Information card for entry 7202045

Structure parameters

• Formula: C36 H36 B2 Cd F8 N12
• Calculated formula: C36 H36 B2 Cd F8 N12
• 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: 9.8988 ± 0.0005 Å
• b: 9.8988 ± 0.0005 Å
• c: 36.629 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3108.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1039
• 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