Information card for entry 4071141

Structure parameters

• Formula: C30 H33 N P2
• Calculated formula: C30 H33 N P2
• SMILES: P(c1ccccc1)(c1ccccc1)c1ccccc1Nc1ccccc1P(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: 8.4309 ± 0.0003 Å
• b: 12.8265 ± 0.0005 Å
• c: 13.2757 ± 0.0006 Å
• α: 71 ± 0.002°
• β: 74.009 ± 0.002°
• γ: 89.143 ± 0.002°
• Cell volume: 1300.46 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1535
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No