Information card for entry 2215134

Structure parameters

• Chemical name: Aqua(2,2'-biimidazole)(pyridine-2,6-dicarboxylato)copper(II) monohydrate
• Formula: C13 H13 Cu N5 O6
• Calculated formula: C13 H13 Cu N5 O6
• SMILES: [Cu]123([n]4c(cccc4C(=O)O3)C(=O)O2)([n]2cc[nH]c2c2[n]1cc[nH]2)[OH2].O
• Title of publication: Aqua(2,2'-biimidazole)(pyridine-2,6-dicarboxylato)copper(II) monohydrate
• Authors of publication: Minna Cao; Min Wang; Feihua Luo; Cuixia Cheng; Zongqiu Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2372 - m2372
• a: 6.5951 ± 0.0004 Å
• b: 10.6971 ± 0.0007 Å
• c: 11.6112 ± 0.0007 Å
• α: 97.21 ± 0.001°
• β: 94.384 ± 0.001°
• γ: 106.411 ± 0.001°
• Cell volume: 774.16 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes