Information card for entry 7109836

Structure parameters

• Formula: C30 H31 B2 Co F8 N6
• Calculated formula: C30 H31 B2 Co F8 N6
• SMILES: [Co]1234([N](CCC[N]4(Cc4[n]3cccc4)Cc3[n]1cccc3)(Cc1ccccc1)Cc1[n]2cccc1)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Electrocatalytic hydrogen evolution from neutral water by molecular cobalt tripyridine-diamine complexes
• Authors of publication: Peili Zhang; Mei Wang; Frederic Gloaguen; Lin Chen; Francois Quentel; Licheng Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9455
• a: 11.183 ± 0.003 Å
• b: 23.646 ± 0.007 Å
• c: 13.366 ± 0.004 Å
• α: 90°
• β: 114.089 ± 0.004°
• γ: 90°
• Cell volume: 3226.6 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No