Information card for entry 4314698

Structure parameters

• Formula: C17 H41 N S Si
• Calculated formula: C17 H41 N S Si
• SMILES: [S-][Si](C(C)C)(C(C)C)C(C)C.[N+](CC)(CC)(CC)CC
• Title of publication: Reactions of Monodithiolene Tungsten(VI) Sulfido Complexes with Copper(I) in Relation to the Structure of the Active Site of Carbon Monoxide Dehydrogenase
• Authors of publication: Stanislav Groysman; Amit Majumdar; Shao-Liang Zheng; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1082 - 1089
• a: 12.8405 ± 0.0015 Å
• b: 11.762 ± 0.0013 Å
• c: 14.3373 ± 0.0017 Å
• α: 90°
• β: 106.866 ± 0.002°
• γ: 90°
• Cell volume: 2072.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No