Information card for entry 2228982

Structure parameters

• Chemical name: Bis(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)copper(II) dimethyl sulfoxide disolvate
• Formula: C18 H20 Cu N2 O10 S2
• Calculated formula: C18 H20 Cu N2 O10 S2
• SMILES: c12cc(cc[n]2[Cu]2(OC1=O)[n]1c(cc(cc1)C(=O)O)C(=O)O2)C(=O)O.S(=O)(C)C.CS(C)=O
• Title of publication: Bis(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)copper(II) dimethyl sulfoxide disolvate
• Authors of publication: Aghabozorg, Hossein; Goodarzi, Saba; Mirzaei, Masoud; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m290
• a: 6.8831 ± 0.0014 Å
• b: 7.5218 ± 0.0015 Å
• c: 11.719 ± 0.002 Å
• α: 102.95 ± 0.03°
• β: 91.86 ± 0.03°
• γ: 111.12 ± 0.03°
• Cell volume: 547.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes