Information card for entry 7130066

Structure parameters

• Formula: C210 H150 Cu12 N30 O84
• Calculated formula: C210 H150 Cu12 N30 O84
• Title of publication: A [(M2)6L8] metal–organic polyhedron with high CO2 uptake and efficient chemical conversion of CO2 under ambient conditions
• Authors of publication: Liu, Li-Hua; Liu, Lin; Chi, Hao-Ran; Li, Chen-Ning; Han, Zheng-Bo
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 21.671 ± 0.006 Å
• b: 21.671 ± 0.006 Å
• c: 40.013 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16274 ± 8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.1986
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No