Information card for entry 4508990

Structure parameters

• Chemical name: [CuCl2(XG4)]
• Formula: C18 H18 Cl2 Cu N6
• Calculated formula: C18 H18 Cl2 Cu N6
• Title of publication: Coordination Polymers with Varied Metal Centers and Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)benzene: Synthesis, Structure, and Reversible Anion Exchange Property
• Authors of publication: Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Bai, Zheng-Shuai; Hua, Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 395
• a: 8.808 ± 0.002 Å
• b: 9.541 ± 0.003 Å
• c: 23.753 ± 0.008 Å
• α: 90°
• β: 101.34 ± 0.013°
• γ: 90°
• Cell volume: 1957.2 ± 1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0316
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No