Information card for entry 4311690

Structure parameters

• Formula: C15 H16 Bi N5 O9 S
• Calculated formula: C15 H16 Bi N5 O9 S
• SMILES: [Bi]12(SC[C@H]([NH3+])C(=O)O1)(ON(=O)=O)([OH2])[n]1cccc3ccc4ccc[n]2c4c13.O=N(=O)[O-]
• 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: 9.219 ± 0.002 Å
• b: 13.422 ± 0.004 Å
• c: 8.755 ± 0.002 Å
• α: 93.39 ± 0.03°
• β: 110.01 ± 0.02°
• γ: 101.34 ± 0.02°
• Cell volume: 988.6 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No