Information card for entry 4319515

Structure parameters

• Common name: Potassium Methyl-Trithiocarbonate
• Formula: C2 H3 K S3
• Calculated formula: C2 H3 K S3
• SMILES: [K+].S=C([S-])SC
• Title of publication: Carbonates, Thiocarbonates, and the Corresponding Monoalkyl Derivatives. 2. X-ray Crystal Structure of Potassium Methyltrithiocarbonate (KS2CSCH3)
• Authors of publication: Dirk Stueber; Atta M. Arif; David M. Grant; Robert W. Parry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1912 - 1914
• a: 7.6639 ± 0.0003 Å
• b: 6.5804 ± 0.0002 Å
• c: 12.8426 ± 0.0005 Å
• α: 90°
• β: 91.565 ± 0.002°
• γ: 90°
• Cell volume: 647.43 ± 0.04 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 4
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0695
• 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