Information card for entry 4508372

Structure parameters

• Formula: C36 H47 N3 Zn
• Calculated formula: C36 H47 N3 Zn
• Title of publication: Unexpected Role of Zinc Hydride in Catalytic Hydrosilylation of Ketones and Nitriles
• Authors of publication: Boone, Courtney; Korobkov, Ilia; Nikonov, Georgii I.
• Journal of publication: ACS Catalysis
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 2336
• a: 12.4548 ± 0.0003 Å
• b: 12.8516 ± 0.0003 Å
• c: 20.4735 ± 0.0005 Å
• α: 90°
• β: 93.992 ± 0.001°
• γ: 90°
• Cell volume: 3269.12 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0516
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1083
• 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: No
• Has Fobs: No