Information card for entry 7226037

Structure parameters

• Formula: C63 H89 Cd3 N3 O44
• Calculated formula: C54 H30 Cd3 O22
• Title of publication: Four metal‒organic frameworks based on a semirigid tripodal ligand and different secondary building units: structures and electrochemical performance
• Authors of publication: Lin, Xiao-Ming; Niu, Ji-Liang; Chen, Dan-Ni; Lu, Yan-Na; Zhang, Gang; Cai, Yue-Peng
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 36
• Pages of publication: 6841
• a: 16.7644 ± 0.0003 Å
• b: 17.8611 ± 0.0002 Å
• c: 16.4068 ± 0.0002 Å
• α: 90°
• β: 113.298 ± 0.002°
• γ: 90°
• Cell volume: 4512.12 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No