Information card for entry 2234507

Structure parameters

• Chemical name: Bis[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl 2,2-dimethylpropanoato-κ<i>N</i>^3^]dichloridocopper(II)
• Formula: C24 H30 Cl2 Cu N6 O4
• Calculated formula: C24 H30 Cl2 Cu N6 O4
• SMILES: c12ccccc1n(COC(=O)C(C)(C)C)n[n]2[Cu]([n]1c2ccccc2n(COC(=O)C(C)(C)C)n1)(Cl)Cl
• Title of publication: Bis[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl 2,2-dimethylpropanoato-κ<i>N</i>^3^]dichloridocopper(II)
• Authors of publication: Cao, Gang; Guo, Ting; Xu, Sen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m607
• a: 10.1929 ± 0.0019 Å
• b: 14.576 ± 0.002 Å
• c: 9.2565 ± 0.0015 Å
• α: 90°
• β: 96.499 ± 0.014°
• γ: 90°
• Cell volume: 1366.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes