Information card for entry 4316613

Structure parameters

• Chemical name: bis[4-[2-methyl-phenyl-imino-kappa-N]-2-pentanonato-kappa-O]bis[tert- butylaminato]-molybdenum(VI)
• Formula: C32 H46 Mo N4 O2
• Calculated formula: C32 H46 Mo N4 O2
• Title of publication: Replacement of an Oxo by an Imido Group in Oxotransferase Model Compounds: Influence on the Oxygen Atom Transfer
• Authors of publication: Nadia C. Mösch-Zanetti; Dietmar Wurm; Manuel Volpe; Ganna Lyashenko; Bastian Harum; Ferdinand Belaj; Judith Baumgartner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8914 - 8921
• a: 20.584 ± 0.003 Å
• b: 9.0773 ± 0.0013 Å
• c: 19.137 ± 0.003 Å
• α: 90°
• β: 117.604 ± 0.011°
• γ: 90°
• Cell volume: 3168.7 ± 0.9 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No