Information card for entry 4321946

Structure parameters

• Formula: C10 H18 Cr O3 S3 Si
• Calculated formula: C10 H18 Cr O3 S3 Si
• SMILES: [Cr]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: 8.1658 ± 0.0002 Å
• b: 15.0563 ± 0.0002 Å
• c: 26.5791 ± 0.0003 Å
• α: 90°
• β: 90.3653 ± 0.0006°
• γ: 90°
• Cell volume: 3267.75 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0654
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No