Information card for entry 1553989

Structure parameters

• Formula: C20 H20 B2 Co F8 N6 O2
• Calculated formula: C20 H20 B2 Co F8 N6 O2
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1cccc2[n]1[Co]13([n]4c(cccc4c4[n]1c(Nc1[n]3cccc1)ccc4)N2)([OH2])[OH2]
• Title of publication: A noble metal-free photocatalytic system based on a novel cobalt tetrapyridyl catalyst for hydrogen production in fully aqueous medium
• Authors of publication: Queyriaux, N.; Giannoudis, E.; Windle, C. D.; Roy, S.; Pécaut, J.; Coutsolelos, A. G.; Artero, V.; Chavarot-Kerlidou, M.
• Journal of publication: Sustainable Energy & Fuels
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 553
• a: 11.3282 ± 0.0002 Å
• b: 14.2177 ± 0.0003 Å
• c: 14.6725 ± 0.0003 Å
• α: 90°
• β: 98.096 ± 0.002°
• γ: 90°
• Cell volume: 2339.61 ± 0.08 ų
• Cell temperature: 149.95 ± 0.1 K
• Ambient diffraction temperature: 149.95 ± 0.1 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: 0.0547
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No