Information card for entry 7202192

Structure parameters

• Common name: Dihydroxo Tetracopper(ii) Triflate Complex with 1,4-bi(1,2,4- triazol-4-yl)benzene, Dodecahydrate
• Chemical name: Dihydroxo Tetracopper(II) Triflate Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate
• Formula: C56 H66 Cu4 F18 N30 O32 S6
• Calculated formula: C56 H50 Cu4 F18 N30 O32 S6
• 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: 13.3427 ± 0.0011 Å
• b: 13.4047 ± 0.0012 Å
• c: 13.562 ± 0.0012 Å
• α: 102.339 ± 0.002°
• β: 104.369 ± 0.001°
• γ: 90.477 ± 0.001°
• Cell volume: 2290.6 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No