Information card for entry 4304350

Structure parameters

• Formula: C30 H31 Br Cl2 N P
• Calculated formula: C30 H31 Br Cl2 N P
• SMILES: C(Nc1c(C)cccc1C)(C)=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.[Br-]
• Title of publication: Nickel(II) Complexes Containing Bidentate Amido Phosphine Ligands Derived from α-Iminophosphorus Ylides: Synthesis and Structural Characterization
• Authors of publication: Pei-Ying Lee; Lan-Chang Liang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 749 - 758
• a: 21.3127 ± 0.0004 Å
• b: 10.0835 ± 0.0003 Å
• c: 16.268 ± 0.0003 Å
• α: 90°
• β: 122.569 ± 0.002°
• γ: 90°
• Cell volume: 2946.32 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No