Information card for entry 2021707

Structure parameters

• Chemical name: Poly[(μ~3~-1-amino-5-carboxybenzene-3,4-dicarboxylato)diaquacadmium(II)]
• Formula: C9 H9 Cd N O8
• Calculated formula: C9 H9 Cd N O8
• Title of publication: Two new Cd^II^ and Zn^II^ coordination polymers incorporating 1-aminobenzene-3,4,5-tricarboxylic acid: synthesis, crystal structure and characterization
• Authors of publication: Shao, Zhi-Chao; Meng, Xiang-Ru; Hou, Hong-Wei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• a: 7.0872 ± 0.0007 Å
• b: 8.4024 ± 0.0009 Å
• c: 17.4973 ± 0.0017 Å
• α: 90°
• β: 93.608 ± 0.003°
• γ: 90°
• Cell volume: 1039.89 ± 0.18 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: 0.0185
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes