Information card for entry 2205517

Structure parameters

• Chemical name: Bis(1H-imidazole-κN^3^)bis(3-methylbenzoato-κO)copper(II)
• Formula: C22 H22 Cu N4 O4
• Calculated formula: C22 H22 Cu N4 O4
• SMILES: C(=O)(c1cc(ccc1)C)O[Cu]([n]1c[nH]cc1)([n]1c[nH]cc1)OC(=O)c1cc(ccc1)C
• Title of publication: Bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(3-methylbenzoato-κ<i>O</i>)copper(II)
• Authors of publication: Tu-Gen Xu; Jia-Geng Liu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m622 - m624
• a: 8.863 ± 0.0016 Å
• b: 10.3923 ± 0.0015 Å
• c: 12.1022 ± 0.0016 Å
• α: 90°
• β: 100.466 ± 0.002°
• γ: 90°
• Cell volume: 1096.2 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes