Information card for entry 7112902

Structure parameters

• Formula: C27 H38 Mo N O P
• Calculated formula: C27 H38 Mo N O P
• SMILES: [Mo]1234([P](C)(C)C)(OCc5ccccc5)(=Nc5c(cccc5C(C)C)C(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: The unexpected mechanism of carbonyl hydrosilylation catalyzed by (Cp)(ArN[double bond, length as m-dash])Mo(H)(PMe(3)).
• Authors of publication: Shirobokov, Oleg G.; Gorelsky, Serge I.; Simionescu, Razvan; Kuzmina, Lyudmila G.; Nikonov, Georgii I.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 41
• Pages of publication: 7831 - 7833
• a: 9.9782 ± 0.0007 Å
• b: 10.3691 ± 0.0007 Å
• c: 14.1074 ± 0.001 Å
• α: 108.594 ± 0.001°
• β: 96.999 ± 0.001°
• γ: 105.379 ± 0.001°
• Cell volume: 1299.42 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0358
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No