Information card for entry 4326569

Structure parameters

• Common name: MoI2(CO)2(CNArDipp2)2
• Formula: C64 H74 I1.95 Mo N2 O2
• Calculated formula: C63.5 H74 I1.9532 Mo1.00005 N1.5 O2
• 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: 24.3913 ± 0.0006 Å
• b: 24.3951 ± 0.0006 Å
• c: 21.1052 ± 0.0005 Å
• α: 90°
• β: 107.99 ± 0.001°
• γ: 90°
• Cell volume: 11944.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No