Information card for entry 2200541

Structure parameters

• Formula: C14 H12 Cu N2 O10
• Calculated formula: C14 H12 Cu N2 O10
• SMILES: [Cu]12([n]3c(C(=O)O1)cc(cc3)C(=O)O)([n]1c(C(=O)O2)cc(cc1)C(=O)O)[OH2].O
• Title of publication: Bis(pyridine-2,4-dicarboxylato)copper(II) dihydrate
• Authors of publication: Liang, Yucang; Hong, Maochun; Cao, Rong; Shi, Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: m380 - m381
• a: 7.212 ± 0.003 Å
• b: 10.139 ± 0.003 Å
• c: 11.337 ± 0.005 Å
• α: 73.67 ± 0.03°
• β: 82.67 ± 0.03°
• γ: 85.04 ± 0.03°
• Cell volume: 787.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes