Information card for entry 4311689

Structure parameters

• Formula: C7 H14 Bi N O2 S2
• Calculated formula: C7 H14 Bi N O2 S2
• SMILES: [Bi]12(SC(C(=O)O1)C)SCC[N]2(C)C
• Title of publication: Identification, Isolation, and Characterization of Cysteinate and Thiolactate Complexes of Bismuth
• Authors of publication: Glen G. Briand; Neil Burford; Melanie D. Eelman; Nadia Aumeerally; Luke Chen; T. Stanley Cameron; Katherine N. Robertson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6495 - 6500
• a: 8.847 ± 0.006 Å
• b: 7.434 ± 0.005 Å
• c: 9.51 ± 0.006 Å
• α: 90°
• β: 111.89 ± 0.05°
• γ: 90°
• Cell volume: 580.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No