Information card for entry 2211686

Structure parameters

• Formula: C20 H18 Cu N4 O6
• Calculated formula: C20 H18 Cu N4 O6
• SMILES: C(=O)(c1cccc(c1)O)O[Cu]([n]1cc[nH]c1)([n]1cc[nH]c1)OC(=O)c1cc(ccc1)O
• Title of publication: Bis(3-hydroxybenzoato-<i>{κ</i>O})bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)
• Authors of publication: Liu, Ji-Wei; Zhu, Bin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3514 - m3515
• a: 9.299 ± 0.001 Å
• b: 13.333 ± 0.001 Å
• c: 8.078 ± 0.001 Å
• α: 90°
• β: 92.196 ± 0.001°
• γ: 90°
• Cell volume: 1000.8 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes