Information card for entry 1544367

Structure parameters

• Formula: C19 H20.24 Cl2 Co N4 O0.12
• Calculated formula: C19 H20 Cl2 Co N4 O0.122
• SMILES: [Co]123(Cl)(Cl)[N](Cc4[n]1cccc4)(Cc1[n]2cccc1)Cc1[n]3c(ccc1)C.O
• Title of publication: A polypyridyl Co(ii) complex-based water reduction catalyst with double H2 evolution sites
• Authors of publication: Wang, Junfei; Li, Chao; Zhou, Qianxiong; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 8482
• a: 9.044 ± 0.0016 Å
• b: 9.044 ± 0.0016 Å
• c: 40.737 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2885.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No