Information card for entry 7000697

Structure parameters

• Chemical name: catena-[(μ4-benzene-1,4-dicarboxylato-κO:κO,O':κO'':κO'',O''')- bis(μ4-1,2-bis(1,2,4-triazol-4-yl)ethane-κN:κN1':κN2':κN2')- dicadmium(II) dinitrate hydrate]
• Formula: C10 H10 Cd N7 O5.5
• Calculated formula: C10 H10 Cd N7 O5.5
• Title of publication: Crystal structures and solid-state CPMAS 13C NMR correlations in luminescent zinc(II) and cadmium(II) mixed-ligand coordination polymers constructed from 1,2-bis(1,2,4-triazol-4-yl)ethane and benzenedicarboxylate
• Authors of publication: Habib, Hesham A.; Hoffmann, Anke; Höppe, Henning A.; Janiak, Christoph
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 10
• Pages of publication: 1742 - 1751
• a: 22.9206 ± 0.0008 Å
• b: 7.7047 ± 0.0002 Å
• c: 19.3208 ± 0.0007 Å
• α: 90°
• β: 114.596 ± 0.003°
• γ: 90°
• Cell volume: 3102.4 ± 0.19 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No