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All six AgI atoms of the title compound, [Ag63-C5H4NS)6], are bridged through the six S atoms of the six pyridine-2-thiol­ate ligands to form an Ag6 cluster. Each of the six AgI atoms exhibits a distorted trigonal coordination geometry, with two thiol­ate S atoms and an N atom from three pyridine-2-thiol­ate ligands. The Ag—S distances are in the range 2.459 (3)–2.488 (3) Å and the Ag—N bond distances range from 2.307 (8) to 2.320 (8) Å. Each thiol­ate S atom bridges two AgI atoms. In the hexamer, the six AgI atoms are in a nearly perfect octahedral configuration and this hints at a weak AgI...AgI interaction. The mol­ecule is located on a centre of inversion, with only one half constituting the asymmetric unit.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802011388/bt6157sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536802011388/bt6157Isup2.hkl
Contains datablock I

CCDC reference: 193695

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.019 Å
  • R factor = 0.053
  • wR factor = 0.120
  • Data-to-parameter ratio = 15.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Computing details top

Data collection: SMART (Siemens, 1994); cell refinement: SMART; data reduction: SAINT (Siemens, 1994); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXL97.

Hexakis(µ3-pridine-2-thiolato-κ3N:S:S)hexasilver(I) top
Crystal data top
[Ag6(C5H4NS)6]F(000) = 1248
Mr = 1308.14Dx = 2.254 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 9.9298 (2) ÅCell parameters from 217 reflections
b = 16.4275 (5) Åθ = 2.1–25.0°
c = 12.4812 (4) ŵ = 3.35 mm1
β = 108.817 (1)°T = 293 K
V = 1927.14 (9) Å3Block, pale-yellow
Z = 20.35 × 0.25 × 0.22 mm
Data collection top
Bruker SMART CCD
diffractometer
3348 independent reflections
Radiation source: fine-focus sealed tube2591 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.031
ω scansθmax = 25.0°, θmin = 2.1°
Absorption correction: empirical (using intensity measurements)
(SADABS; Sheldrick, 1996)
h = 811
Tmin = 0.325, Tmax = 0.479k = 1219
6003 measured reflectionsl = 1414
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.053Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.120H atoms treated by a mixture of independent and constrained refinement
S = 1.26 w = 1/[σ2(Fo2) + (0.0246P)2 + 13.1839P]
where P = (Fo2 + 2Fc2)/3
3348 reflections(Δ/σ)max = 0.001
217 parametersΔρmax = 1.01 e Å3
0 restraintsΔρmin = 0.87 e Å3
Special details top

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.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ag11.68877 (8)0.04783 (5)0.03794 (7)0.0539 (2)
Ag21.38476 (8)0.10338 (5)0.10603 (7)0.0525 (2)
Ag31.53237 (8)0.07960 (5)0.14219 (7)0.0500 (2)
S11.6961 (3)0.16783 (15)0.0815 (2)0.0464 (6)
S21.1816 (3)0.08078 (18)0.0349 (2)0.0565 (7)
S31.4008 (3)0.03509 (16)0.2787 (2)0.0465 (6)
N11.4630 (8)0.2360 (5)0.0672 (7)0.047 (2)
N21.3374 (9)0.1479 (5)0.1622 (7)0.053 (2)
N31.6823 (9)0.0596 (5)0.2237 (7)0.054 (2)
C11.5939 (10)0.2487 (6)0.0093 (8)0.043 (2)
C21.6458 (12)0.3284 (6)0.0304 (9)0.058 (3)
H2A1.73420.33780.08420.069*
H3A1.60480.44690.01530.069*
H4A1.37750.42310.14440.069*
H5A1.29230.29090.17460.069*
H7A0.99660.16900.05490.069*
H8A1.03060.24110.22310.069*
H9B1.25940.25900.34910.069*
H10A1.44530.19610.31060.069*
H12A1.45950.08330.47720.069*
H13A1.67040.11220.51660.069*
H14A1.88430.10570.37450.069*
H15A1.89150.07290.19140.069*
C31.5678 (16)0.3927 (7)0.0275 (12)0.074 (4)
C41.4354 (16)0.3789 (8)0.1037 (12)0.077 (4)
C51.3859 (11)0.3005 (8)0.1213 (9)0.061 (3)
C61.2083 (11)0.1384 (6)0.0885 (9)0.049 (2)
C71.0910 (13)0.1747 (8)0.1093 (13)0.077 (4)
C81.1113 (19)0.2177 (8)0.2077 (17)0.098 (5)
C91.244 (2)0.2273 (9)0.2816 (14)0.092 (5)
C101.3521 (14)0.1909 (8)0.2571 (10)0.071 (3)
C111.5596 (11)0.0622 (6)0.3057 (8)0.046 (2)
C121.5506 (13)0.0817 (7)0.4179 (9)0.060 (3)
C131.6745 (18)0.0982 (9)0.4405 (12)0.086 (4)
C141.7985 (15)0.0949 (9)0.3582 (13)0.083 (4)
C151.8019 (12)0.0754 (8)0.2498 (11)0.069 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0473 (5)0.0570 (5)0.0557 (5)0.0004 (4)0.0140 (4)0.0085 (4)
Ag20.0441 (4)0.0642 (5)0.0485 (5)0.0014 (4)0.0141 (4)0.0064 (4)
Ag30.0474 (4)0.0529 (5)0.0490 (5)0.0018 (4)0.0145 (4)0.0046 (4)
S10.0419 (13)0.0497 (15)0.0452 (14)0.0043 (11)0.0107 (11)0.0019 (11)
S20.0436 (14)0.0666 (18)0.0592 (17)0.0027 (13)0.0162 (12)0.0012 (14)
S30.0446 (13)0.0506 (15)0.0435 (14)0.0007 (11)0.0134 (11)0.0023 (11)
N10.052 (5)0.053 (5)0.043 (5)0.006 (4)0.022 (4)0.003 (4)
N20.054 (5)0.054 (5)0.053 (5)0.008 (4)0.021 (4)0.001 (4)
N30.048 (5)0.066 (6)0.051 (5)0.002 (4)0.019 (4)0.000 (4)
C10.046 (5)0.052 (6)0.036 (5)0.004 (4)0.020 (4)0.001 (4)
C20.067 (7)0.048 (6)0.057 (7)0.016 (5)0.018 (6)0.010 (5)
C30.107 (11)0.039 (6)0.087 (9)0.002 (7)0.048 (9)0.004 (6)
C40.090 (10)0.062 (8)0.086 (10)0.021 (7)0.039 (8)0.011 (7)
C50.053 (6)0.079 (8)0.044 (6)0.018 (6)0.005 (5)0.003 (6)
C60.048 (6)0.052 (6)0.053 (6)0.001 (5)0.026 (5)0.007 (5)
C70.066 (8)0.073 (9)0.111 (11)0.013 (6)0.054 (8)0.005 (8)
C80.120 (13)0.062 (9)0.157 (16)0.021 (9)0.107 (13)0.009 (9)
C90.124 (13)0.080 (10)0.103 (12)0.002 (10)0.081 (11)0.005 (8)
C100.090 (9)0.068 (8)0.063 (8)0.004 (7)0.038 (7)0.002 (6)
C110.053 (6)0.039 (5)0.047 (6)0.004 (4)0.019 (5)0.004 (4)
C120.077 (8)0.062 (7)0.049 (6)0.004 (6)0.031 (6)0.007 (5)
C130.113 (12)0.094 (10)0.075 (9)0.027 (9)0.063 (9)0.016 (8)
C140.077 (9)0.104 (11)0.086 (10)0.031 (8)0.052 (8)0.016 (8)
C150.045 (6)0.085 (9)0.079 (8)0.008 (6)0.023 (6)0.021 (7)
Geometric parameters (Å, º) top
Ag1—N32.307 (8)N2—C101.347 (14)
Ag1—S12.459 (3)N3—C111.315 (12)
Ag1—S2i2.488 (3)N3—C151.354 (13)
Ag1—Ag23.0021 (11)C1—C21.401 (13)
Ag1—Ag3i3.0089 (11)C2—H2A0.9300
Ag1—Ag33.1609 (11)C3—C41.371 (18)
Ag1—Ag2i3.2830 (12)C3—H3A0.9570
Ag2—N12.311 (8)C4—C51.370 (17)
Ag2—S22.480 (3)C4—H4A0.9639
Ag2—S32.480 (3)C5—H5A0.9656
Ag2—Ag32.9950 (11)C6—C71.406 (14)
Ag2—Ag3i3.1867 (12)C7—C81.37 (2)
Ag2—Ag1i3.2830 (12)C7—H7A0.9683
Ag3—N22.320 (8)C8—C91.35 (2)
Ag3—S12.472 (3)C8—H8A0.9623
Ag3—S3i2.483 (3)C9—C101.351 (18)
Ag3—Ag1i3.0089 (11)C9—H9B0.9593
Ag3—Ag2i3.1867 (12)C10—H10A0.9539
S1—C11.737 (10)C11—C121.411 (14)
S2—C61.753 (11)C12—C131.375 (17)
S2—Ag1i2.488 (3)C12—H12A0.9663
S3—C111.772 (10)C13—C141.33 (2)
S3—Ag3i2.483 (3)C13—H13A0.9652
N1—C51.355 (13)C14—C151.380 (18)
N1—C11.358 (12)C14—H14A0.9537
N2—C61.324 (13)C15—H15A0.9523
N3—Ag1—S1121.9 (2)C1—S1—Ag1113.6 (3)
N3—Ag1—S2i106.4 (2)C1—S1—Ag3106.0 (3)
S1—Ag1—S2i123.27 (9)Ag1—S1—Ag379.74 (8)
N3—Ag1—Ag289.5 (2)C6—S2—Ag2108.9 (3)
S1—Ag1—Ag276.01 (6)C6—S2—Ag1i102.9 (4)
S2i—Ag1—Ag2135.71 (7)Ag2—S2—Ag1i82.73 (8)
N3—Ag1—Ag3i81.0 (2)C11—S3—Ag2111.2 (3)
S1—Ag1—Ag3i134.00 (7)C11—S3—Ag3i105.3 (3)
S2i—Ag1—Ag3i77.68 (7)Ag2—S3—Ag3i79.90 (8)
Ag2—Ag1—Ag3i64.03 (3)C5—N1—C1119.3 (9)
N3—Ag1—Ag3147.2 (2)C5—N1—Ag2122.4 (7)
S1—Ag1—Ag350.32 (6)C1—N1—Ag2118.3 (6)
S2i—Ag1—Ag3101.25 (7)C6—N2—C10118.7 (9)
Ag2—Ag1—Ag358.08 (2)C6—N2—Ag3121.5 (7)
Ag3i—Ag1—Ag387.99 (3)C10—N2—Ag3119.4 (8)
N3—Ag1—Ag2i132.4 (2)C11—N3—C15118.1 (9)
S1—Ag1—Ag2i104.06 (7)C11—N3—Ag1120.2 (7)
S2i—Ag1—Ag2i48.52 (6)C15—N3—Ag1121.0 (8)
Ag2—Ag1—Ag2i90.23 (3)N1—C1—C2119.2 (9)
Ag3i—Ag1—Ag2i56.65 (2)N1—C1—S1120.9 (7)
Ag3—Ag1—Ag2i59.24 (2)C2—C1—S1120.0 (8)
N1—Ag2—S2108.9 (2)C3—C2—C1120.7 (10)
N1—Ag2—S3119.8 (2)C3—C2—H2A119.7
S2—Ag2—S3122.07 (9)C1—C2—H2A119.7
N1—Ag2—Ag383.5 (2)C2—C3—C4119.4 (11)
S2—Ag2—Ag378.08 (7)C2—C3—H3A120.7
S3—Ag2—Ag3133.85 (7)C4—C3—H3A119.9
N1—Ag2—Ag189.3 (2)C5—C4—C3118.8 (11)
S2—Ag2—Ag1135.47 (7)C5—C4—H4A120.1
S3—Ag2—Ag176.58 (6)C3—C4—H4A121.1
Ag3—Ag2—Ag163.62 (3)N1—C5—C4122.7 (11)
N1—Ag2—Ag3i146.50 (19)N1—C5—H5A118.7
S2—Ag2—Ag3i100.75 (8)C4—C5—H5A118.7
S3—Ag2—Ag3i50.08 (6)N2—C6—C7119.7 (11)
Ag3—Ag2—Ag3i87.76 (3)N2—C6—S2120.8 (7)
Ag1—Ag2—Ag3i58.09 (3)C7—C6—S2119.5 (9)
N1—Ag2—Ag1i135.86 (19)C8—C7—C6119.5 (13)
S2—Ag2—Ag1i48.75 (7)C8—C7—H7A120.5
S3—Ag2—Ag1i102.79 (7)C6—C7—H7A120.1
Ag3—Ag2—Ag1i57.05 (2)C9—C8—C7120.1 (12)
Ag1—Ag2—Ag1i89.77 (3)C9—C8—H8A120.5
Ag3i—Ag2—Ag1i58.47 (2)C7—C8—H8A119.4
N2—Ag3—S1113.8 (2)C8—C9—C10117.8 (14)
N2—Ag3—S3i109.9 (2)C8—C9—H9B120.7
S1—Ag3—S3i126.77 (9)C10—C9—H9B121.5
N2—Ag3—Ag284.3 (2)N2—C10—C9124.3 (13)
S1—Ag3—Ag275.96 (6)N2—C10—H10A117.9
S3i—Ag3—Ag2137.92 (7)C9—C10—H10A117.8
N2—Ag3—Ag1i82.2 (2)N3—C11—C12121.8 (10)
S1—Ag3—Ag1i137.37 (7)N3—C11—S3120.1 (7)
S3i—Ag3—Ag1i76.41 (6)C12—C11—S3118.0 (8)
Ag2—Ag3—Ag1i66.30 (3)C13—C12—C11118.2 (12)
N2—Ag3—Ag1140.8 (2)C13—C12—H12A121.1
S1—Ag3—Ag149.94 (6)C11—C12—H12A120.7
S3i—Ag3—Ag1106.20 (7)C14—C13—C12120.2 (12)
Ag2—Ag3—Ag158.30 (3)C14—C13—H13A120.4
Ag1i—Ag3—Ag192.01 (3)C12—C13—H13A119.4
N2—Ag3—Ag2i137.2 (2)C13—C14—C15119.4 (11)
S1—Ag3—Ag2i106.52 (7)C13—C14—H14A119.8
S3i—Ag3—Ag2i50.01 (6)C15—C14—H14A120.8
Ag2—Ag3—Ag2i92.24 (3)N3—C15—C14122.3 (11)
Ag1i—Ag3—Ag2i57.88 (3)N3—C15—H15A118.9
Ag1—Ag3—Ag2i62.29 (3)C14—C15—H15A118.8
Symmetry code: (i) x+3, y, z.
 

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