Information card for entry 2224313

Structure parameters

• Chemical name: Bis(2-ethoxycarbonylethyl-κ^2^<i>C</i>^1^,<i>O</i>)(2-thioxo-1,3-dithiole- 4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)tin(IV)
• Formula: C13 H18 O4 S5 Sn
• Calculated formula: C13 H18 O4 S5 Sn
• SMILES: [Sn]123(SC4SC(=S)SC=4S1)([O]=C(OCC)CC2)[O]=C(OCC)CC3
• Title of publication: Bis(2-ethoxycarbonylethyl-κ^2^<i>C</i>^1^,<i>O</i>)(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)tin(IV)
• Authors of publication: de Lima, Geraldo M.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1635 - m1636
• a: 12.1224 ± 0.0002 Å
• b: 13.3825 ± 0.0002 Å
• c: 11.9228 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1934.21 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.037
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes