Information card for entry 4088842

Structure parameters

• Chemical name: [Ni(8P2N)(dppe)](BF4)2
• Formula: C57 H69 B2 Cl2 F8 N Ni P4
• Calculated formula: C57 H69 B2 Cl2 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: 13.1394 ± 0.0006 Å
• b: 19.3197 ± 0.001 Å
• c: 22.4236 ± 0.0012 Å
• α: 89.347 ± 0.002°
• β: 81.996 ± 0.002°
• γ: 88.173 ± 0.002°
• Cell volume: 5633.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No