Information card for entry 7131193

Structure parameters

• Chemical name: Zr-TCPCo
• Formula: C80 H68 Cl2 Co2 N8 O52.67 Zr8
• Calculated formula: C80 H68 Cl2 Co2 N8 O52.6667 Zr8
• Title of publication: Building a cobaloxime-based metal-organic framework for photocatalytic aerobic oxidation of arylboronic acids to phenols.
• Authors of publication: Xiao, Yonghong; Zhu, Can-Ming; Liang, Rong-Bin; Huang, Yong-Liang; Hai, Chun-Hua; Chen, Jian-Rui; Li, Mian; Zhong, Jian-Ji; Huang, Xiao-Chun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 16
• Pages of publication: 2239 - 2242
• a: 35.2672 ± 0.0002 Å
• b: 35.2672 ± 0.0002 Å
• c: 35.2672 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 43864.5 ± 0.4 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.2155
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No