C) = 0.003 Å
- R factor = 0.024
- wR factor = 0.065
- Data-to-parameter ratio = 20.6
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.03 Ratio
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ag - As1 .. 12.94 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ag - As2 .. 20.77 su
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ag - As3 .. 26.25 su
Alert level C
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.74 Ratio
0 ALERT level A = In general: serious problem
4 ALERT level B = Potentially serious problem
1 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
4 ALERT type 2 Indicator that the structure model may be wrong or deficient
1 ALERT type 3 Indicator that the structure quality may be low
0 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus and XPREP (Bruker 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: SHELXTL (Bruker 2004).
(
p-Toluenesulfonato)tris(triphenylarsine)silver(I)
top
Crystal data top
[Ag(C7H7O3S)(C18H15As)3] | Z = 2 |
Mr = 1197.72 | F(000) = 1208 |
Triclinic, P1 | Dx = 1.545 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 13.1327 (8) Å | Cell parameters from 8130 reflections |
b = 13.8625 (7) Å | θ = 2.9–28.3° |
c = 14.3603 (8) Å | µ = 2.39 mm−1 |
α = 87.473 (2)° | T = 100 K |
β = 81.202 (2)° | Plate, colourless |
γ = 85.870 (2)° | 0.29 × 0.25 × 0.11 mm |
V = 2575.4 (2) Å3 | |
Data collection top
Bruker X8 APEXII 4K KappaCCD area-detector diffractometer | 12804 independent reflections |
Radiation source: fine-focus sealed tube | 11099 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.028 |
Detector resolution: 0 pixels mm-1 | θmax = 28.3°, θmin = 1.5° |
φ and ω scans | h = −17→17 |
Absorption correction: multi-scan (SADABS; Bruker, 2004) | k = −18→18 |
Tmin = 0.539, Tmax = 0.771 | l = −19→19 |
38157 measured reflections | |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.024 | w = 1/[σ2(Fo2) + (0.0316P)2 + 0.5342P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.066 | (Δ/σ)max = 0.002 |
S = 1.09 | Δρmax = 0.48 e Å−3 |
12804 reflections | Δρmin = −0.39 e Å−3 |
623 parameters | |
Special details top
Experimental. The intensity data were collected on a Bruker X8 Apex II 4 K Kappa CCD
diffractometer using an exposure time of 10 s/frame. A total of 1407 frames
were collected with a frame width of 0.5° covering up to θ = 28.31° with
99.8% completeness accomplished. |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Ag | 0.249754 (11) | 0.704263 (9) | 0.209858 (10) | 0.01332 (4) | |
As1 | 0.253726 (15) | 0.526319 (13) | 0.269888 (13) | 0.01339 (5) | |
As2 | 0.199292 (16) | 0.735434 (13) | 0.041933 (13) | 0.01400 (5) | |
As3 | 0.152252 (16) | 0.823665 (13) | 0.333139 (14) | 0.01462 (5) | |
S | 0.49951 (4) | 0.74231 (3) | 0.21563 (3) | 0.01623 (10) | |
O1 | 0.42598 (11) | 0.73519 (10) | 0.14907 (10) | 0.0190 (3) | |
O2 | 0.47585 (13) | 0.68055 (10) | 0.29922 (11) | 0.0261 (3) | |
O3 | 0.60606 (11) | 0.73258 (11) | 0.17055 (12) | 0.0274 (4) | |
C1 | 0.47906 (15) | 0.86298 (13) | 0.25489 (14) | 0.0171 (4) | |
C2 | 0.40917 (16) | 0.92799 (14) | 0.21880 (15) | 0.0198 (4) | |
H2 | 0.3729 | 0.9091 | 0.1709 | 0.024* | |
C3 | 0.39215 (17) | 1.02072 (15) | 0.25251 (18) | 0.0275 (5) | |
H3 | 0.3441 | 1.0651 | 0.2273 | 0.033* | |
C4 | 0.44373 (19) | 1.04965 (16) | 0.3220 (2) | 0.0344 (6) | |
C5 | 0.5148 (2) | 0.98447 (18) | 0.3567 (2) | 0.0401 (7) | |
H5 | 0.5518 | 1.0039 | 0.4039 | 0.048* | |
C6 | 0.53299 (19) | 0.89123 (16) | 0.32365 (17) | 0.0292 (5) | |
H6 | 0.582 | 0.8472 | 0.348 | 0.035* | |
C7 | 0.4229 (2) | 1.15133 (18) | 0.3581 (3) | 0.0576 (9) | |
H7A | 0.4759 | 1.1926 | 0.326 | 0.086* | |
H7B | 0.4245 | 1.1498 | 0.4261 | 0.086* | |
H7C | 0.3548 | 1.1773 | 0.3455 | 0.086* | |
C11 | 0.32397 (15) | 0.43015 (13) | 0.18465 (13) | 0.0143 (4) | |
C12 | 0.28817 (16) | 0.33852 (14) | 0.18210 (14) | 0.0197 (4) | |
H12 | 0.2284 | 0.3214 | 0.2239 | 0.024* | |
C13 | 0.33912 (17) | 0.27182 (15) | 0.11880 (15) | 0.0228 (4) | |
H13 | 0.3138 | 0.2096 | 0.1169 | 0.027* | |
C14 | 0.42634 (17) | 0.29591 (15) | 0.05893 (14) | 0.0227 (4) | |
H14 | 0.4607 | 0.2506 | 0.015 | 0.027* | |
C15 | 0.46401 (18) | 0.38585 (16) | 0.06258 (16) | 0.0262 (5) | |
H15 | 0.5252 | 0.4017 | 0.0222 | 0.031* | |
C16 | 0.41284 (17) | 0.45341 (15) | 0.12503 (15) | 0.0227 (4) | |
H16 | 0.4387 | 0.5154 | 0.1269 | 0.027* | |
C21 | 0.30916 (15) | 0.48749 (13) | 0.38456 (13) | 0.0144 (4) | |
C22 | 0.27659 (18) | 0.53910 (15) | 0.46530 (15) | 0.0242 (5) | |
H22 | 0.2266 | 0.5921 | 0.4643 | 0.029* | |
C23 | 0.31653 (19) | 0.51382 (17) | 0.54767 (16) | 0.0291 (5) | |
H23 | 0.2931 | 0.5491 | 0.603 | 0.035* | |
C24 | 0.39027 (17) | 0.43762 (15) | 0.54992 (15) | 0.0222 (4) | |
H24 | 0.4177 | 0.4204 | 0.6063 | 0.027* | |
C25 | 0.42333 (18) | 0.38710 (15) | 0.46905 (15) | 0.0247 (5) | |
H25 | 0.4743 | 0.335 | 0.4697 | 0.03* | |
C26 | 0.38317 (18) | 0.41143 (14) | 0.38719 (15) | 0.0226 (5) | |
H26 | 0.4065 | 0.3757 | 0.3321 | 0.027* | |
C31 | 0.11704 (15) | 0.47616 (13) | 0.29217 (14) | 0.0153 (4) | |
C32 | 0.08555 (16) | 0.41223 (14) | 0.36715 (14) | 0.0193 (4) | |
H32 | 0.1296 | 0.3949 | 0.4127 | 0.023* | |
C33 | −0.01059 (18) | 0.37410 (16) | 0.37481 (17) | 0.0272 (5) | |
H33 | −0.032 | 0.3303 | 0.4256 | 0.033* | |
C34 | −0.07527 (17) | 0.39958 (16) | 0.30890 (17) | 0.0293 (5) | |
H34 | −0.1402 | 0.3722 | 0.3138 | 0.035* | |
C35 | −0.04543 (17) | 0.46509 (16) | 0.23572 (17) | 0.0273 (5) | |
H35 | −0.0904 | 0.4838 | 0.1913 | 0.033* | |
C36 | 0.05037 (17) | 0.50307 (14) | 0.22781 (15) | 0.0209 (4) | |
H36 | 0.0707 | 0.5481 | 0.1778 | 0.025* | |
C41 | 0.26063 (16) | 0.65443 (13) | −0.06187 (13) | 0.0163 (4) | |
C42 | 0.26745 (17) | 0.55476 (14) | −0.04558 (15) | 0.0212 (4) | |
H42 | 0.2394 | 0.5278 | 0.014 | 0.025* | |
C43 | 0.31522 (18) | 0.49455 (15) | −0.11633 (16) | 0.0255 (5) | |
H43 | 0.3206 | 0.4265 | −0.1047 | 0.031* | |
C44 | 0.35485 (19) | 0.53295 (16) | −0.20335 (15) | 0.0275 (5) | |
H44 | 0.3879 | 0.4915 | −0.2515 | 0.033* | |
C45 | 0.34633 (19) | 0.63216 (16) | −0.22052 (15) | 0.0268 (5) | |
H45 | 0.3725 | 0.6586 | −0.2809 | 0.032* | |
C46 | 0.29962 (18) | 0.69308 (15) | −0.14970 (15) | 0.0229 (5) | |
H46 | 0.2944 | 0.7611 | −0.1615 | 0.028* | |
C51 | 0.22369 (16) | 0.86270 (13) | −0.01603 (14) | 0.0169 (4) | |
C52 | 0.32159 (17) | 0.89563 (14) | −0.01807 (15) | 0.0219 (4) | |
H52 | 0.3723 | 0.8573 | 0.01 | 0.026* | |
C53 | 0.34517 (18) | 0.98436 (15) | −0.06104 (17) | 0.0290 (5) | |
H53 | 0.4123 | 1.0064 | −0.0628 | 0.035* | |
C54 | 0.2716 (2) | 1.04103 (16) | −0.10135 (19) | 0.0347 (6) | |
H54 | 0.2879 | 1.102 | −0.1305 | 0.042* | |
C55 | 0.1741 (2) | 1.00871 (17) | −0.0991 (2) | 0.0385 (6) | |
H55 | 0.1235 | 1.0477 | −0.1268 | 0.046* | |
C56 | 0.14955 (19) | 0.91931 (15) | −0.05653 (17) | 0.0291 (5) | |
H56 | 0.0825 | 0.8973 | −0.0553 | 0.035* | |
C61 | 0.05311 (16) | 0.72451 (13) | 0.04043 (14) | 0.0158 (4) | |
C62 | −0.01491 (17) | 0.74506 (14) | 0.12257 (14) | 0.0207 (4) | |
H62 | 0.011 | 0.7649 | 0.1764 | 0.025* | |
C63 | −0.11984 (18) | 0.73687 (15) | 0.12643 (16) | 0.0253 (5) | |
H63 | −0.1656 | 0.7513 | 0.1827 | 0.03* | |
C64 | −0.15818 (17) | 0.70767 (15) | 0.04864 (16) | 0.0243 (5) | |
H64 | −0.2303 | 0.7033 | 0.0507 | 0.029* | |
C65 | −0.09040 (18) | 0.68477 (16) | −0.03253 (16) | 0.0266 (5) | |
H65 | −0.1164 | 0.6629 | −0.0855 | 0.032* | |
C66 | 0.01474 (17) | 0.69346 (15) | −0.03710 (15) | 0.0226 (4) | |
H66 | 0.0604 | 0.6782 | −0.0932 | 0.027* | |
C71 | 0.19412 (16) | 0.82757 (13) | 0.45646 (14) | 0.0164 (4) | |
C72 | 0.12585 (17) | 0.85718 (15) | 0.53557 (14) | 0.0214 (4) | |
H72 | 0.0551 | 0.8723 | 0.5308 | 0.026* | |
C73 | 0.16050 (18) | 0.86476 (15) | 0.62135 (15) | 0.0239 (5) | |
H73 | 0.1134 | 0.8842 | 0.6753 | 0.029* | |
C74 | 0.2633 (2) | 0.84410 (16) | 0.62812 (16) | 0.0296 (5) | |
H74 | 0.2877 | 0.8507 | 0.6863 | 0.036* | |
C75 | 0.3311 (2) | 0.8137 (2) | 0.54977 (18) | 0.0383 (6) | |
H75 | 0.402 | 0.7993 | 0.5546 | 0.046* | |
C76 | 0.29678 (18) | 0.80402 (16) | 0.46456 (16) | 0.0263 (5) | |
H76 | 0.3435 | 0.7813 | 0.4117 | 0.032* | |
C81 | 0.00657 (16) | 0.79982 (13) | 0.36716 (13) | 0.0166 (4) | |
C82 | −0.02103 (17) | 0.70452 (14) | 0.37875 (14) | 0.0205 (4) | |
H82 | 0.0313 | 0.6532 | 0.3722 | 0.025* | |
C83 | −0.12318 (18) | 0.68361 (15) | 0.39954 (15) | 0.0249 (5) | |
H83 | −0.1407 | 0.6181 | 0.4068 | 0.03* | |
C84 | −0.20044 (18) | 0.75743 (17) | 0.40989 (17) | 0.0291 (5) | |
H84 | −0.2708 | 0.743 | 0.4243 | 0.035* | |
C85 | −0.17384 (18) | 0.85301 (17) | 0.39887 (19) | 0.0339 (6) | |
H85 | −0.2263 | 0.9041 | 0.4061 | 0.041* | |
C86 | −0.07107 (17) | 0.87412 (15) | 0.37742 (17) | 0.0265 (5) | |
H86 | −0.0536 | 0.9396 | 0.3697 | 0.032* | |
C91 | 0.13918 (15) | 0.96044 (13) | 0.29733 (14) | 0.0171 (4) | |
C92 | 0.12371 (16) | 0.98448 (14) | 0.20535 (15) | 0.0208 (4) | |
H92 | 0.1241 | 0.9349 | 0.1617 | 0.025* | |
C93 | 0.10768 (17) | 1.08086 (15) | 0.17688 (16) | 0.0245 (5) | |
H93 | 0.097 | 1.0971 | 0.114 | 0.029* | |
C94 | 0.10734 (17) | 1.15300 (14) | 0.24041 (17) | 0.0251 (5) | |
H94 | 0.0946 | 1.2188 | 0.2215 | 0.03* | |
C95 | 0.12549 (17) | 1.12977 (14) | 0.33143 (16) | 0.0231 (5) | |
H95 | 0.1269 | 1.1797 | 0.3744 | 0.028* | |
C96 | 0.14168 (16) | 1.03356 (14) | 0.36020 (15) | 0.0202 (4) | |
H96 | 0.1544 | 1.0177 | 0.4226 | 0.024* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag | 0.01364 (8) | 0.01168 (7) | 0.01428 (7) | −0.00001 (5) | −0.00133 (5) | −0.00038 (5) |
As1 | 0.01429 (10) | 0.01096 (9) | 0.01488 (10) | −0.00051 (7) | −0.00261 (8) | 0.00087 (7) |
As2 | 0.01640 (11) | 0.01292 (9) | 0.01224 (9) | 0.00088 (7) | −0.00181 (8) | 0.00039 (7) |
As3 | 0.01470 (10) | 0.01252 (9) | 0.01555 (10) | 0.00016 (7) | 0.00146 (8) | −0.00321 (7) |
S | 0.0129 (2) | 0.0146 (2) | 0.0205 (2) | 0.00121 (18) | −0.00043 (19) | −0.00349 (18) |
O1 | 0.0152 (7) | 0.0222 (7) | 0.0193 (7) | −0.0026 (6) | −0.0002 (6) | −0.0046 (6) |
O2 | 0.0337 (9) | 0.0180 (7) | 0.0258 (8) | 0.0003 (6) | −0.0041 (7) | 0.0015 (6) |
O3 | 0.0124 (8) | 0.0294 (8) | 0.0396 (9) | 0.0010 (6) | 0.0012 (7) | −0.0142 (7) |
C1 | 0.0142 (10) | 0.0140 (9) | 0.0224 (10) | −0.0006 (7) | 0.0007 (8) | −0.0033 (7) |
C2 | 0.0143 (10) | 0.0197 (10) | 0.0256 (11) | −0.0013 (8) | −0.0031 (8) | −0.0010 (8) |
C3 | 0.0188 (12) | 0.0164 (10) | 0.0468 (14) | 0.0005 (8) | −0.0034 (10) | −0.0018 (9) |
C4 | 0.0268 (13) | 0.0216 (11) | 0.0558 (17) | −0.0003 (9) | −0.0066 (12) | −0.0147 (11) |
C5 | 0.0436 (16) | 0.0302 (13) | 0.0525 (17) | −0.0011 (11) | −0.0223 (13) | −0.0178 (12) |
C6 | 0.0293 (13) | 0.0222 (11) | 0.0394 (14) | 0.0041 (9) | −0.0167 (11) | −0.0075 (9) |
C7 | 0.0481 (19) | 0.0291 (14) | 0.102 (3) | 0.0068 (13) | −0.0264 (18) | −0.0345 (16) |
C11 | 0.0141 (10) | 0.0160 (9) | 0.0127 (9) | 0.0014 (7) | −0.0032 (7) | −0.0001 (7) |
C12 | 0.0178 (11) | 0.0228 (10) | 0.0179 (10) | −0.0053 (8) | 0.0019 (8) | −0.0029 (8) |
C13 | 0.0239 (12) | 0.0218 (10) | 0.0228 (11) | −0.0022 (9) | −0.0018 (9) | −0.0073 (8) |
C14 | 0.0218 (11) | 0.0293 (11) | 0.0152 (10) | 0.0086 (9) | −0.0013 (8) | −0.0033 (8) |
C15 | 0.0199 (12) | 0.0288 (11) | 0.0254 (11) | 0.0026 (9) | 0.0072 (9) | 0.0046 (9) |
C16 | 0.0179 (11) | 0.0201 (10) | 0.0286 (11) | −0.0005 (8) | −0.0001 (9) | 0.0036 (8) |
C21 | 0.0152 (10) | 0.0129 (8) | 0.0155 (9) | −0.0029 (7) | −0.0033 (8) | 0.0008 (7) |
C22 | 0.0231 (12) | 0.0257 (11) | 0.0241 (11) | 0.0092 (9) | −0.0064 (9) | −0.0108 (9) |
C23 | 0.0280 (13) | 0.0381 (13) | 0.0221 (11) | 0.0077 (10) | −0.0075 (10) | −0.0131 (9) |
C24 | 0.0257 (12) | 0.0241 (10) | 0.0187 (10) | −0.0031 (9) | −0.0088 (9) | −0.0013 (8) |
C25 | 0.0311 (13) | 0.0189 (10) | 0.0251 (11) | 0.0074 (9) | −0.0113 (10) | −0.0031 (8) |
C26 | 0.0299 (13) | 0.0188 (10) | 0.0189 (10) | 0.0061 (9) | −0.0061 (9) | −0.0042 (8) |
C31 | 0.0134 (10) | 0.0128 (8) | 0.0187 (9) | 0.0007 (7) | 0.0017 (8) | −0.0051 (7) |
C32 | 0.0183 (11) | 0.0195 (10) | 0.0192 (10) | −0.0008 (8) | −0.0008 (8) | 0.0000 (8) |
C33 | 0.0225 (12) | 0.0256 (11) | 0.0310 (12) | −0.0064 (9) | 0.0067 (10) | −0.0019 (9) |
C34 | 0.0133 (11) | 0.0310 (12) | 0.0429 (14) | −0.0035 (9) | 0.0027 (10) | −0.0144 (10) |
C35 | 0.0175 (11) | 0.0350 (12) | 0.0308 (12) | 0.0054 (9) | −0.0082 (9) | −0.0127 (10) |
C36 | 0.0219 (11) | 0.0204 (10) | 0.0210 (10) | 0.0025 (8) | −0.0061 (9) | −0.0029 (8) |
C41 | 0.0180 (10) | 0.0163 (9) | 0.0148 (9) | 0.0013 (7) | −0.0038 (8) | −0.0012 (7) |
C42 | 0.0230 (11) | 0.0177 (10) | 0.0221 (10) | −0.0005 (8) | −0.0013 (9) | 0.0000 (8) |
C43 | 0.0293 (13) | 0.0159 (10) | 0.0313 (12) | 0.0019 (9) | −0.0050 (10) | −0.0042 (8) |
C44 | 0.0306 (13) | 0.0295 (11) | 0.0224 (11) | 0.0056 (10) | −0.0048 (10) | −0.0110 (9) |
C45 | 0.0338 (14) | 0.0292 (11) | 0.0155 (10) | 0.0034 (10) | 0.0004 (9) | −0.0031 (8) |
C46 | 0.0309 (13) | 0.0180 (10) | 0.0184 (10) | 0.0036 (9) | −0.0016 (9) | 0.0001 (8) |
C51 | 0.0199 (11) | 0.0135 (9) | 0.0164 (9) | 0.0001 (8) | 0.0001 (8) | −0.0001 (7) |
C52 | 0.0193 (11) | 0.0202 (10) | 0.0248 (11) | 0.0028 (8) | −0.0012 (9) | 0.0007 (8) |
C53 | 0.0234 (12) | 0.0229 (11) | 0.0382 (13) | −0.0056 (9) | 0.0041 (10) | 0.0035 (9) |
C54 | 0.0327 (14) | 0.0214 (11) | 0.0466 (15) | −0.0037 (10) | 0.0018 (12) | 0.0119 (10) |
C55 | 0.0329 (15) | 0.0230 (12) | 0.0596 (18) | 0.0008 (10) | −0.0143 (13) | 0.0198 (11) |
C56 | 0.0243 (12) | 0.0200 (10) | 0.0431 (14) | −0.0036 (9) | −0.0080 (11) | 0.0097 (9) |
C61 | 0.0169 (10) | 0.0123 (8) | 0.0180 (10) | −0.0016 (7) | −0.0024 (8) | 0.0030 (7) |
C62 | 0.0236 (12) | 0.0210 (10) | 0.0169 (10) | 0.0026 (8) | −0.0030 (8) | −0.0004 (8) |
C63 | 0.0226 (12) | 0.0279 (11) | 0.0218 (11) | 0.0039 (9) | 0.0038 (9) | 0.0037 (8) |
C64 | 0.0191 (11) | 0.0230 (10) | 0.0302 (12) | −0.0042 (9) | −0.0027 (9) | 0.0061 (9) |
C65 | 0.0244 (12) | 0.0301 (11) | 0.0271 (12) | −0.0063 (9) | −0.0065 (10) | −0.0031 (9) |
C66 | 0.0223 (12) | 0.0278 (11) | 0.0174 (10) | −0.0033 (9) | −0.0010 (9) | −0.0012 (8) |
C71 | 0.0198 (11) | 0.0122 (8) | 0.0168 (9) | −0.0017 (7) | −0.0008 (8) | −0.0013 (7) |
C72 | 0.0186 (11) | 0.0240 (10) | 0.0205 (10) | −0.0016 (8) | 0.0017 (8) | −0.0043 (8) |
C73 | 0.0295 (13) | 0.0223 (10) | 0.0182 (10) | −0.0034 (9) | 0.0031 (9) | −0.0014 (8) |
C74 | 0.0377 (15) | 0.0320 (12) | 0.0200 (11) | 0.0038 (10) | −0.0100 (10) | −0.0005 (9) |
C75 | 0.0261 (14) | 0.0561 (16) | 0.0323 (14) | 0.0146 (12) | −0.0095 (11) | −0.0070 (12) |
C76 | 0.0212 (12) | 0.0331 (12) | 0.0223 (11) | 0.0087 (9) | −0.0001 (9) | −0.0041 (9) |
C81 | 0.0163 (10) | 0.0185 (9) | 0.0148 (9) | −0.0032 (8) | 0.0002 (8) | −0.0042 (7) |
C82 | 0.0247 (12) | 0.0186 (10) | 0.0177 (10) | −0.0023 (8) | −0.0011 (9) | −0.0009 (8) |
C83 | 0.0305 (13) | 0.0243 (11) | 0.0204 (11) | −0.0118 (9) | −0.0007 (9) | 0.0012 (8) |
C84 | 0.0194 (12) | 0.0357 (12) | 0.0316 (13) | −0.0097 (10) | 0.0015 (10) | 0.0000 (10) |
C85 | 0.0176 (12) | 0.0307 (12) | 0.0514 (16) | −0.0002 (10) | 0.0019 (11) | −0.0051 (11) |
C86 | 0.0208 (12) | 0.0187 (10) | 0.0382 (13) | −0.0022 (8) | 0.0021 (10) | −0.0040 (9) |
C91 | 0.0128 (10) | 0.0140 (9) | 0.0229 (10) | −0.0009 (7) | 0.0031 (8) | −0.0019 (7) |
C92 | 0.0191 (11) | 0.0177 (9) | 0.0251 (11) | −0.0013 (8) | −0.0009 (9) | −0.0029 (8) |
C93 | 0.0210 (12) | 0.0234 (10) | 0.0297 (12) | −0.0030 (9) | −0.0064 (9) | 0.0050 (9) |
C94 | 0.0168 (11) | 0.0148 (9) | 0.0422 (14) | −0.0009 (8) | −0.0009 (10) | 0.0038 (9) |
C95 | 0.0194 (11) | 0.0143 (9) | 0.0341 (12) | −0.0023 (8) | 0.0020 (9) | −0.0049 (8) |
C96 | 0.0193 (11) | 0.0176 (9) | 0.0224 (10) | −0.0013 (8) | 0.0024 (8) | −0.0043 (8) |
Geometric parameters (Å, º) top
Ag—O1 | 2.4070 (14) | C41—C42 | 1.390 (3) |
Ag—As1 | 2.5765 (3) | C42—C43 | 1.388 (3) |
Ag—As3 | 2.6025 (3) | C42—H42 | 0.95 |
Ag—As2 | 2.6071 (3) | C43—C44 | 1.378 (3) |
As1—C11 | 1.9360 (18) | C43—H43 | 0.95 |
As1—C21 | 1.9400 (19) | C44—C45 | 1.386 (3) |
As1—C31 | 1.9474 (19) | C44—H44 | 0.95 |
As2—C61 | 1.940 (2) | C45—C46 | 1.391 (3) |
As2—C51 | 1.9437 (19) | C45—H45 | 0.95 |
As2—C41 | 1.9447 (19) | C46—H46 | 0.95 |
As3—C71 | 1.937 (2) | C51—C56 | 1.388 (3) |
As3—C91 | 1.9450 (19) | C51—C52 | 1.391 (3) |
As3—C81 | 1.949 (2) | C52—C53 | 1.385 (3) |
S—O3 | 1.4487 (15) | C52—H52 | 0.95 |
S—O2 | 1.4506 (16) | C53—C54 | 1.382 (3) |
S—O1 | 1.4698 (15) | C53—H53 | 0.95 |
S—C1 | 1.7777 (18) | C54—C55 | 1.381 (3) |
C1—C2 | 1.381 (3) | C54—H54 | 0.95 |
C1—C6 | 1.385 (3) | C55—C56 | 1.394 (3) |
C2—C3 | 1.385 (3) | C55—H55 | 0.95 |
C2—H2 | 0.95 | C56—H56 | 0.95 |
C3—C4 | 1.377 (3) | C61—C66 | 1.387 (3) |
C3—H3 | 0.95 | C61—C62 | 1.393 (3) |
C4—C5 | 1.385 (4) | C62—C63 | 1.383 (3) |
C4—C7 | 1.515 (3) | C62—H62 | 0.95 |
C5—C6 | 1.388 (3) | C63—C64 | 1.381 (3) |
C5—H5 | 0.95 | C63—H63 | 0.95 |
C6—H6 | 0.95 | C64—C65 | 1.388 (3) |
C7—H7A | 0.98 | C64—H64 | 0.95 |
C7—H7B | 0.98 | C65—C66 | 1.386 (3) |
C7—H7C | 0.98 | C65—H65 | 0.95 |
C11—C16 | 1.387 (3) | C66—H66 | 0.95 |
C11—C12 | 1.390 (3) | C71—C76 | 1.385 (3) |
C12—C13 | 1.388 (3) | C71—C72 | 1.393 (3) |
C12—H12 | 0.95 | C72—C73 | 1.388 (3) |
C13—C14 | 1.375 (3) | C72—H72 | 0.95 |
C13—H13 | 0.95 | C73—C74 | 1.377 (3) |
C14—C15 | 1.380 (3) | C73—H73 | 0.95 |
C14—H14 | 0.95 | C74—C75 | 1.385 (3) |
C15—C16 | 1.390 (3) | C74—H74 | 0.95 |
C15—H15 | 0.95 | C75—C76 | 1.382 (3) |
C16—H16 | 0.95 | C75—H75 | 0.95 |
C21—C22 | 1.384 (3) | C76—H76 | 0.95 |
C21—C26 | 1.385 (3) | C81—C82 | 1.391 (3) |
C22—C23 | 1.387 (3) | C81—C86 | 1.392 (3) |
C22—H22 | 0.95 | C82—C83 | 1.378 (3) |
C23—C24 | 1.383 (3) | C82—H82 | 0.95 |
C23—H23 | 0.95 | C83—C84 | 1.384 (3) |
C24—C25 | 1.379 (3) | C83—H83 | 0.95 |
C24—H24 | 0.95 | C84—C85 | 1.391 (3) |
C25—C26 | 1.379 (3) | C84—H84 | 0.95 |
C25—H25 | 0.95 | C85—C86 | 1.387 (3) |
C26—H26 | 0.95 | C85—H85 | 0.95 |
C31—C36 | 1.389 (3) | C86—H86 | 0.95 |
C31—C32 | 1.396 (3) | C91—C92 | 1.389 (3) |
C32—C33 | 1.391 (3) | C91—C96 | 1.392 (3) |
C32—H32 | 0.95 | C92—C93 | 1.391 (3) |
C33—C34 | 1.384 (3) | C92—H92 | 0.95 |
C33—H33 | 0.95 | C93—C94 | 1.382 (3) |
C34—C35 | 1.387 (3) | C93—H93 | 0.95 |
C34—H34 | 0.95 | C94—C95 | 1.384 (3) |
C35—C36 | 1.385 (3) | C94—H94 | 0.95 |
C35—H35 | 0.95 | C95—C96 | 1.390 (3) |
C36—H36 | 0.95 | C95—H95 | 0.95 |
C41—C46 | 1.386 (3) | C96—H96 | 0.95 |
| | | |
O1—Ag—As1 | 105.81 (3) | C46—C41—C42 | 119.66 (18) |
O1—Ag—As3 | 116.50 (3) | C46—C41—As2 | 122.17 (14) |
As1—Ag—As3 | 113.505 (9) | C42—C41—As2 | 118.15 (15) |
O1—Ag—As2 | 90.17 (3) | C43—C42—C41 | 120.0 (2) |
As1—Ag—As2 | 115.463 (8) | C43—C42—H42 | 120 |
As3—Ag—As2 | 113.207 (9) | C41—C42—H42 | 120 |
C11—As1—C21 | 100.80 (8) | C44—C43—C42 | 120.34 (19) |
C11—As1—C31 | 99.07 (8) | C44—C43—H43 | 119.8 |
C21—As1—C31 | 102.96 (8) | C42—C43—H43 | 119.8 |
C11—As1—Ag | 117.55 (6) | C43—C44—C45 | 119.81 (19) |
C21—As1—Ag | 120.85 (5) | C43—C44—H44 | 120.1 |
C31—As1—Ag | 112.48 (6) | C45—C44—H44 | 120.1 |
C61—As2—C51 | 103.25 (8) | C44—C45—C46 | 120.2 (2) |
C61—As2—C41 | 101.49 (8) | C44—C45—H45 | 119.9 |
C51—As2—C41 | 100.00 (8) | C46—C45—H45 | 119.9 |
C61—As2—Ag | 112.46 (6) | C41—C46—C45 | 119.93 (19) |
C51—As2—Ag | 116.31 (6) | C41—C46—H46 | 120 |
C41—As2—Ag | 120.84 (6) | C45—C46—H46 | 120 |
C71—As3—C91 | 101.81 (8) | C56—C51—C52 | 119.78 (19) |
C71—As3—C81 | 101.10 (8) | C56—C51—As2 | 123.09 (16) |
C91—As3—C81 | 99.42 (8) | C52—C51—As2 | 117.10 (15) |
C71—As3—Ag | 119.95 (6) | C53—C52—C51 | 120.1 (2) |
C91—As3—Ag | 118.52 (6) | C53—C52—H52 | 120 |
C81—As3—Ag | 112.80 (5) | C51—C52—H52 | 120 |
O3—S—O2 | 114.59 (10) | C54—C53—C52 | 120.4 (2) |
O3—S—O1 | 112.66 (9) | C54—C53—H53 | 119.8 |
O2—S—O1 | 112.10 (9) | C52—C53—H53 | 119.8 |
O3—S—C1 | 105.75 (9) | C55—C54—C53 | 119.7 (2) |
O2—S—C1 | 105.79 (9) | C55—C54—H54 | 120.1 |
O1—S—C1 | 105.00 (9) | C53—C54—H54 | 120.1 |
S—O1—Ag | 118.95 (8) | C54—C55—C56 | 120.5 (2) |
C2—C1—C6 | 119.88 (18) | C54—C55—H55 | 119.8 |
C2—C1—S | 120.87 (16) | C56—C55—H55 | 119.8 |
C6—C1—S | 119.24 (16) | C51—C56—C55 | 119.6 (2) |
C1—C2—C3 | 119.9 (2) | C51—C56—H56 | 120.2 |
C1—C2—H2 | 120.1 | C55—C56—H56 | 120.2 |
C3—C2—H2 | 120.1 | C66—C61—C62 | 119.23 (19) |
C4—C3—C2 | 121.1 (2) | C66—C61—As2 | 122.81 (15) |
C4—C3—H3 | 119.5 | C62—C61—As2 | 117.90 (15) |
C2—C3—H3 | 119.5 | C63—C62—C61 | 120.6 (2) |
C3—C4—C5 | 118.6 (2) | C63—C62—H62 | 119.7 |
C3—C4—C7 | 119.9 (2) | C61—C62—H62 | 119.7 |
C5—C4—C7 | 121.5 (2) | C64—C63—C62 | 120.1 (2) |
C4—C5—C6 | 121.1 (2) | C64—C63—H63 | 119.9 |
C4—C5—H5 | 119.5 | C62—C63—H63 | 119.9 |
C6—C5—H5 | 119.5 | C63—C64—C65 | 119.4 (2) |
C1—C6—C5 | 119.4 (2) | C63—C64—H64 | 120.3 |
C1—C6—H6 | 120.3 | C65—C64—H64 | 120.3 |
C5—C6—H6 | 120.3 | C66—C65—C64 | 120.7 (2) |
C4—C7—H7A | 109.5 | C66—C65—H65 | 119.6 |
C4—C7—H7B | 109.5 | C64—C65—H65 | 119.6 |
H7A—C7—H7B | 109.5 | C65—C66—C61 | 119.8 (2) |
C4—C7—H7C | 109.5 | C65—C66—H66 | 120.1 |
H7A—C7—H7C | 109.5 | C61—C66—H66 | 120.1 |
H7B—C7—H7C | 109.5 | C76—C71—C72 | 119.35 (19) |
C16—C11—C12 | 119.27 (18) | C76—C71—As3 | 118.29 (15) |
C16—C11—As1 | 118.90 (14) | C72—C71—As3 | 122.29 (16) |
C12—C11—As1 | 121.83 (15) | C73—C72—C71 | 120.4 (2) |
C13—C12—C11 | 120.43 (19) | C73—C72—H72 | 119.8 |
C13—C12—H12 | 119.8 | C71—C72—H72 | 119.8 |
C11—C12—H12 | 119.8 | C74—C73—C72 | 119.8 (2) |
C14—C13—C12 | 119.95 (19) | C74—C73—H73 | 120.1 |
C14—C13—H13 | 120 | C72—C73—H73 | 120.1 |
C12—C13—H13 | 120 | C73—C74—C75 | 119.8 (2) |
C13—C14—C15 | 120.05 (19) | C73—C74—H74 | 120.1 |
C13—C14—H14 | 120 | C75—C74—H74 | 120.1 |
C15—C14—H14 | 120 | C76—C75—C74 | 120.7 (2) |
C14—C15—C16 | 120.3 (2) | C76—C75—H75 | 119.7 |
C14—C15—H15 | 119.8 | C74—C75—H75 | 119.7 |
C16—C15—H15 | 119.8 | C75—C76—C71 | 119.8 (2) |
C11—C16—C15 | 119.92 (19) | C75—C76—H76 | 120.1 |
C11—C16—H16 | 120 | C71—C76—H76 | 120.1 |
C15—C16—H16 | 120 | C82—C81—C86 | 118.75 (19) |
C22—C21—C26 | 118.90 (19) | C82—C81—As3 | 118.54 (15) |
C22—C21—As1 | 119.26 (15) | C86—C81—As3 | 122.69 (15) |
C26—C21—As1 | 121.80 (14) | C83—C82—C81 | 120.9 (2) |
C21—C22—C23 | 120.31 (19) | C83—C82—H82 | 119.6 |
C21—C22—H22 | 119.8 | C81—C82—H82 | 119.6 |
C23—C22—H22 | 119.8 | C82—C83—C84 | 120.4 (2) |
C24—C23—C22 | 120.51 (19) | C82—C83—H83 | 119.8 |
C24—C23—H23 | 119.7 | C84—C83—H83 | 119.8 |
C22—C23—H23 | 119.7 | C83—C84—C85 | 119.3 (2) |
C25—C24—C23 | 119.0 (2) | C83—C84—H84 | 120.4 |
C25—C24—H24 | 120.5 | C85—C84—H84 | 120.4 |
C23—C24—H24 | 120.5 | C86—C85—C84 | 120.4 (2) |
C24—C25—C26 | 120.7 (2) | C86—C85—H85 | 119.8 |
C24—C25—H25 | 119.6 | C84—C85—H85 | 119.8 |
C26—C25—H25 | 119.6 | C85—C86—C81 | 120.3 (2) |
C25—C26—C21 | 120.57 (18) | C85—C86—H86 | 119.8 |
C25—C26—H26 | 119.7 | C81—C86—H86 | 119.8 |
C21—C26—H26 | 119.7 | C92—C91—C96 | 119.62 (18) |
C36—C31—C32 | 119.36 (19) | C92—C91—As3 | 117.47 (14) |
C36—C31—As1 | 117.68 (15) | C96—C91—As3 | 122.88 (16) |
C32—C31—As1 | 122.91 (16) | C91—C92—C93 | 120.30 (19) |
C33—C32—C31 | 119.7 (2) | C91—C92—H92 | 119.9 |
C33—C32—H32 | 120.2 | C93—C92—H92 | 119.9 |
C31—C32—H32 | 120.2 | C94—C93—C92 | 119.8 (2) |
C34—C33—C32 | 120.4 (2) | C94—C93—H93 | 120.1 |
C34—C33—H33 | 119.8 | C92—C93—H93 | 120.1 |
C32—C33—H33 | 119.8 | C93—C94—C95 | 120.24 (19) |
C33—C34—C35 | 120.1 (2) | C93—C94—H94 | 119.9 |
C33—C34—H34 | 120 | C95—C94—H94 | 119.9 |
C35—C34—H34 | 120 | C94—C95—C96 | 120.18 (19) |
C36—C35—C34 | 119.6 (2) | C94—C95—H95 | 119.9 |
C36—C35—H35 | 120.2 | C96—C95—H95 | 119.9 |
C34—C35—H35 | 120.2 | C95—C96—C91 | 119.8 (2) |
C35—C36—C31 | 120.8 (2) | C95—C96—H96 | 120.1 |
C35—C36—H36 | 119.6 | C91—C96—H96 | 120.1 |
C31—C36—H36 | 119.6 | | |
| | | |
O1—Ag—As1—C11 | −51.09 (7) | C34—C35—C36—C31 | 0.2 (3) |
As3—Ag—As1—C11 | 179.94 (6) | C32—C31—C36—C35 | −1.9 (3) |
As2—Ag—As1—C11 | 46.86 (7) | As1—C31—C36—C35 | 175.69 (15) |
O1—Ag—As1—C21 | 72.82 (7) | C61—As2—C41—C46 | 101.76 (19) |
As3—Ag—As1—C21 | −56.15 (7) | C51—As2—C41—C46 | −4.1 (2) |
As2—Ag—As1—C21 | 170.77 (7) | Ag—As2—C41—C46 | −133.11 (16) |
O1—Ag—As1—C31 | −165.18 (7) | C61—As2—C41—C42 | −79.95 (17) |
As3—Ag—As1—C31 | 65.85 (6) | C51—As2—C41—C42 | 174.18 (17) |
As2—Ag—As1—C31 | −67.23 (6) | Ag—As2—C41—C42 | 45.18 (19) |
O1—Ag—As2—C61 | −178.50 (7) | C46—C41—C42—C43 | 1.5 (3) |
As1—Ag—As2—C61 | 73.85 (6) | As2—C41—C42—C43 | −176.85 (17) |
As3—Ag—As2—C61 | −59.36 (6) | C41—C42—C43—C44 | −0.9 (3) |
O1—Ag—As2—C51 | −59.74 (7) | C42—C43—C44—C45 | −0.4 (4) |
As1—Ag—As2—C51 | −167.39 (7) | C43—C44—C45—C46 | 1.2 (4) |
As3—Ag—As2—C51 | 59.40 (7) | C42—C41—C46—C45 | −0.8 (3) |
O1—Ag—As2—C41 | 61.64 (8) | As2—C41—C46—C45 | 177.50 (17) |
As1—Ag—As2—C41 | −46.01 (7) | C44—C45—C46—C41 | −0.6 (4) |
As3—Ag—As2—C41 | −179.22 (7) | C61—As2—C51—C56 | −6.9 (2) |
O1—Ag—As3—C71 | −67.23 (8) | C41—As2—C51—C56 | 97.51 (19) |
As1—Ag—As3—C71 | 56.06 (7) | Ag—As2—C51—C56 | −130.59 (17) |
As2—Ag—As3—C71 | −169.79 (7) | C61—As2—C51—C52 | 174.73 (15) |
O1—Ag—As3—C91 | 58.36 (8) | C41—As2—C51—C52 | −80.83 (16) |
As1—Ag—As3—C91 | −178.35 (7) | Ag—As2—C51—C52 | 51.07 (17) |
As2—Ag—As3—C91 | −44.20 (7) | C56—C51—C52—C53 | −0.5 (3) |
O1—Ag—As3—C81 | 173.87 (7) | As2—C51—C52—C53 | 177.91 (16) |
As1—Ag—As3—C81 | −62.85 (7) | C51—C52—C53—C54 | 0.6 (3) |
As2—Ag—As3—C81 | 71.31 (7) | C52—C53—C54—C55 | −0.3 (4) |
O3—S—O1—Ag | 163.03 (8) | C53—C54—C55—C56 | 0.0 (4) |
O2—S—O1—Ag | 32.01 (11) | C52—C51—C56—C55 | 0.1 (3) |
C1—S—O1—Ag | −82.37 (10) | As2—C51—C56—C55 | −178.16 (19) |
As1—Ag—O1—S | −71.84 (8) | C54—C55—C56—C51 | 0.1 (4) |
As3—Ag—O1—S | 55.35 (9) | C51—As2—C61—C66 | 84.65 (17) |
As2—Ag—O1—S | 171.57 (8) | C41—As2—C61—C66 | −18.64 (18) |
O3—S—C1—C2 | 116.39 (18) | Ag—As2—C61—C66 | −149.19 (15) |
O2—S—C1—C2 | −121.67 (18) | C51—As2—C61—C62 | −98.11 (16) |
O1—S—C1—C2 | −2.95 (19) | C41—As2—C61—C62 | 158.60 (15) |
O3—S—C1—C6 | −64.6 (2) | Ag—As2—C61—C62 | 28.05 (16) |
O2—S—C1—C6 | 57.3 (2) | C66—C61—C62—C63 | −1.5 (3) |
O1—S—C1—C6 | 176.03 (18) | As2—C61—C62—C63 | −178.82 (15) |
C6—C1—C2—C3 | −1.0 (3) | C61—C62—C63—C64 | 0.3 (3) |
S—C1—C2—C3 | 178.01 (17) | C62—C63—C64—C65 | 1.3 (3) |
C1—C2—C3—C4 | −0.2 (3) | C63—C64—C65—C66 | −1.8 (3) |
C2—C3—C4—C5 | 1.2 (4) | C64—C65—C66—C61 | 0.6 (3) |
C2—C3—C4—C7 | −179.5 (2) | C62—C61—C66—C65 | 1.0 (3) |
C3—C4—C5—C6 | −1.1 (4) | As2—C61—C66—C65 | 178.23 (16) |
C7—C4—C5—C6 | 179.6 (3) | C91—As3—C71—C76 | −103.77 (17) |
C2—C1—C6—C5 | 1.0 (4) | C81—As3—C71—C76 | 154.02 (16) |
S—C1—C6—C5 | −178.0 (2) | Ag—As3—C71—C76 | 29.34 (18) |
C4—C5—C6—C1 | 0.0 (4) | C91—As3—C71—C72 | 73.33 (17) |
C21—As1—C11—C16 | −96.85 (17) | C81—As3—C71—C72 | −28.88 (17) |
C31—As1—C11—C16 | 157.98 (17) | Ag—As3—C71—C72 | −153.55 (14) |
Ag—As1—C11—C16 | 36.65 (18) | C76—C71—C72—C73 | 1.2 (3) |
C21—As1—C11—C12 | 82.71 (17) | As3—C71—C72—C73 | −175.91 (15) |
C31—As1—C11—C12 | −22.46 (18) | C71—C72—C73—C74 | 0.8 (3) |
Ag—As1—C11—C12 | −143.78 (15) | C72—C73—C74—C75 | −1.5 (3) |
C16—C11—C12—C13 | −1.8 (3) | C73—C74—C75—C76 | 0.2 (4) |
As1—C11—C12—C13 | 178.69 (16) | C74—C75—C76—C71 | 1.8 (4) |
C11—C12—C13—C14 | 0.8 (3) | C72—C71—C76—C75 | −2.5 (3) |
C12—C13—C14—C15 | 0.9 (3) | As3—C71—C76—C75 | 174.70 (19) |
C13—C14—C15—C16 | −1.6 (3) | C71—As3—C81—C82 | −89.23 (16) |
C12—C11—C16—C15 | 1.1 (3) | C91—As3—C81—C82 | 166.65 (16) |
As1—C11—C16—C15 | −179.37 (16) | Ag—As3—C81—C82 | 40.15 (17) |
C14—C15—C16—C11 | 0.6 (3) | C71—As3—C81—C86 | 92.82 (18) |
C11—As1—C21—C22 | −179.41 (17) | C91—As3—C81—C86 | −11.30 (19) |
C31—As1—C21—C22 | −77.37 (17) | Ag—As3—C81—C86 | −137.80 (16) |
Ag—As1—C21—C22 | 49.10 (18) | C86—C81—C82—C83 | 0.3 (3) |
C11—As1—C21—C26 | 2.80 (18) | As3—C81—C82—C83 | −177.71 (16) |
C31—As1—C21—C26 | 104.84 (17) | C81—C82—C83—C84 | −0.4 (3) |
Ag—As1—C21—C26 | −128.69 (15) | C82—C83—C84—C85 | 0.1 (3) |
C26—C21—C22—C23 | −1.0 (3) | C83—C84—C85—C86 | 0.2 (4) |
As1—C21—C22—C23 | −178.82 (18) | C84—C85—C86—C81 | −0.3 (4) |
C21—C22—C23—C24 | 0.8 (4) | C82—C81—C86—C85 | 0.0 (3) |
C22—C23—C24—C25 | −0.1 (4) | As3—C81—C86—C85 | 177.99 (19) |
C23—C24—C25—C26 | −0.5 (3) | C71—As3—C91—C92 | 171.16 (16) |
C24—C25—C26—C21 | 0.3 (3) | C81—As3—C91—C92 | −85.30 (17) |
C22—C21—C26—C25 | 0.4 (3) | Ag—As3—C91—C92 | 37.21 (18) |
As1—C21—C26—C25 | 178.19 (17) | C71—As3—C91—C96 | −10.75 (19) |
C11—As1—C31—C36 | −85.13 (15) | C81—As3—C91—C96 | 92.79 (18) |
C21—As1—C31—C36 | 171.49 (14) | Ag—As3—C91—C96 | −144.71 (15) |
Ag—As1—C31—C36 | 39.83 (15) | C96—C91—C92—C93 | −2.0 (3) |
C11—As1—C31—C32 | 92.35 (16) | As3—C91—C92—C93 | 176.20 (16) |
C21—As1—C31—C32 | −11.03 (17) | C91—C92—C93—C94 | 0.1 (3) |
Ag—As1—C31—C32 | −142.69 (14) | C92—C93—C94—C95 | 1.6 (3) |
C36—C31—C32—C33 | 2.0 (3) | C93—C94—C95—C96 | −1.6 (3) |
As1—C31—C32—C33 | −175.47 (15) | C94—C95—C96—C91 | −0.3 (3) |
C31—C32—C33—C34 | −0.4 (3) | C92—C91—C96—C95 | 2.0 (3) |
C32—C33—C34—C35 | −1.4 (3) | As3—C91—C96—C95 | −176.02 (16) |
C33—C34—C35—C36 | 1.5 (3) | | |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C24—H24···O2i | 0.95 | 2.43 | 3.302 (3) | 153 |
C43—H43···O3ii | 0.95 | 2.51 | 3.330 (2) | 145 |
C64—H64···O3iii | 0.95 | 2.56 | 3.318 (3) | 137 |
C76—H76···O2 | 0.95 | 2.56 | 3.488 (3) | 165 |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, −y+1, −z; (iii) x−1, y, z. |
Comparison of geometric parameters for selected [Ag(AsPh3)3]X complexes topX | Ag-As (Å) | Ag-As (Å) | Ag-As (Å) | Ag-X1 (Å) | Ag-X2 (Å) | Ref |
4-MeC6H4SO3 | 2.5765 (9) | 2.6025 (3) | 2.6071 (3) | 2.4070 (14) | - | TW |
NO2 | 2.593 (1) | 2.6347 (9) | 2.635 (1) | 2.516 (6) | 2.529 (8) | (a) |
NO3 | 2.608 (3) | 2.617 (2) | 2.678 (2) | 2.544 (14) | 2.607 (16) | (b) |
References: TW this work; (a) Cingolani et al., 2002; (a)
Nardelli et al., 1985. |