Information card for entry 7053984

Structure parameters

• Common name: [CuCl2(1-Htza)2].H2O
• Formula: C6 H10 Cl2 Cu N8 O5
• Calculated formula: C6 H10 Cl2 Cu N8 O5
• SMILES: [Cu](Cl)(Cl)([n]1nnn(c1)CC(=O)O)[n]1nnn(c1)CC(=O)O.O
• Title of publication: Anion-directed self-assembly of Cu(ii) coordination compounds with tetrazole-1-acetic acid: syntheses in ionic liquids and crystal structures
• Authors of publication: Chen, Jun; Wang, Shuai-Hua; Liu, Zhi-Fa; Wu, Mei-Feng; Xiao, Yu; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 1
• Pages of publication: 269
• a: 26.882 ± 0.016 Å
• b: 6.802 ± 0.003 Å
• c: 7.981 ± 0.007 Å
• α: 90°
• β: 103.38 ± 0.03°
• γ: 90°
• Cell volume: 1419.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No