Information card for entry 4112941

Structure parameters

• Common name: (NCN)Mo(OC[Ad]Mes)4
• Formula: C87 H100 Mo N2 O5.5
• Calculated formula: C87 H100 Mo N2 O5.5
• Title of publication: A Homoleptic Molybdenum(IV) Enolate Complex: Synthesis, Molecular and Electronic Structure, and NCN Group Transfer To Form a Terminal Cyanoimide of Molybdenum(VI)
• Authors of publication: Han Sen Soo; Joshua S. Figueroa; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 11370 - 11376
• a: 34.554 ± 0.004 Å
• b: 20.891 ± 0.002 Å
• c: 24.73 ± 0.003 Å
• α: 90°
• β: 99.32 ± 0.002°
• γ: 90°
• Cell volume: 17616 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No