Information card for entry 1514144

Structure parameters

• Common name: [Co(bpy(PYCF3)2)(MeCN)(OTf)](OTf)
• Formula: C33 H26.5 Co F12 N7.5 O6 S2
• Calculated formula: C33 H26.5 Co F12 N7.5 O6 S2
• Title of publication: Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts
• Authors of publication: Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.
• Journal of publication: Energy & Environmental Science
• Year of publication: 2014
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 1477
• a: 16.288 ± 0.003 Å
• b: 16.463 ± 0.003 Å
• c: 17.02 ± 0.003 Å
• α: 62.683 ± 0.002°
• β: 83.145 ± 0.002°
• γ: 83.634 ± 0.002°
• Cell volume: 4017.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1652
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No