Information card for entry 4106283

Structure parameters

• Common name: [(CF3PY5Me2)Co(OH2)](OTf)2
• Formula: C35 H36 Co F9 N5 O10 S2
• Calculated formula: C35 H36 Co F9 N5 O10 S2
• Title of publication: Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water
• Authors of publication: Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 9212 - 9215
• a: 10.4204 ± 0.0004 Å
• b: 22.6271 ± 0.0008 Å
• c: 16.3644 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3858.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No