Information card for entry 4071147

Structure parameters

• Formula: C43 H49 N Ni P2
• Calculated formula: C43 H49 N Ni P2
• SMILES: [Ni]12([P](C(C)C)(C(C)C)c3ccccc3N2c2ccccc2[P]1(c1ccccc1)c1ccccc1)[C@H]1C[C@H]2C[C@@H]1CC2.c1ccccc1.[Ni]12([P](C(C)C)(C(C)C)c3ccccc3N2c2ccccc2[P]1(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H]2C[C@H]1CC2.c1ccccc1
• Title of publication: Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands
• Authors of publication: Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3082
• a: 11.1581 ± 0.0002 Å
• b: 13.0512 ± 0.0003 Å
• c: 13.3333 ± 0.0003 Å
• α: 78.43 ± 0.001°
• β: 81.972 ± 0.001°
• γ: 83.135 ± 0.001°
• Cell volume: 1875.19 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No