Information card for entry 7208499

Structure parameters

• Formula: C40 H40 Cd2 N4 O9
• Calculated formula: C40 H40 Cd2 N4 O9
• Title of publication: Porous metal‒organic framework based on a macrocyclic tetracarboxylate ligand exhibiting selective CO2 uptake
• Authors of publication: Gao, Wen-Yang; Niu, Youhong; Chen, Yao; Wojtas, Lukasz; Cai, Jianfeng; Chen, Yu-Sheng; Ma, Shengqian
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 6115
• a: 17.8372 ± 0.0019 Å
• b: 21.164 ± 0.002 Å
• c: 21.721 ± 0.002 Å
• α: 90°
• β: 90.3 ± 0.002°
• γ: 90°
• Cell volume: 8199.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No