Information card for entry 4084298

Structure parameters

• Formula: C27 H47 N Ni P2 Si
• Calculated formula: C27 H47 N Ni P2 Si
• SMILES: [Ni]1([P](C(C)C)(C(C)C)c2ccccc2N1c1c(C)cccc1C)([P](C)(C)C)C[Si](C)(C)C
• Title of publication: Nickel(II) Complexes Containing Bidentate Diarylamido Phosphine Chelates: Kumada Couplings Kinetically Preferred to β-Hydrogen Elimination
• Authors of publication: Chen, Ming-Tsz; Lee, Wei-Ying; Tsai, Tzung-Ling; Liang, Lan-Chang
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5852
• a: 9.4028 ± 0.0001 Å
• b: 10.6684 ± 0.0002 Å
• c: 16.8569 ± 0.0003 Å
• α: 80.718 ± 0.001°
• β: 74.232 ± 0.001°
• γ: 67.142 ± 0.001°
• Cell volume: 1496.57 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No