Information card for entry 1544368

Structure parameters

• Common name: CoHO-TMPAClCl? CoTMPAClCl
• Chemical name: CoBr-TMPACl2
• Formula: C18 H17 Br Cl2 Co N4
• Calculated formula: C18 H17 Br Cl2 Co N4
• SMILES: [Co]12(Cl)(Cl)[N](Cc3[n]1cccc3)(Cc1[n]2cccc1)Cc1nc(Br)ccc1
• 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: 14.188 ± 0.007 Å
• b: 6.883 ± 0.003 Å
• c: 21.321 ± 0.011 Å
• α: 90°
• β: 107.131 ± 0.009°
• γ: 90°
• Cell volume: 1989.7 ± 1.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No