Information card for entry 4063917

Structure parameters

• Formula: C85 H115 Ni2 O16 P4
• Calculated formula: C42.5 H57.5 Ni O8 P2
• Title of publication: Cage Phosphinites: Ligands for Efficient Nickel-Catalyzed Hydrocyanation of 3-Pentenenitrile
• Authors of publication: Mikhel, Igor S.; Garland, Michael; Hopewell, Jonathan; Mastroianni, Sergio; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 974
• a: 11.489 ± 0.004 Å
• b: 11.686 ± 0.003 Å
• c: 17.003 ± 0.008 Å
• α: 93.92 ± 0.02°
• β: 103.44 ± 0.03°
• γ: 114.257 ± 0.017°
• Cell volume: 1989.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2156
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No