Information card for entry 4068055

Structure parameters

• Formula: C26 H37 N Ni O2 P2
• Calculated formula: C26 H37 N Ni O2 P2
• SMILES: [Ni]1([P](C(C)C)(C(C)C)c2ccccc2Nc2ccccc2[P]1(C(C)C)C(C)C)(C#[O])C#[O]
• Title of publication: Divergent Carbonylation Reactivity Preferences of Nickel Complexes Containing Amido Pincer Ligands: Migratory Insertion versus Reductive Elimination
• Authors of publication: Liang, Lan-Chang; Hung, Yu-Ting; Huang, Yu-Lun; Chien, Pin-Shu; Lee, Pei-Ying; Chen, Wei-Chen
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 700
• a: 10.0031 ± 0.0002 Å
• b: 16.4058 ± 0.0004 Å
• c: 18.7458 ± 0.0005 Å
• α: 64.688 ± 0.001°
• β: 75.422 ± 0.001°
• γ: 90.006 ± 0.001°
• Cell volume: 2670.99 ± 0.11 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: 0.1671
• Residual factor for significantly intense reflections: 0.1348
• Weighted residual factors for significantly intense reflections: 0.3727
• Weighted residual factors for all reflections included in the refinement: 0.3947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No