Information card for entry 7120967

Structure parameters

• Formula: C100 H52 Cu5 N4 O20
• Calculated formula: C100 H52 Cu5 N4 O20
• Title of publication: A metal-metalloporphyrin framework based on an octatopic porphyrin ligand for chemical fixation of CO₂ with aziridines.
• Authors of publication: Wang, Xun; Gao, Wen-Yang; Niu, Zheng; Wojtas, Lukasz; Perman, Jason A.; Chen, Yu-Sheng; Li, Zhong; Aguila, Briana; Ma, Shengqian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1170 - 1173
• a: 26.294 ± 0.004 Å
• b: 34.046 ± 0.006 Å
• c: 34.098 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30525 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No