Information card for entry 7109835

Structure parameters

• Formula: C27 H31 B2 Co F8 N5 O4
• Calculated formula: C27 H31 B2 Co F8 N5 O4
• SMILES: [Co]1234([n]5ccccc5C[N]2(CC[N]3(Cc2ccccc2)Cc2[n]4cccc2)Cc2[n]1cccc2)[OH2].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O.O.O
• 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: 11.4253 ± 0.0005 Å
• b: 23.1813 ± 0.001 Å
• c: 13.1097 ± 0.0006 Å
• α: 90°
• β: 111.606 ± 0.003°
• γ: 90°
• Cell volume: 3228.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1129
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2538
• Weighted residual factors for all reflections included in the refinement: 0.2732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No