Information card for entry 4125314

Structure parameters

• Formula: C60 H72 Cl F5 Mo N O P
• Calculated formula: C60 H72 Cl F5 Mo N O P
• Title of publication: Synthesis and Evaluation of Molybdenum and Tungsten Monoaryloxide Halide Alkylidene Complexes for Z-Selective Cross-Metathesis of Cyclooctene and Z-1,2-Dichloroethylene.
• Authors of publication: Lam, Jonathan K.; Zhu, Congqing; Bukhryakov, Konstantin V.; Müller, Peter; Hoveyda, Amir; Schrock, Richard R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 48
• Pages of publication: 15774 - 15783
• a: 12.9558 ± 0.0011 Å
• b: 27.591 ± 0.002 Å
• c: 20.4711 ± 0.0016 Å
• α: 90°
• β: 94.7881 ± 0.0016°
• γ: 90°
• Cell volume: 7292.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No