Information card for entry 7203788

Structure parameters

• Formula: C18 H14 Cd N2 O5
• Calculated formula: C18 H12 Cd N2 O5
• Title of publication: 1,2-, 1,3- and 1,4-Benzenedicarboxylates of Cd and Zn of different dimensionalities: Process of formation of the three-dimensional structure
• Authors of publication: Thirumurugan, A.; Rao, C. N. R.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 35-36
• Pages of publication: 3852
• a: 9.8105 ± 0.0002 Å
• b: 9.9054 ± 0.0002 Å
• c: 17.7854 ± 0.0002 Å
• α: 90°
• β: 101.771 ± 0.001°
• γ: 90°
• Cell volume: 1691.99 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No