Information card for entry 7131541

Structure parameters

• Chemical name: Cu@Co24
• Formula: C334.5 H337 Cl82.5 Co24 Cu2.5 N8 Na O84.5 S24
• Calculated formula: C304.001 H280.001 Cl6 Co24 Cu2.5 N7.9992 Na O75.5 S24
• Title of publication: Post-synthetic atomically precise single-Cu^II sites in a thiacalix[4]arene-supported octahedral Na@Co₂₄ cluster: the Cu-Co synergistic effect for selective photocatalytic conversion of CO₂ to CO.
• Authors of publication: Guo, Yinjuan; Li, Jiahui; Zhao, Guiyan; Chen, Baokuan; Hang, Xinxin; Bi, Yanfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 37
• Pages of publication: 5591 - 5594
• a: 25.981 ± 0.003 Å
• b: 25.981 ± 0.003 Å
• c: 43.544 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29393 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2482
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No