Information card for entry 2012209

Structure parameters

• Chemical name: Bis(4-methylpentan-2-onato-C^4^,O)(2-thioxo-1,3-dithiole-4,5-dithiolato- S,S')tin(IV)
• Formula: C15 H22 O2 S5 Sn
• Calculated formula: C15 H22 O2 S5 Sn
• SMILES: [Sn]1(SC2SC(=S)SC=2S1)(C(CC(=O)C)(C)C)C(CC(=O)C)(C)C
• Title of publication: Dichlorobis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)tin(IV) and bis(4-methylpentan-2-onato-<i>C</i>^4^,<i>O</i>)(2-thioxo-1,3-dithiole-4,5-dithiolato-<i>S,S</i>')tin(IV) at 150K
• Authors of publication: Howie, R. Alan; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1041 - 1043
• a: 11.067 ± 0.0002 Å
• b: 15.4499 ± 0.0004 Å
• c: 12.2682 ± 0.0002 Å
• α: 90°
• β: 94.7892 ± 0.0016°
• γ: 90°
• Cell volume: 2090.34 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No