Information card for entry 7000696

Structure parameters

• Chemical name: catena-[(μ2-benzene-1,4-dicarboxylato-κ2O,O':κ2O'',O''')- (μ2-benzene-1,4-dicarboxylato-κO:κO'')- (μ4-1,2-bis(1,2,4-triazol-4-yl)ethane-κN1:κN1':κN2':κN2')-dizinc(II)]
• Formula: C11 H8 N3 O4 Zn
• Calculated formula: C11 H8 N3 O4 Zn
• 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: 12.4552 ± 0.001 Å
• b: 15.1581 ± 0.001 Å
• c: 13.274 ± 0.002 Å
• α: 90°
• β: 117.432 ± 0.01°
• γ: 90°
• Cell volume: 2224.3 ± 0.5 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: 0.0376
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No