Information card for entry 7053980

Structure parameters

• Common name: {[Cu2(1-tza)4].Br.H3O.1/3H2O}
• Chemical name: [Cu2(1-tza)4]BrH3O1/3H2O
• Formula: C12 H15.67 Br Cu2 N16 O9.33
• Calculated formula: C12 H12 Br Cu2 N16 O9.33333
• 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: 16.5929 ± 0.0016 Å
• b: 16.5929 ± 0.0016 Å
• c: 33.137 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7901.1 ± 1.6 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: 0.0631
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No