Information card for entry 7202195

Structure parameters

• Common name: Tris(5-(4-(1,2,4-triazol-4-yl)phenyl)tetrazolato) dicopper(ii) Chloride, Dodecahydrate
• Chemical name: Tris[5-(4-(1,2,4-triazol-4-yl)phenyl)tetrazolato] dicopper(II) Chloride, Dodecahydrate
• Formula: C27 H42 Cl Cu2 N21 O12
• Calculated formula: C28 H18 Cl Cu2 N20 O5
• 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: 25.822 ± 0.002 Å
• b: 7.7119 ± 0.0007 Å
• c: 25.1892 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5016.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No