Information card for entry 4308012

Structure parameters

• Common name: Os2O6(tbupy)4
• Formula: C42 H64 Cl12 N4 O6 Os2
• Calculated formula: C42 H64 Cl12 N4 O6 Os2
• SMILES: [Os]1(=O)(=O)(O[Os](O1)(=O)(=O)([n]1ccc(cc1)C(C)(C)C)[n]1ccc(cc1)C(C)(C)C)([n]1ccc(cc1)C(C)(C)C)[n]1ccc(cc1)C(C)(C)C.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl
• Title of publication: Oxidation of Tertiary Silanes by Osmium Tetroxide
• Authors of publication: Karine Valliant-Saunders; Erica Gunn; G. Robert Shelton; David A. Hrovat; Weston Thatcher Borden; James M. Mayer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5212 - 5219
• a: 12.265 ± 0.0013 Å
• b: 23.736 ± 0.003 Å
• c: 21.737 ± 0.003 Å
• α: 90°
• β: 114.251 ± 0.007°
• γ: 90°
• Cell volume: 5769.7 ± 1.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.2753
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No