Information card for entry 4319528

Structure parameters

• Formula: C60 H64 F12 Ni O8 P6
• Calculated formula: C60 H64 F12 Ni O8 P6
• Title of publication: Autoionization of Homogeneous Nickel(II) Diphosphane Hydrogenation Catalysts. An NMR Study and Crystal Structures of [Ni(o-MeO-dppe)I2] and [Ni(o-MeO-dppe)2](PF6)2
• Authors of publication: Ingrid M. Angulo; Elisabeth Bouwman; Martin Lutz; Wilhelmus P. Mul; Anthony L. Spek
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2073 - 2082
• a: 22.5326 ± 0.0003 Å
• b: 13.6794 ± 0.0002 Å
• c: 21.7134 ± 0.0003 Å
• α: 90°
• β: 107.174 ± 0.0007°
• γ: 90°
• Cell volume: 6394.34 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No