Information card for entry 7202194

Structure parameters

• Common name: Copper(ii) Sulfate Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Hexahydrate
• Chemical name: Copper(II) Sulfate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Hexahydrate
• Formula: C10 H20 Cu N6 O10 S
• Calculated formula: C10 H8 Cu N6 O10 S
• 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: 7.1442 ± 0.0004 Å
• b: 19.4387 ± 0.0015 Å
• c: 17.3114 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2404.1 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No