Information card for entry 4084299

Structure parameters

• Formula: C29 H41 N Ni P2
• Calculated formula: C29 H41 N Ni P2
• SMILES: C(C)(C)[P]1(C(C)C)c2ccccc2N(c2c(C)cccc2C)[Ni]1(c1ccccc1)[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: 16.8265 ± 0.0002 Å
• b: 9.4487 ± 0.0004 Å
• c: 17.6118 ± 0.0005 Å
• α: 90 ± 0.001°
• β: 90.567 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 2799.94 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2265
• Weighted residual factors for all reflections included in the refinement: 0.2531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No