Information card for entry 4071143

Structure parameters

• Formula: C36 H53 N Ni P2
• Calculated formula: C36 H53 N Ni P2
• SMILES: [NiH]12[P](C3CCCCC3)(C3CCCCC3)c3ccccc3N2c2ccccc2[P]1(C1CCCCC1)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: 14.247 ± 0.0004 Å
• b: 16.2118 ± 0.0004 Å
• c: 18.4856 ± 0.0006 Å
• α: 104.536 ± 0.001°
• β: 99.274 ± 0.001°
• γ: 106.409 ± 0.002°
• Cell volume: 3838.8 ± 0.2 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: 0.1305
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.2467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No