Information card for entry 1544269

Structure parameters

• Chemical name: C8
• Formula: C12 H34 Cl2 Co N4 O2
• Calculated formula: C12 H34 Cl2 Co N4 O2
• SMILES: [Co]123(Cl)[N](CC[N]2(C)C)(CC[N]1(C)C)CC[N]3(C)C.[Cl-].O.O
• Title of publication: The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations
• Authors of publication: Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 7408
• a: 9.0263 ± 0.0011 Å
• b: 9.19 ± 0.0011 Å
• c: 13.2981 ± 0.0016 Å
• α: 83.343 ± 0.003°
• β: 81.332 ± 0.003°
• γ: 61.722 ± 0.003°
• Cell volume: 959.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No