Information card for entry 1514828

Structure parameters

• Common name: ((CF3PY5Me2)Co(NCCH3))(CF3SO3)2
• Formula: C38 H33 Co F9 N8 O6 S2
• Calculated formula: C38 H33 Co F9 N8 O6 S2
• SMILES: [O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.CC#[N][Co]1234[n]5c(cc(cc5C(c5[n]1cccc5)(c1[n]2cccc1)C)C(F)(F)F)C(c1[n]3cccc1)(c1[n]4cccc1)C.CC#N.CC#N
• Title of publication: Photocatalytic generation of hydrogen from water using a cobalt pentapyridine complex in combination with molecular and semiconductor nanowire photosensitizers
• Authors of publication: Sun, Yujie; Sun, Jianwei; Long, Jeffrey R.; Yang, Peidong; Chang, Christopher J.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 118
• a: 23.898 ± 0.003 Å
• b: 15.593 ± 0.002 Å
• c: 23.95 ± 0.003 Å
• α: 90°
• β: 109.468 ± 0.002°
• γ: 90°
• Cell volume: 8414.5 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No