Information card for entry 4071144

Structure parameters

• Formula: C30 H33 N Ni P2
• Calculated formula: C30 H33 N Ni P2
• SMILES: [NiH]12[P](c3ccccc3)(c3ccccc3)c3ccccc3N2c2ccccc2[P]1(C(C)C)C(C)C
• 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: 17.922 ± 0.0003 Å
• b: 8.081 ± 0.0005 Å
• c: 20.62 ± 0.0007 Å
• α: 90 ± 0.002°
• β: 113.842 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 2731.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No