Information card for entry 7202191

Structure parameters

• Common name: Copper(ii) Bromide 1:2 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dodecahydrate
• Chemical name: Copper(II) Bromide 1:2 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate
• Formula: C20 H40 Br2 Cu N12 O12
• Calculated formula: C20 H16 Br2 Cu N12 O3
• Title of publication: New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges
• Authors of publication: Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1216
• a: 28.449 ± 0.003 Å
• b: 15.7732 ± 0.0017 Å
• c: 7.2593 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3257.5 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No