Information card for entry 2217376

Structure parameters

• Chemical name: Bis(pyrimidine-2-carboxylato-κ^2^N,O)copper(II)
• Formula: C10 H6 Cu N4 O4
• Calculated formula: C10 H6 Cu N4 O4
• SMILES: c1ccnc2C(=O)O[Cu]3([n]12)[n]1cccnc1C(=O)O3
• Title of publication: Bis(pyrimidine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)copper(II)
• Authors of publication: Bing-Yu Zhang; Qian Yang; Jing-Jing Nie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m7 - m7
• a: 5.1408 ± 0.0008 Å
• b: 13.2624 ± 0.0012 Å
• c: 7.6735 ± 0.0011 Å
• α: 90°
• β: 94.025 ± 0.015°
• γ: 90°
• Cell volume: 521.88 ± 0.12 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes