Information card for entry 4068562

Structure parameters

• Formula: C22 H40 Ni O2 P2
• Calculated formula: C22 H40 Ni O2 P2
• Title of publication: Hydrosilylation of Aldehydes and Ketones Catalyzed by Nickel PCP-Pincer Hydride Complexes
• Authors of publication: Chakraborty, Sumit; Krause, Jeanette A.; Guan, Hairong
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 582
• a: 11.0751 ± 0.0002 Å
• b: 9.2096 ± 0.0002 Å
• c: 12.9521 ± 0.0002 Å
• α: 90°
• β: 111.55 ± 0.001°
• γ: 90°
• Cell volume: 1228.73 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No