Information card for entry 4133323

Structure parameters

• Formula: C62 H76 Mo O5 Si2
• Calculated formula: C62 H76 Mo O5 Si2
• Title of publication: Syntheses of Molybdenum Oxo Benzylidene Complexes.
• Authors of publication: Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 42
• Pages of publication: 13609 - 13613
• a: 11.0925 ± 0.0007 Å
• b: 15.0304 ± 0.001 Å
• c: 34.812 ± 0.003 Å
• α: 90°
• β: 90.062 ± 0.002°
• γ: 90°
• Cell volume: 5804 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No