Information card for entry 7115933

Structure parameters

• Formula: C25 H21 B2 F8 N6 Ni
• Calculated formula: C25 H21 B2 F8.33333 N6 Ni
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1cc[n]2c(c1)C[N]13C4c5[n](cccc5)[Ni]23([n]2ccccc42)([n]2ccccc2C1)[N]#CC
• Title of publication: Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water
• Authors of publication: Peili Zhang; Mei Wang; Yong Yang; Dehua Zheng; Kai Han; Licheng Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14153
• a: 18.058 ± 0.004 Å
• b: 18.058 ± 0.004 Å
• c: 14.612 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4126.5 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No