Information card for entry 4106284

Structure parameters

• Common name: [(NMe2PY5Me2)Co(OTf)]OTf
• Formula: C41.25 H49 Co F6 N6 O9.5 S2
• Calculated formula: C41.254 H49.016 Co F6 N6 O8.5 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: 21.8445 ± 0.0015 Å
• b: 15.8758 ± 0.0011 Å
• c: 13.9791 ± 0.001 Å
• α: 90°
• β: 95.097 ± 0.001°
• γ: 90°
• Cell volume: 4828.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No