Information card for entry 1544267

Structure parameters

• Chemical name: C6
• Formula: C17 H24 Cl2 Co N4
• Calculated formula: C17 H24 Cl2 Co N4
• 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: 14.2357 ± 0.0014 Å
• b: 8.2893 ± 0.0008 Å
• c: 15.2974 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1805.2 ± 0.3 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 114.99 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No