Information card for entry 7122350

Structure parameters

• Formula: C52 H71 Cl3 Co N9 O14
• Calculated formula: C52.138 H72 Cl3 Co N9 O14.138
• Title of publication: Highly efficient and selective visible-light driven CO₂-to-CO conversion by a Co-based cryptate in H₂O/CH₃CN solution.
• Authors of publication: Liu, Dong-Cheng; Wang, Hong-Juan; Wang, Jia-Wei; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 80
• Pages of publication: 11308 - 11311
• a: 9.8881 ± 0.0005 Å
• b: 15.6504 ± 0.0009 Å
• c: 20.0289 ± 0.0011 Å
• α: 69.061 ± 0.005°
• β: 85.977 ± 0.005°
• γ: 75.978 ± 0.005°
• Cell volume: 2808.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0987
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No