Information card for entry 4089588

Structure parameters

• Formula: C64.5 H63 Cl3 Mo N3 O P
• Calculated formula: C64.499 H62.998 Cl2.998 Mo N3 O P
• 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: 12.6179 ± 0.0019 Å
• b: 20.931 ± 0.003 Å
• c: 21.512 ± 0.003 Å
• α: 90°
• β: 98.621 ± 0.003°
• γ: 90°
• Cell volume: 5617.2 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No