Information card for entry 2212030

Structure parameters

• Common name: [Cu(2-CO2-3-CO2H-py)].2MeOH
• Chemical name: Poly[[copper(II)-bis(μ-3-carboxypyridine-2-carboxylato- κ^3^N,O^2^:O^3^)copper(II)] methanol disolvate]
• Formula: C16 H16 Cu N2 O10
• Calculated formula: C16 H16 Cu N2 O10
• SMILES: [Cu]123(OC(=O)c4[n]3cccc4C(O)=[O][Cu]34(OC(=O)c5[n]3cccc5C(=O)O)OC(=O)c3[n]4cccc3C(=[O]2)O)OC(=O)c2[n]1cccc2C(=O)O.OC.OC.OC.OC
• Title of publication: <i>catena</i>-Poly[[copper(II)-bis(μ-3-carboxypyridine-2-carboxylato)-κ^3^<i>N</i>,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</i>,<i>O</i>^2^] methanol disolvate]
• Authors of publication: Turner, David R.; Batten, Stuart R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m452 - m454
• a: 6.685 ± 0.0008 Å
• b: 9.7739 ± 0.0012 Å
• c: 13.2657 ± 0.0018 Å
• α: 90°
• β: 93.136 ± 0.007°
• γ: 90°
• Cell volume: 865.46 ± 0.19 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0396
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes