Information card for entry 7202193

Structure parameters

• Common name: Dihydroxo Tricopper(ii) Sulfate Complex with 1,4-bi(1,2,4- triazol-4-yl)benzene, Dihydrate
• Chemical name: Dihydroxo Tricopper(II) Sulfate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dihydrate
• Formula: C10 H14 Cu3 N6 O12 S2
• Calculated formula: C10 H14 Cu3 N6 O12 S2
• 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: 5.1275 ± 0.0004 Å
• b: 16.3726 ± 0.0011 Å
• c: 10.8005 ± 0.0009 Å
• α: 90°
• β: 99.531 ± 0.01°
• γ: 90°
• Cell volume: 894.19 ± 0.12 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No