Information card for entry 7053982

Structure parameters

• Common name: [Cu(Ì2-Cl)(1-tza)(1-Htza)(H2O)].1/2H2O
• Formula: C6 H10 Cl Cu N8 O5.5
• Calculated formula: C6 H9 Cl Cu N8 O5.5
• 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: 6.537 ± 0.002 Å
• b: 9.314 ± 0.003 Å
• c: 11.282 ± 0.004 Å
• α: 108.282 ± 0.003°
• β: 99.043 ± 0.004°
• γ: 98.41 ± 0.002°
• Cell volume: 630 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No