Information card for entry 4084293

Structure parameters

• Formula: C48 H70 Cl2 N2 Ni2 P2
• Calculated formula: C48 H70 Cl2 N2 Ni2 P2
• SMILES: C(C)(C)[P]1(c2ccccc2N([Ni]21[Cl][Ni]1(N(c3c(cccc3)[P]1(C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)[Cl]2)c1c(C(C)C)cccc1C(C)C)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: 11.6246 ± 0.001 Å
• b: 13.8692 ± 0.0012 Å
• c: 16.3569 ± 0.0018 Å
• α: 90 ± 0.004°
• β: 92.935 ± 0.004°
• γ: 90 ± 0.007°
• Cell volume: 2633.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2001
• Residual factor for significantly intense reflections: 0.129
• Weighted residual factors for significantly intense reflections: 0.3135
• Weighted residual factors for all reflections included in the refinement: 0.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No