Information card for entry 7044649

Structure parameters

• Formula: C36 H38 Co N4 O12 S2
• Calculated formula: C36 H38 Co N4 O12 S2
• SMILES: [Co](OS(=O)(=O)c1ccc(/N=N/c2c3c(ccc2O)cccc3)cc1)(OS(=O)(=O)c1ccc(/N=N/c2c3c(ccc2O)cccc3)cc1)([OH]C)([OH]C)([OH]C)[OH]C
• Title of publication: Electrocatalytic Oxygen Evolution with a Cobalt Complex
• Authors of publication: Shi, Hua-Tian; Li, Xiu-Xiu; Wu, Fang-Hui; Yu, Weibin
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 7.7878 ± 0.0013 Å
• b: 34.714 ± 0.006 Å
• c: 7.1082 ± 0.0011 Å
• α: 90°
• β: 105.722 ± 0.002°
• γ: 90°
• Cell volume: 1849.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No