Information card for entry 4068059

Structure parameters

• Formula: C41 H46 N Ni O P2
• Calculated formula: C41 H46 N Ni O P2
• SMILES: C(C)([P]1(C(C)C)c2ccccc2N2c3ccccc3[P](c3ccccc3)(c3ccccc3)[Ni]12C(=O)[C@H]1C[C@H]2C[C@@H]1CC2)C.c1ccccc1.C(C)(C)[P]1(C(C)C)c2ccccc2N2c3ccccc3[P](c3ccccc3)(c3ccccc3)[Ni]12C(=O)[C@@H]1C[C@@H]2C[C@H]1CC2
• 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: 10.4401 ± 0.0003 Å
• b: 11.1317 ± 0.0003 Å
• c: 16.0117 ± 0.0005 Å
• α: 92.613 ± 0.001°
• β: 96.759 ± 0.001°
• γ: 105.773 ± 0.002°
• Cell volume: 1772.43 ± 0.09 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: 0.0806
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No