Information card for entry 4089587

Structure parameters

• Formula: C54 H55 Cl2 Mo N3 O2
• Calculated formula: C53.999 H54.998 Cl1.998 Mo N3 O2
• 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: 11.5255 ± 0.0013 Å
• b: 18.411 ± 0.002 Å
• c: 22.662 ± 0.003 Å
• α: 90°
• β: 102.283 ± 0.002°
• γ: 90°
• Cell volume: 4698.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0325
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No