Information card for entry 4103823

Structure parameters

• Chemical name: (2,6-disipropylimido)(tris(trimetylphosphine))(hydrido)molybdenum chloride
• Formula: C21 H45 Cl Mo N P3
• Calculated formula: C21 H45 Cl Mo N P3
• SMILES: [MoH](Cl)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)=Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Diversity of Catalysis by an Imido-Hydrido Complex of Molybdenum. Mechanism of Carbonyl Hydrosilylation and Silane Alcoholysis
• Authors of publication: Erik Peterson; Andrey Y. Khalimon; Razvan Simionescu; Lyudmila G. Kuzmina; Judith A. K. Howard; Georgii I. Nikonov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 908 - 909
• a: 21.8377 ± 0.0008 Å
• b: 15.3687 ± 0.0006 Å
• c: 18.347 ± 0.0007 Å
• α: 90°
• β: 114.664 ± 0.001°
• γ: 90°
• Cell volume: 5595.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No