Information card for entry 4132031

Structure parameters

• Formula: C24 H25 F12 Mo O4 P
• Calculated formula: C24 H25 F12 Mo O4 P
• SMILES: O=[Mo]1(=Cc2ccccc2[O]1C)([P](c1ccccc1)(C)C)(OC(C(F)(F)F)(C(F)(F)F)C)OC(C(F)(F)F)(C(F)(F)F)C
• Title of publication: Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex.
• Authors of publication: 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: 8
• Pages of publication: 2797 - 2800
• a: 10.1656 ± 0.001 Å
• b: 10.6334 ± 0.0011 Å
• c: 14.9661 ± 0.0015 Å
• α: 89.0887 ± 0.0016°
• β: 71.4763 ± 0.0015°
• γ: 66.749 ± 0.0015°
• Cell volume: 1398.2 ± 0.2 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: 0.0207
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No