Information card for entry 4084300

Structure parameters

• Formula: C23 H37 N Ni P2
• Calculated formula: C23 H37 N Ni P2
• SMILES: [NiH]1([P](C(C)C)(C(C)C)c2ccccc2N1c1c(C)cccc1C)[P](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: 29.8364 ± 0.0006 Å
• b: 8.916 ± 0.0002 Å
• c: 18.7494 ± 0.0005 Å
• α: 90°
• β: 105.144 ± 0.001°
• γ: 90°
• Cell volume: 4814.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No