Information card for entry 4071148

Structure parameters

• Formula: C38 H41 N Ni P2
• Calculated formula: C38 H41 N Ni P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2ccccc2N2c3ccccc3[P](C(C)C)(C(C)C)[Ni]12C(C)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: 10.827 ± 0.005 Å
• b: 16.74 ± 0.009 Å
• c: 36.494 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6614 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.3177
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No