Information card for entry 7200325

Structure parameters

• Formula: C66 H78 Cd2 N28 O18
• Calculated formula: C66 H66 Cd2 N28.02 O18.06
• Title of publication: Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property
• Authors of publication: Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 261
• a: 21.5594 ± 0.0012 Å
• b: 21.5594 ± 0.0012 Å
• c: 14.9195 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6005.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2287
• 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: No
• Has Fobs: No