Information card for entry 7202047

Structure parameters

• Common name: (Cd(tib)(OAc)2)-4.5(H2O)
• Chemical name: [Cd(tib)(OAc)2]-4.5(H2O)
• Formula: C22 H33 Cd N6 O8.5
• Calculated formula: C22 H33 Cd N6 O8.5
• Title of publication: Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation
• Authors of publication: Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 1052
• a: 14.294 ± 0.002 Å
• b: 17.334 ± 0.003 Å
• c: 22.245 ± 0.002 Å
• α: 90°
• β: 99.827 ± 0.008°
• γ: 90°
• Cell volume: 5430.8 ± 1.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No