Information card for entry 4068058

Structure parameters

• Formula: C43 H51 N Ni O P2
• Calculated formula: C43 H51 N Ni O P2
• SMILES: [Ni]12([P](C(C)C)(C(C)C)c3ccccc3N2c2ccccc2[P]1(c1ccccc1)c1ccccc1)C(=O)CCCCCC.c1ccccc1
• 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: 9.7027 ± 0.0003 Å
• b: 12.0266 ± 0.0004 Å
• c: 17.079 ± 0.0007 Å
• α: 100.155 ± 0.002°
• β: 93.943 ± 0.002°
• γ: 94.441 ± 0.002°
• Cell volume: 1948.94 ± 0.12 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: 0.1024
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No