Information card for entry 7114002

Structure parameters

• Formula: C24 H21 Bi O6 S3
• Calculated formula: C24 H21 Bi O6 S3
• SMILES: [Bi]123(Sc4c(cccc4)C(=[O]1)OC)(Sc1c(cccc1)C(=[O]2)OC)Sc1c(cccc1)C(=[O]3)OC
• Title of publication: Comprehensive characterisation of bismuth thiosalicylate complexes: models for bismuth subsalicylate
• Authors of publication: Burford, Neil; Eelman, Melanie D.; Cameron, T. Stanley
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 1402
• a: 12.683 ± 0.005 Å
• b: 14.118 ± 0.004 Å
• c: 8.123 ± 0.002 Å
• α: 105.19 ± 0.02°
• β: 105.29 ± 0.02°
• γ: 104.22 ± 0.03°
• Cell volume: 1274.3 ± 0.8 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections: 3.446
• Goodness-of-fit parameter for all reflections included in the refinement: 3.45
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No