Information card for entry 4109276

Structure parameters

• Formula: C30 H30 Cl2 Ni P2
• Calculated formula: C30 H30 Cl2 Ni P2
• SMILES: CC(C)(C1=C[P]([Ni]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1)C
• Title of publication: Copper-Catalyzed anti-Hydrophosphination Reaction of 1-Alkynylphosphines with Diphenylphosphine Providing (Z)-1,2-Diphosphino-1-alkenes
• Authors of publication: Azusa Kondoh; Hideki Yorimitsu; Koichiro Oshima
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 4099 - 4104
• a: 11.6193 ± 0.0007 Å
• b: 15.4796 ± 0.0009 Å
• c: 16.0015 ± 0.0009 Å
• α: 90°
• β: 103.608 ± 0.001°
• γ: 90°
• Cell volume: 2797.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.682
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No