Information card for entry 7033001

Structure parameters

• Common name: (MeClamp)Mo . CH3CN
• Chemical name: κ7-[Tris(2-(3,5-di-tert-butyl-2-oxyphenyl)amido-4-methylphenyl)amino]molybdenum(VI) acetonitrile solvate
• Formula: C65 H81 Mo N5 O3
• Calculated formula: C65 H81 Mo N5 O3
• Title of publication: Redox activity and π bonding in a tripodal seven-coordinate molybdenum(VI) tris(amidophenolate).
• Authors of publication: Marshall-Roth, Travis; Brown, Seth N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 677 - 685
• a: 20.1764 ± 0.0012 Å
• b: 46.334 ± 0.003 Å
• c: 12.7362 ± 0.0007 Å
• α: 90°
• β: 94.734 ± 0.004°
• γ: 90°
• Cell volume: 11865.9 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1305
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No