Information card for entry 4129736

Structure parameters

• Formula: C30 H42 Ni O2 P2 Si
• Calculated formula: C30 H42 Ni O2 P2 Si
• SMILES: c12c3cccc1O[P](C(C)C)(C(C)C)[Ni]2([P](C(C)C)(C(C)C)O3)[SiH](c1ccccc1)c1ccccc1
• Title of publication: Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.
• Authors of publication: Hao, Jingjun; Vabre, Boris; Zargarian, Davit
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 48
• Pages of publication: 15287 - 15298
• a: 11.832 ± 0.0001 Å
• b: 20.1684 ± 0.0002 Å
• c: 25.0196 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5970.49 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No