Information card for entry 4089584

Structure parameters

• Formula: C60 H71 B Mo N2 O3
• Calculated formula: C60 H71 B Mo N2 O3
• Title of publication: Synthesis of High Oxidation State Molybdenum Imido Heteroatom-Substituted Alkylidene Complexes.
• Authors of publication: Townsend, Erik M.; Kilyanek, Stefan M.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4612 - 4617
• a: 11.221 ± 0.002 Å
• b: 14.951 ± 0.003 Å
• c: 15.986 ± 0.003 Å
• α: 79.245 ± 0.004°
• β: 80.12 ± 0.004°
• γ: 81.881 ± 0.004°
• Cell volume: 2579.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No