Information card for entry 4068056

Structure parameters

• Formula: C34 H39 N Ni O1.5 P2
• Calculated formula: C34 H39 N Ni O1.5 P2
• SMILES: O1CCCC1.C(C)(C)[P]1(C(C)C)c2ccccc2N2c3ccccc3[P](c3ccccc3)(c3ccccc3)[Ni]12C(=O)C
• 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: 9.344 ± 0.0006 Å
• b: 30.669 ± 0.0019 Å
• c: 43.427 ± 0.0019 Å
• α: 90°
• β: 90 ± 0.003°
• γ: 90°
• Cell volume: 12444.9 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for all reflections: 0.214
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No