Information card for entry 4088843

Structure parameters

• Formula: C35 H68 B2 Cl2 F8 N2 Ni P4
• Calculated formula: C35 H68 B2 Cl2 F8 N2 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: 10.0172 ± 0.0003 Å
• b: 13.846 ± 0.0004 Å
• c: 15.3156 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2124.25 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 2 21
• Hall space group symbol: P 2ac 2ac
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No