Information card for entry 4327574

Structure parameters

• Chemical name: Dichloro(methoxydiphenylphosphine)(2-pyridylmethyldiphenylphosphine)nickel(II)
• Formula: C31 H29 Cl2 N Ni O P2
• Calculated formula: C31 H29 Cl2 N Ni O P2
• SMILES: [Ni]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)Cc2[n]1cccc2)[P](OC)(c1ccccc1)c1ccccc1
• Title of publication: Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane
• Authors of publication: Joel T. Mague; Jamin L. Krinsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1962 - 1971
• a: 14.9925 ± 0.0014 Å
• b: 11.4067 ± 0.0012 Å
• c: 17.417 ± 0.002 Å
• α: 90°
• β: 105.39 ± 0.009°
• γ: 90°
• Cell volume: 2871.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.104
• 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