Information card for entry 2012087

Structure parameters

• Chemical name: (2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')diphenylstannane
• Formula: C15 H10 S5 Sn
• Calculated formula: C15 H10 S5 Sn
• SMILES: [Sn]1(SC2=C(S1)SC(=S)S2)(c1ccccc1)(c1ccccc1)[S]=C1SC2S[Sn](SC=2S1)(c1ccccc1)c1ccccc1
• Title of publication: Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S</i>,<i>S</i>')stannane at 150K
• Authors of publication: Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 787 - 789
• a: 17.3574 ± 0.0005 Å
• b: 9.227 ± 0.0002 Å
• c: 10.3775 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1662.03 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes