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The mol­ecule of the title compound, [SnCl4(C2H6S)2], is located on a centre of inversion with a half-mol­ecule in the asymmetric unit. The Sn atom shows a quadratic bipyramidal coordination.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805026346/hg6232sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805026346/hg6232Isup2.hkl
Contains datablock I

CCDC reference: 283932

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](S-C)= 0.002 Å
  • R factor = 0.018
  • wR factor = 0.041
  • Data-to-parameter ratio = 32.7

checkCIF/PLATON results

No syntax errors found


No errors found in this datablock

Computing details top

Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL-Plus (Sheldrick, 1991); software used to prepare material for publication: SHELXL97.

cis-trans-Tetrachlorobis(dimethyl sulfide-κS)tin top
Crystal data top
[SnCl4(C2H6S)2]F(000) = 372
Mr = 384.75Dx = 2.021 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 19113 reflections
a = 6.6711 (5) Åθ = 3.5–29.9°
b = 12.2317 (8) ŵ = 3.14 mm1
c = 8.1051 (6) ÅT = 173 K
β = 107.068 (6)°Block, colourless
V = 632.24 (8) Å30.10 × 0.07 × 0.04 mm
Z = 2
Data collection top
Stoe IPDS-II two-circle
diffractometer
1798 independent reflections
Radiation source: fine-focus sealed tube1673 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.040
ω scansθmax = 29.7°, θmin = 3.5°
Absorption correction: multi-scan
(MULABS; Spek, 2003; Blessing, 1995)
h = 99
Tmin = 0.744, Tmax = 0.885k = 1717
15669 measured reflectionsl = 1111
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.018H-atom parameters constrained
wR(F2) = 0.042 w = 1/[σ2(Fo2) + (0.0222P)2 + 0.192P]
where P = (Fo2 + 2Fc2)/3
S = 1.13(Δ/σ)max = 0.001
1798 reflectionsΔρmax = 0.45 e Å3
55 parametersΔρmin = 0.48 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0191 (10)
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
Sn10.50000.50000.50000.01393 (6)
S10.67913 (6)0.33949 (3)0.38198 (5)0.01780 (9)
C10.6112 (3)0.36579 (15)0.1524 (2)0.0247 (3)
H1A0.62970.29880.09220.037*
H1B0.70250.42320.13040.037*
H1C0.46470.38960.11040.037*
C20.5112 (3)0.22317 (14)0.3818 (3)0.0269 (4)
H2A0.36420.24500.33430.040*
H2B0.53550.19690.50030.040*
H2C0.54320.16470.31090.040*
Cl10.83790 (7)0.54782 (4)0.69638 (6)0.02571 (10)
Cl20.55818 (7)0.62356 (3)0.28625 (5)0.02521 (10)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.01479 (8)0.01384 (8)0.01297 (8)0.00220 (5)0.00379 (5)0.00039 (5)
S10.01818 (17)0.01753 (17)0.01754 (17)0.00060 (13)0.00502 (13)0.00041 (13)
C10.0306 (9)0.0275 (8)0.0170 (7)0.0036 (7)0.0086 (6)0.0001 (6)
C20.0323 (9)0.0165 (7)0.0341 (9)0.0037 (6)0.0132 (7)0.0019 (6)
Cl10.01714 (17)0.0261 (2)0.0292 (2)0.00181 (14)0.00058 (14)0.00653 (15)
Cl20.0368 (2)0.02065 (18)0.02193 (19)0.00288 (16)0.01445 (16)0.00460 (14)
Geometric parameters (Å, º) top
Sn1—Cl22.4147 (4)S1—C21.8105 (18)
Sn1—Cl2i2.4147 (4)C1—H1A0.9800
Sn1—Cl1i2.4188 (5)C1—H1B0.9800
Sn1—Cl12.4188 (5)C1—H1C0.9800
Sn1—S12.6208 (4)C2—H2A0.9800
Sn1—S1i2.6208 (4)C2—H2B0.9800
S1—C11.8099 (18)C2—H2C0.9800
Cl2—Sn1—Cl2i180.0C1—S1—C299.84 (9)
Cl2—Sn1—Cl1i89.669 (17)C1—S1—Sn1103.81 (6)
Cl2i—Sn1—Cl1i90.331 (17)C2—S1—Sn1103.93 (6)
Cl2—Sn1—Cl190.332 (17)S1—C1—H1A109.5
Cl2i—Sn1—Cl189.668 (17)S1—C1—H1B109.5
Cl1i—Sn1—Cl1180.0H1A—C1—H1B109.5
Cl2—Sn1—S191.174 (14)S1—C1—H1C109.5
Cl2i—Sn1—S188.826 (14)H1A—C1—H1C109.5
Cl1i—Sn1—S190.879 (14)H1B—C1—H1C109.5
Cl1—Sn1—S189.120 (14)S1—C2—H2A109.5
Cl2—Sn1—S1i88.826 (15)S1—C2—H2B109.5
Cl2i—Sn1—S1i91.175 (14)H2A—C2—H2B109.5
Cl1i—Sn1—S1i89.121 (14)S1—C2—H2C109.5
Cl1—Sn1—S1i90.880 (14)H2A—C2—H2C109.5
S1—Sn1—S1i180.0H2B—C2—H2C109.5
Cl2—Sn1—S1—C133.54 (7)Cl2—Sn1—S1—C2137.56 (7)
Cl2i—Sn1—S1—C1146.46 (7)Cl2i—Sn1—S1—C242.44 (7)
Cl1i—Sn1—S1—C156.15 (7)Cl1i—Sn1—S1—C247.87 (7)
Cl1—Sn1—S1—C1123.85 (7)Cl1—Sn1—S1—C2132.13 (7)
Symmetry code: (i) x+1, y+1, z+1.
 

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