Information card for entry 4326574

Structure parameters

• Common name: Mo(CO)(O2CMe)2(CNArDipp2)2
• Formula: C67 H80 Mo N2 O5
• Calculated formula: C67 H80 Mo N2 O5
• SMILES: [Mo]12([O]=C(O1)C)([O]=C(O2)C)(C#[N]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C#[O]
• Title of publication: Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes
• Authors of publication: Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10448 - 10459
• a: 10.8652 ± 0.0007 Å
• b: 14.4045 ± 0.0009 Å
• c: 21.3033 ± 0.0013 Å
• α: 109.383 ± 0.001°
• β: 93.695 ± 0.001°
• γ: 101.965 ± 0.001°
• Cell volume: 3044.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No