Information card for entry 7109661

Structure parameters

• Formula: C64.4 H75 B2 F8 N5 Ni O5.6 P4
• Calculated formula: C58 H59 B2 F8 N5 Ni O4 P4
• Title of publication: Production of H2 at fast rates using a nickel electrocatalyst in water-acetonitrile solutions
• Authors of publication: Wesley A. Hoffert; John A. S. Roberts; R. Morris Bullock; Monte L. Helm
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7767
• a: 15.1339 ± 0.0014 Å
• b: 23.3855 ± 0.0014 Å
• c: 20.0338 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7090.2 ± 0.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 8
• Space group number: 21
• Hermann-Mauguin space group symbol: C 2 2 2
• Hall space group symbol: C 2 2
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No