Information card for entry 4327965

Structure parameters

• Formula: C27 H52 Mo N P3 Si
• Calculated formula: C27 H52 Mo N P3 Si
• SMILES: [MoH]([SiH2]c1ccccc1)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)=Nc1c(cccc1C(C)C)C(C)C
• Title of publication: An Unexpected Mechanism of Hydrosilylation by a Silyl Hydride Complex of Molybdenum
• Authors of publication: Andrey Y. Khalimon; Stanislav K. Ignatov; Razvan Simionescu; Lyudmila G. Kuzmina; Judith A. K. Howard; Georgii I Nikonov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 754 - 756
• a: 8.9866 ± 0.0002 Å
• b: 10.0238 ± 0.0002 Å
• c: 20.0398 ± 0.0005 Å
• α: 90.607 ± 0.001°
• β: 99.714 ± 0.001°
• γ: 112.515 ± 0.001°
• Cell volume: 1638.07 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0385
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No