Information card for entry 4321947

Structure parameters

• Formula: C10 H18 Mo O3 S3 Si
• Calculated formula: C10 H18 Mo O3 S3 Si
• SMILES: [Mo]12([S](C[Si](C)(C[S]1C)C[S]2C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Tris[(alkylthio)methyl]silanes: Syntheses and Structures of Chromium, Molybdenum, and Tungsten Complexes with a Tripodal Thioether Ligand
• Authors of publication: Hing W. Yim; Linh M. Tran; Ebern D. Dobbin; Daniel Rabinovich; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2211 - 2215
• a: 8.3463 ± 0.00006 Å
• b: 15.2747 ± 0.0002 Å
• c: 27.1865 ± 0.0004 Å
• α: 90°
• β: 90.8987 ± 0.0009°
• γ: 90°
• Cell volume: 3465.51 ± 0.07 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.0603
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No