Acta Cryst. (2008). E64, m1410 [ doi:10.1107/S1600536808032790 ]
The molecule of the title compound, [Sn(C5H5S)4], lies on a special position of 
site symmetry. The SnIV atom shows a slightly distorted tetrahedral coordination.
The title compound was synthesized as reported previously (Kumar Das et al., 1987). Single crystals were obtained upon recrystallization from chloroform.
H-atoms were placed in calculated positions (C-H = 0.95-0.98 Å) and were included in the refinement in the riding model approximation, with U(H) set to 1.2–1.5Ueq(C).
Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2008).
![[Figure 1]](./ci2670fig1thm.gif)
| Fig. 1. Displacement ellipsoid plot (Barbour, 2001) of [Sn(C5H5S)4] at the 70% probability level. H atoms are drawn as spheres of arbitrary radii. |
| [Sn(C5H5S)4] | Dx = 1.641 Mg m−3 |
| Mr = 507.29 | Mo Kα radiation, λ = 0.71073 Å |
| Tetragonal, I4 | Cell parameters from 2958 reflections |
| Hall symbol: I -4 | θ = 2.5–28.3° |
| a = 11.6286 (9) Å | µ = 1.65 mm−1 |
| c = 7.5918 (6) Å | T = 100 K |
| V = 1026.6 (1) Å3 | Prism, colourless |
| Z = 2 | 0.30 × 0.25 × 0.10 mm |
| F(000) = 508 |
| Bruker SMART APEX diffractometer | 1151 independent reflections |
| Radiation source: fine-focus sealed tube | 1149 reflections with I > 2σ(I) |
| graphite | Rint = 0.014 |
| ω scans | θmax = 27.5°, θmin = 2.5° |
| Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −15→14 |
| Tmin = 0.637, Tmax = 0.852 | k = −15→13 |
| 2948 measured reflections | l = −9→8 |
| Refinement on F2 | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| R[F2 > 2σ(F2)] = 0.012 | H-atom parameters constrained |
| wR(F2) = 0.028 | w = 1/[σ2(Fo2) + (0.0145P)2] where P = (Fo2 + 2Fc2)/3 |
| S = 1.01 | (Δ/σ)max = 0.001 |
| 1151 reflections | Δρmax = 0.45 e Å−3 |
| 58 parameters | Δρmin = −0.21 e Å−3 |
| 0 restraints | Absolute structure: Flack (1983), 513 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: 0.005 (14) |
| [Sn(C5H5S)4] | Z = 2 |
| Mr = 507.29 | Mo Kα radiation |
| Tetragonal, I4 | µ = 1.65 mm−1 |
| a = 11.6286 (9) Å | T = 100 K |
| c = 7.5918 (6) Å | 0.30 × 0.25 × 0.10 mm |
| V = 1026.6 (1) Å3 |
| Bruker SMART APEX diffractometer | 1151 independent reflections |
| Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 1149 reflections with I > 2σ(I) |
| Tmin = 0.637, Tmax = 0.852 | Rint = 0.014 |
| 2948 measured reflections | θmax = 27.5° |
| R[F2 > 2σ(F2)] = 0.012 | H-atom parameters constrained |
| wR(F2) = 0.028 | Δρmax = 0.45 e Å−3 |
| S = 1.01 | Δρmin = −0.21 e Å−3 |
| 1151 reflections | Absolute structure: Flack (1983), 513 Friedel pairs |
| 58 parameters | Flack parameter: 0.005 (14) |
| 0 restraints |
| x | y | z | Uiso*/Ueq | ||
| Sn1 | 0.5000 | 0.5000 | 0.5000 | 0.01202 (5) | |
| S1 | 0.36597 (3) | 0.74692 (3) | 0.61422 (5) | 0.02012 (9) | |
| C1 | 0.46144 (12) | 0.63979 (12) | 0.6694 (2) | 0.0140 (3) | |
| C2 | 0.50206 (12) | 0.65832 (13) | 0.8364 (2) | 0.0134 (3) | |
| H2 | 0.5562 | 0.6088 | 0.8914 | 0.016* | |
| C3 | 0.45677 (14) | 0.75770 (14) | 0.9212 (2) | 0.0154 (3) | |
| C4 | 0.38176 (14) | 0.81447 (13) | 0.8139 (2) | 0.0192 (3) | |
| H4 | 0.3429 | 0.8832 | 0.8459 | 0.023* | |
| C5 | 0.48542 (16) | 0.79485 (16) | 1.1056 (2) | 0.0206 (4) | |
| H5A | 0.4919 | 0.8788 | 1.1097 | 0.031* | |
| H5B | 0.5586 | 0.7602 | 1.1414 | 0.031* | |
| H5C | 0.4244 | 0.7697 | 1.1859 | 0.031* |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Sn1 | 0.01360 (6) | 0.01360 (6) | 0.00885 (9) | 0.000 | 0.000 | 0.000 |
| S1 | 0.0221 (2) | 0.0223 (2) | 0.0160 (2) | 0.00775 (16) | −0.00468 (16) | 0.00016 (16) |
| C1 | 0.0138 (7) | 0.0138 (7) | 0.0144 (8) | 0.0010 (5) | 0.0011 (6) | 0.0019 (6) |
| C2 | 0.0133 (6) | 0.0140 (7) | 0.0129 (8) | 0.0000 (5) | 0.0011 (6) | 0.0020 (6) |
| C3 | 0.0165 (8) | 0.0151 (8) | 0.0146 (8) | −0.0017 (6) | 0.0023 (6) | 0.0011 (6) |
| C4 | 0.0220 (8) | 0.0172 (8) | 0.0185 (9) | 0.0055 (6) | 0.0014 (7) | −0.0008 (7) |
| C5 | 0.0267 (9) | 0.0213 (9) | 0.0139 (9) | −0.0005 (7) | 0.0007 (7) | −0.0030 (7) |
| Sn1—C1i | 2.1209 (15) | C2—H2 | 0.95 |
| Sn1—C1 | 2.1209 (15) | C3—C4 | 1.364 (2) |
| Sn1—C1ii | 2.1209 (15) | C3—C5 | 1.502 (2) |
| Sn1—C1iii | 2.1209 (15) | C4—H4 | 0.95 |
| S1—C4 | 1.7173 (16) | C5—H5A | 0.98 |
| S1—C1 | 1.7206 (15) | C5—H5B | 0.98 |
| C1—C2 | 1.370 (2) | C5—H5C | 0.98 |
| C2—C3 | 1.424 (2) | ||
| C1i—Sn1—C1 | 111.58 (4) | C4—C3—C2 | 111.07 (15) |
| C1i—Sn1—C1ii | 105.32 (8) | C4—C3—C5 | 124.00 (16) |
| C1—Sn1—C1ii | 111.58 (4) | C2—C3—C5 | 124.92 (16) |
| C1i—Sn1—C1iii | 111.58 (4) | C3—C4—S1 | 111.98 (12) |
| C1—Sn1—C1iii | 105.32 (8) | C3—C4—H4 | 124.0 |
| C1ii—Sn1—C1iii | 111.58 (4) | S1—C4—H4 | 124.0 |
| C4—S1—C1 | 92.70 (8) | C3—C5—H5A | 109.5 |
| C2—C1—S1 | 109.51 (12) | C3—C5—H5B | 109.5 |
| C2—C1—Sn1 | 127.51 (11) | H5A—C5—H5B | 109.5 |
| S1—C1—Sn1 | 122.93 (8) | C3—C5—H5C | 109.5 |
| C1—C2—C3 | 114.74 (14) | H5A—C5—H5C | 109.5 |
| C1—C2—H2 | 122.6 | H5B—C5—H5C | 109.5 |
| C3—C2—H2 | 122.6 | ||
| C4—S1—C1—C2 | 0.03 (12) | S1—C1—C2—C3 | 0.28 (17) |
| C4—S1—C1—Sn1 | 177.81 (9) | Sn1—C1—C2—C3 | −177.37 (11) |
| C1i—Sn1—C1—C2 | 149.39 (12) | C1—C2—C3—C4 | −0.54 (19) |
| C1ii—Sn1—C1—C2 | −93.09 (10) | C1—C2—C3—C5 | 178.39 (14) |
| C1iii—Sn1—C1—C2 | 28.15 (11) | C2—C3—C4—S1 | 0.54 (17) |
| C1i—Sn1—C1—S1 | −27.98 (10) | C5—C3—C4—S1 | −178.40 (12) |
| C1ii—Sn1—C1—S1 | 89.54 (12) | C1—S1—C4—C3 | −0.34 (13) |
| C1iii—Sn1—C1—S1 | −149.22 (11) |
| Symmetry codes: (i) −y+1, x, −z+1; (ii) y, −x+1, −z+1; (iii) −x+1, −y+1, z. |
The authors thank the University of Malaya for funding this study (grant No. FR155/2007A) and also for the purchase of the diffractometer.
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Westrip, S. P. (2008). publCIF. In preparation.
