Information card for entry 7115935

Structure parameters

• Formula: C27 H29 B2 F8 N5 Ni O2
• Calculated formula: C27 H33 B2 F8 N5 Ni O2
• SMILES: [Ni]1234([n]5ccccc5C[N]1(CC[N]4(Cc1ccccc1)Cc1[n]2cccc1)Cc1[n]3cccc1)[OH2].O.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 10.5139 ± 0.0012 Å
• b: 14.6832 ± 0.0017 Å
• c: 40.182 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6203.2 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1905
• 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: No
• Has Fobs: No