Information card for entry 7706369

Structure parameters

• Formula: C22 H20 Cl2 Co N4
• Calculated formula: C22 H20 Cl2 Co N4
• SMILES: [Co]123([n]4ccccc4C[N]3(Cc3[n]2cc2c(c3)cccc2)Cc2[n]1cccc2)(Cl)Cl
• Title of publication: Polypyridyl Co complex-based water reduction catalysts: why replace a pyridine group with isoquinoline rather than quinoline?
• Authors of publication: Guo, Xusheng; Li, Chao; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong; Zhou, Qianxiong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 2042 - 2049
• a: 17.0415 ± 0.0016 Å
• b: 8.9433 ± 0.0009 Å
• c: 16.9729 ± 0.0019 Å
• α: 90°
• β: 90.314 ± 0.004°
• γ: 90°
• Cell volume: 2586.8 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No