Information card for entry 1544270

Structure parameters

• Common name: [Co(DMPDP)Cl2]
• Formula: C22 H32 Cl2 Co N4 O
• Calculated formula: C22 H32 Cl2 Co N4 O
• SMILES: [Co]123(Cl)(Cl)[N]4(CCC[C@@H]4[C@@H]4[N]2(CCC4)Cc2[n]3c(ccc2)C)Cc2[n]1c(ccc2)C.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: 11.2962 ± 0.0006 Å
• b: 13.9276 ± 0.0008 Å
• c: 14.5394 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2287.5 ± 0.2 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No