Information card for entry 7012261

Structure parameters

• Formula: C6 H13 Bi O2 S2
• Calculated formula: C6 H13 Bi O2 S2
• Title of publication: Solvent-free synthesis of bismuth thiolates and carboxylates
• Authors of publication: Andrews, Philip C.; Deacon, Glen B.; Jackson, W. Roy; Maguire, Melissa; Scott, Natalie M.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4634
• a: 9.4779 ± 0.0008 Å
• b: 9.8471 ± 0.0008 Å
• c: 21.152 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1974.1 ± 0.3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections: 0.964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No