Information card for entry 4088844

Structure parameters

• Chemical name: [Ni(8PCy2NH)(dppe)](BF4)2
• Formula: C43 H57 B2 F8 N Ni P4
• Calculated formula: C43 H57 B2 F8 N Ni P4
• Title of publication: Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2
• Authors of publication: Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 17
• Pages of publication: 2965
• a: 17.4219 ± 0.0006 Å
• b: 18.2095 ± 0.0006 Å
• c: 27.6971 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8786.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No