Information card for entry 2206043

Structure parameters

• Chemical name: Methanol(2-methyl-1H-imidazole-κ^3^)(pyridine-2,6-dicarboxylato- κ^3^N,O,O')copper(II)
• Formula: C12 H13 Cu N3 O5
• Calculated formula: C12 H13 Cu N3 O5
• SMILES: c12cccc3C(=O)O[Cu]([n]23)([n]2cc[nH]c2C)(OC1=O)[OH]C
• Title of publication: Methanol(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(pyridine-2,6-dicarboxylato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')copper(II)
• Authors of publication: Liu, San-Hui; Li, Yi-Zhi; Meng, Qing-Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1183 - m1184
• a: 8.5226 ± 0.001 Å
• b: 12.2353 ± 0.0015 Å
• c: 13.2586 ± 0.0016 Å
• α: 90°
• β: 105.095 ± 0.002°
• γ: 90°
• Cell volume: 1334.9 ± 0.3 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: 0.039
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No