Information card for entry 4068561

Structure parameters

• Formula: C22 H39 Cl Ni O2 P2
• Calculated formula: C22 H39 Cl Ni O2 P2
• SMILES: [Ni]12(Cl)[P](Oc3c2c(O[P]1(C(C)(C)C)C(C)(C)C)ccc3)(C(C)(C)C)C(C)(C)C
• 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: 8.3879 ± 0.0002 Å
• b: 11.7974 ± 0.0002 Å
• c: 13.38 ± 0.0003 Å
• α: 99.589 ± 0.001°
• β: 96.029 ± 0.001°
• γ: 104.354 ± 0.001°
• Cell volume: 1249.84 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No