Information card for entry 4323134

Structure parameters

• Formula: C17 H32 In N S3
• Calculated formula: C17 H32 In N S3
• SMILES: [In](SC(C)(C)C)(SC(C)(C)C)(SC(C)(C)C)[n]1ccccc1
• Title of publication: Indium Tris(alkylthiolate) Compounds
• Authors of publication: Seigi Suh; David M. Hoffman
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5823 - 5826
• a: 10.149 ± 0.0005 Å
• b: 24.3811 ± 0.0013 Å
• c: 18.8484 ± 0.001 Å
• α: 90°
• β: 104.81 ± 0.001°
• γ: 90°
• Cell volume: 4509 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0221
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No