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(1,4,7-Tri­thia­cyclo­nonane)silver tri­fluoro­methane­sulfonate crystallizes in a tetrameric form from nitro­methane, to give the title compound, [Ag4(C6H12S3)4](CF3SO3)4·2CH3NO2. The complex cation consists of four [AgL]+ units (L is 1,4,7-tri­thia­cyclo­nonane), with four Ag—S—Ag bridges forming a cyclic tetramer. The almost planar Ag4S4 ring takes an octagonal form.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270102001075/oa1126sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270102001075/oa1126Isup2.hkl
Contains datablock I

CCDC reference: 184458

Computing details top

Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1994); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN (Rigaku, 1999); program(s) used to solve structure: DIRDIF92 (Beurskens et al., 1992); program(s) used to refine structure: TEXSAN; software used to prepare material for publication: TEXSAN.

cyclo-tetrakis(µ-1,4,7-trithiacyclononane- κ3S1,S4,S7:κS1)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate top
Crystal data top
[Ag4(C6H12S3)4](CF3SO3)4·2CH3NO2F(000) = 1856
Mr = 1871.17Dx = 2.015 Mg m3
Monoclinic, P21/aMo Kα radiation, λ = 0.7107 Å
a = 14.877 (4) ÅCell parameters from 24 reflections
b = 14.775 (3) Åθ = 11.0–12.4°
c = 15.581 (4) ŵ = 1.88 mm1
β = 115.80 (2)°T = 296 K
V = 3083 (1) Å3Prismatic, colourless
Z = 20.15 × 0.15 × 0.10 mm
Data collection top
Rigaku AFC-7S
diffractometer
3810 reflections with F2 > 2σ(F2)
ω/2θ scansRint = 0.021
Absorption correction: ψ-scan
(North et al., 1968)
θmax = 25.0°
Tmin = 0.753, Tmax = 0.828h = 170
5904 measured reflectionsk = 017
5433 independent reflectionsl = 1618
Refinement top
Refinement on F2H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.047 w = 1/[σ2(Fo2) + {0.059[max(Fo2,0) + 2Fc2]/3}2]
wR(F2) = 0.133(Δ/σ)max = 0.002
S = 1.18Δρmax = 1.15 e Å3
5433 reflectionsΔρmin = 0.53 e Å3
361 parameters
Special details top

Refinement. Refinement using reflections with F2 > -10.0 σ(F2). The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ag10.05401 (4)0.21377 (4)0.47834 (4)0.0517 (2)
Ag20.19335 (4)0.01647 (4)0.28374 (4)0.0535 (2)
S10.1074 (1)0.16155 (10)0.3334 (1)0.0358 (4)
S20.0632 (1)0.3483 (1)0.4818 (1)0.0426 (5)
S30.0786 (1)0.3135 (1)0.3550 (1)0.0459 (5)
S40.1674 (1)0.1417 (1)0.3708 (1)0.0371 (4)
S50.3784 (1)0.0262 (1)0.2135 (1)0.0551 (5)
S60.1884 (1)0.0794 (1)0.1477 (1)0.0516 (5)
S70.1280 (2)0.0492 (2)0.4150 (2)0.0679 (7)
S80.1314 (2)0.2672 (1)0.0422 (1)0.0647 (6)
F10.1228 (6)0.1057 (7)0.2559 (5)0.168 (4)
F20.2066 (6)0.0116 (5)0.3057 (7)0.150 (3)
F30.2618 (7)0.1115 (6)0.3716 (7)0.173 (4)
F40.0940 (7)0.1339 (5)0.1288 (6)0.162 (4)
F50.0325 (5)0.1991 (6)0.0293 (6)0.148 (3)
F60.0489 (5)0.1110 (5)0.0205 (6)0.140 (3)
O10.0512 (9)0.0123 (7)0.3740 (9)0.201 (6)
O20.0872 (6)0.1348 (6)0.4172 (5)0.118 (3)
O30.2059 (7)0.0209 (9)0.4964 (7)0.185 (5)
O40.2260 (5)0.2289 (6)0.0633 (6)0.111 (3)
O50.0804 (6)0.3009 (6)0.0525 (4)0.115 (3)
O60.1268 (6)0.3239 (4)0.1134 (4)0.097 (2)
O70.3610 (6)0.0804 (5)0.2178 (5)0.100 (3)
O80.3540 (8)0.0229 (6)0.1258 (7)0.178 (4)
N10.3186 (6)0.0429 (5)0.1434 (6)0.072 (2)
C10.1990 (4)0.2489 (4)0.3209 (5)0.041 (2)
C20.1826 (5)0.2925 (4)0.4143 (5)0.044 (2)
C30.0558 (5)0.4255 (4)0.3948 (5)0.041 (2)
C40.0406 (5)0.4216 (4)0.3835 (5)0.049 (2)
C50.0274 (5)0.2831 (5)0.2433 (5)0.047 (2)
C60.0690 (5)0.1893 (4)0.2403 (4)0.043 (2)
C70.2942 (5)0.1550 (5)0.3608 (5)0.046 (2)
C80.3795 (5)0.1367 (5)0.2639 (5)0.048 (2)
C90.3922 (6)0.0543 (6)0.0949 (5)0.065 (2)
C100.3164 (6)0.1157 (5)0.0858 (5)0.056 (2)
C110.1259 (5)0.1776 (5)0.2153 (5)0.055 (2)
C120.1646 (5)0.2191 (4)0.2805 (4)0.045 (2)
C130.1720 (9)0.0582 (7)0.3279 (9)0.095 (4)
C140.0591 (8)0.1713 (8)0.0447 (8)0.090 (4)
C150.2269 (8)0.0755 (8)0.0697 (8)0.099 (4)
H10.19550.29460.27960.0489*
H20.26350.22220.29350.0489*
H30.18930.24650.45380.0528*
H40.23350.33650.40090.0528*
H50.10940.41210.33470.0490*
H60.06310.48530.41320.0490*
H70.09280.44170.44180.0592*
H80.03370.46250.33390.0592*
H90.07930.32550.23220.0566*
H100.00670.28740.19370.0566*
H110.01910.14700.24460.0520*
H120.12570.18250.18070.0520*
H130.30070.21550.37780.0548*
H140.30110.11460.40500.0548*
H150.44020.14240.26970.0582*
H160.37730.18120.22090.0582*
H170.45560.08240.06200.0781*
H180.39120.00100.06420.0781*
H190.33210.12080.02000.0674*
H200.32180.17340.11000.0674*
H210.12870.22300.17100.0661*
H220.05830.16110.25330.0661*
H230.12300.26900.31210.0544*
H240.23060.24000.24290.0544*
H250.17740.02970.05320.1193*
H260.23690.09100.01530.1193*
H270.20560.12750.09170.1193*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0470 (3)0.0574 (3)0.0383 (3)0.0068 (3)0.0072 (2)0.0083 (2)
Ag20.0601 (4)0.0355 (3)0.0619 (4)0.0122 (2)0.0237 (3)0.0092 (3)
S10.0378 (8)0.0303 (8)0.0401 (9)0.0013 (6)0.0178 (7)0.0021 (6)
S20.0468 (9)0.0419 (9)0.0439 (9)0.0035 (7)0.0241 (8)0.0085 (7)
S30.0351 (9)0.0520 (10)0.056 (1)0.0023 (7)0.0248 (8)0.0042 (8)
S40.0383 (8)0.0370 (8)0.0316 (8)0.0026 (7)0.0112 (7)0.0011 (6)
S50.0418 (10)0.051 (1)0.069 (1)0.0104 (8)0.0208 (9)0.0083 (9)
S60.063 (1)0.054 (1)0.0428 (10)0.0087 (9)0.0276 (9)0.0009 (8)
S70.060 (1)0.069 (1)0.065 (1)0.007 (1)0.018 (1)0.005 (1)
S80.072 (1)0.069 (1)0.051 (1)0.003 (1)0.024 (1)0.0096 (10)
F10.164 (7)0.28 (1)0.085 (4)0.130 (7)0.075 (5)0.066 (6)
F20.138 (6)0.119 (6)0.228 (9)0.043 (5)0.113 (7)0.017 (6)
F30.162 (7)0.149 (7)0.24 (1)0.029 (6)0.121 (8)0.032 (7)
F40.25 (1)0.101 (5)0.150 (7)0.021 (6)0.106 (7)0.037 (5)
F50.084 (4)0.202 (8)0.174 (7)0.022 (5)0.071 (5)0.070 (6)
F60.153 (6)0.117 (5)0.193 (7)0.063 (5)0.115 (6)0.094 (5)
O10.21 (1)0.177 (10)0.26 (1)0.147 (9)0.14 (1)0.088 (9)
O20.150 (7)0.129 (7)0.091 (5)0.033 (6)0.067 (5)0.010 (5)
O30.107 (7)0.30 (1)0.140 (8)0.061 (8)0.048 (6)0.136 (9)
O40.053 (4)0.140 (7)0.127 (6)0.006 (4)0.028 (4)0.025 (5)
O50.153 (7)0.143 (7)0.055 (4)0.045 (6)0.051 (4)0.022 (4)
O60.146 (6)0.076 (4)0.071 (4)0.005 (4)0.051 (4)0.021 (3)
O70.125 (6)0.094 (5)0.072 (4)0.005 (4)0.035 (4)0.015 (4)
O80.183 (10)0.110 (7)0.167 (9)0.051 (7)0.006 (7)0.063 (7)
N10.078 (5)0.056 (4)0.077 (5)0.000 (4)0.030 (4)0.008 (4)
C10.030 (3)0.041 (4)0.050 (4)0.005 (3)0.017 (3)0.001 (3)
C20.043 (4)0.040 (4)0.056 (4)0.003 (3)0.029 (3)0.002 (3)
C30.042 (4)0.032 (3)0.047 (4)0.003 (3)0.018 (3)0.005 (3)
C40.048 (4)0.042 (4)0.058 (4)0.010 (3)0.023 (3)0.003 (3)
C50.054 (4)0.049 (4)0.047 (4)0.004 (3)0.030 (3)0.001 (3)
C60.056 (4)0.044 (4)0.036 (4)0.005 (3)0.026 (3)0.001 (3)
C70.047 (4)0.048 (4)0.052 (4)0.000 (3)0.030 (3)0.004 (3)
C80.036 (4)0.054 (4)0.056 (4)0.005 (3)0.021 (3)0.002 (3)
C90.048 (4)0.067 (5)0.054 (5)0.000 (4)0.002 (4)0.011 (4)
C100.070 (5)0.054 (4)0.034 (4)0.005 (4)0.013 (3)0.001 (3)
C110.057 (4)0.060 (5)0.055 (4)0.004 (4)0.030 (4)0.011 (4)
C120.058 (4)0.037 (4)0.036 (3)0.011 (3)0.016 (3)0.004 (3)
C130.103 (8)0.056 (6)0.14 (1)0.022 (6)0.070 (8)0.036 (6)
C140.085 (7)0.101 (8)0.103 (8)0.024 (6)0.059 (7)0.028 (7)
C150.081 (7)0.108 (8)0.096 (8)0.002 (6)0.026 (6)0.012 (6)
Geometric parameters (Å, º) top
Ag1—S12.596 (2)O8—N11.193 (10)
Ag1—S22.660 (2)N1—C151.43 (1)
Ag1—S32.571 (2)C1—C21.511 (9)
Ag1—S4i2.460 (2)C1—H10.950
Ag2—S12.443 (2)C1—H20.950
Ag2—S42.645 (2)C2—H30.950
Ag2—S52.560 (2)C2—H40.950
Ag2—S62.577 (2)C3—C41.520 (9)
S1—C11.824 (6)C3—H50.950
S1—C61.822 (6)C3—H60.950
S2—C21.821 (7)C4—H70.950
S2—C31.811 (7)C4—H80.950
S3—C41.814 (7)C5—C61.511 (9)
S3—C51.824 (7)C5—H90.950
S4—C71.834 (7)C5—H100.950
S4—C121.828 (6)C6—H110.950
S5—C81.814 (7)C6—H120.950
S5—C91.816 (9)C7—C81.516 (9)
S6—C101.801 (8)C7—H130.950
S6—C111.796 (8)C7—H140.950
S7—O11.381 (8)C8—H150.950
S7—O21.410 (8)C8—H160.950
S7—O31.359 (8)C9—C101.50 (1)
S7—C131.75 (1)C9—H170.950
S8—O41.417 (7)C9—H180.950
S8—O51.423 (6)C10—H190.950
S8—O61.415 (6)C10—H200.950
S8—C141.79 (1)C11—C121.50 (1)
F1—C131.25 (1)C11—H210.950
F2—C131.26 (1)C11—H220.950
F3—C131.44 (1)C12—H230.950
F4—C141.30 (1)C12—H240.950
F5—C141.34 (1)C15—H250.950
F6—C141.31 (1)C15—H260.950
O7—N11.188 (9)C15—H270.950
S1—Ag1—S282.71 (5)S3—C4—H8107.3
S1—Ag1—S384.21 (5)C3—C4—H7107.3
S1—Ag1—S4i133.82 (5)C3—C4—H8107.3
S2—Ag1—S383.96 (5)H7—C4—H8109.5
S2—Ag1—S4i119.15 (6)S3—C5—C6115.3 (5)
S3—Ag1—S4i134.47 (6)S3—C5—H9108.0
S1—Ag2—S4132.32 (5)S3—C5—H10108.0
S1—Ag2—S5131.98 (6)C6—C5—H9108.0
S1—Ag2—S6123.01 (6)C6—C5—H10108.0
S4—Ag2—S583.76 (6)H9—C5—H10109.5
S4—Ag2—S683.47 (5)S1—C6—C5116.6 (4)
S5—Ag2—S685.60 (6)S1—C6—H11107.7
Ag1—S1—Ag2134.02 (7)S1—C6—H12107.7
Ag1—S1—C1104.4 (2)C5—C6—H11107.7
Ag1—S1—C697.7 (2)C5—C6—H12107.7
Ag2—S1—C1108.9 (2)H11—C6—H12109.5
Ag2—S1—C6104.3 (2)S4—C7—C8116.8 (5)
C1—S1—C6103.5 (3)S4—C7—H13107.6
Ag1—S2—C297.6 (2)S4—C7—H14107.6
Ag1—S2—C3101.6 (2)C8—C7—H13107.6
C2—S2—C3102.4 (3)C8—C7—H14107.6
Ag1—S3—C499.3 (2)H13—C7—H14109.5
Ag1—S3—C5103.1 (2)S5—C8—C7115.5 (5)
C4—S3—C5102.6 (3)S5—C8—H15108.0
Ag1i—S4—Ag2139.36 (7)S5—C8—H16108.0
Ag1i—S4—C7106.7 (2)C7—C8—H15108.0
Ag1i—S4—C12103.2 (2)C7—C8—H16108.0
Ag2—S4—C797.8 (2)H15—C8—H16109.5
Ag2—S4—C12101.8 (2)S5—C9—C10118.5 (5)
C7—S4—C12103.6 (3)S5—C9—H17107.2
Ag2—S5—C8104.3 (2)S5—C9—H18107.2
Ag2—S5—C996.6 (3)C10—C9—H17107.2
C8—S5—C9102.5 (4)C10—C9—H18107.2
Ag2—S6—C10101.7 (3)H17—C9—H18109.5
Ag2—S6—C1198.9 (2)S6—C10—C9115.6 (5)
C10—S6—C11103.3 (3)S6—C10—H19107.9
O1—S7—O2108.9 (7)S6—C10—H20107.9
O1—S7—O3115.3 (8)C9—C10—H19107.9
O1—S7—C13101.8 (6)C9—C10—H20107.9
O2—S7—O3117.0 (7)H19—C10—H20109.5
O2—S7—C13105.2 (5)S6—C11—C12118.3 (5)
O3—S7—C13107.0 (6)S6—C11—H21107.2
O4—S8—O5114.1 (5)S6—C11—H22107.2
O4—S8—O6115.9 (4)C12—C11—H21107.2
O4—S8—C14103.0 (5)C12—C11—H22107.2
O5—S8—O6114.9 (4)H21—C11—H22109.5
O5—S8—C14104.2 (6)S4—C12—C11114.2 (5)
O6—S8—C14102.5 (4)S4—C12—H23108.3
O7—N1—O8120.3 (9)S4—C12—H24108.3
O7—N1—C15122.8 (8)C11—C12—H23108.3
O8—N1—C15116.8 (9)C11—C12—H24108.3
S1—C1—C2113.5 (4)H23—C12—H24109.5
S1—C1—H1108.5S7—C13—F1117.8 (8)
S1—C1—H2108.5S7—C13—F2118.9 (8)
C2—C1—H1108.5S7—C13—F3104.9 (9)
C2—C1—H2108.5F1—C13—F2111 (1)
H1—C1—H2109.5F1—C13—F3100.2 (9)
S2—C2—C1117.2 (4)F2—C13—F399.9 (9)
S2—C2—H3107.5S8—C14—F4112.1 (8)
S2—C2—H4107.5S8—C14—F5109.1 (9)
C1—C2—H3107.5S8—C14—F6112.9 (7)
C1—C2—H4107.5F4—C14—F5103.8 (9)
H3—C2—H4109.5F4—C14—F6110 (1)
S2—C3—C4115.6 (5)F5—C14—F6107.7 (9)
S2—C3—H5107.9N1—C15—H25109.5
S2—C3—H6107.9N1—C15—H26109.5
C4—C3—H5107.9N1—C15—H27109.5
C4—C3—H6107.9H25—C15—H26109.5
H5—C3—H6109.5H25—C15—H27109.5
S3—C4—C3118.1 (4)H26—C15—H27109.5
S3—C4—H7107.3
Symmetry code: (i) x, y, z+1.
 

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