Information card for entry 7202189

Structure parameters

• Common name: Copper(ii) Nitrate 2:5 Complex with 1,4-bi(1,2,4-triazol-4- yl)benzene, Dihydrate
• Chemical name: Copper(II) Nitrate 2:5 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene, Dihydrate
• Formula: C50 H44 Cu2 N34 O14
• Calculated formula: C50 H40 Cu2 N34 O14
• 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: 24.66 ± 0.0018 Å
• b: 15.8459 ± 0.0008 Å
• c: 7.7808 ± 0.0005 Å
• α: 90°
• β: 95.485 ± 0.008°
• γ: 90°
• Cell volume: 3026.5 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.0952
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No