Information card for entry 4315861

Structure parameters

• Formula: C36 H51 Mo N O9 S4 Si
• Calculated formula: C36 H48 Mo N O9 S4 Si
• Title of publication: Monooxomolybdenum(VI) Complexes Possessing Olefinic Dithiolene Ligands: Probing Mo-S Covalency Contributions to Electron Transfer in Dimethyl Sulfoxide Reductase Family Molybdoenzymes
• Authors of publication: Hideki Sugimoto; Susumu Tatemoto; Koichiro Suyama; Hiroyuki Miyake; Regina P. Mtei; Shinobu Itoh; Martin L. Kirk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5368 - 5370
• a: 10.4641 ± 0.0016 Å
• b: 18.324 ± 0.003 Å
• c: 22.244 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4265.2 ± 1.2 ų
• Cell temperature: 100.1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No