Information card for entry 2224888

Structure parameters

• Chemical name: Dimethylammonium diaqua(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)cuprate(II)
• Formula: C18 H26 Cu N4 O10
• Calculated formula: C18 H26 Cu N4 O10
• SMILES: C[NH2+]C.O1[Cu]2([OH2])([n]3c(C1=O)cc(cc3)C(=O)[O-])([n]1c(C(=O)O2)cc(cc1)C(=O)[O-])[OH2].C[NH2+]C
• Title of publication: Dimethylammonium diaqua(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>^2^)cuprate(II)
• Authors of publication: Wang, Ji-Dong; Han, Shu-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m206 - m207
• a: 7.9854 ± 0.0007 Å
• b: 9.4648 ± 0.0008 Å
• c: 14.938 ± 0.0012 Å
• α: 90°
• β: 103.54 ± 0.001°
• γ: 90°
• Cell volume: 1097.64 ± 0.16 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: 0.0313
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes