Information card for entry 2226285

Structure parameters

• Chemical name: Tetraimidazolebis(trichloroacetato)copper(II)
• Formula: C16 H16 Cl6 Cu N8 O4
• Calculated formula: C16 H16 Cl6 Cu N8 O4
• SMILES: [Cu]([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)(OC(=O)C(Cl)(Cl)Cl)([n]1c[nH]cc1)OC(=O)C(Cl)(Cl)Cl
• Title of publication: Tetraimidazolebis(trichloroacetato)copper(II)
• Authors of publication: Li, Li-Min; Guo, Huan-Mei; Jian, Fang-Fang; Zhang, Zeng-Hui; Zhang, Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m682
• a: 10.054 ± 0.002 Å
• b: 10.539 ± 0.002 Å
• c: 12.959 ± 0.003 Å
• α: 108.12 ± 0.03°
• β: 92.93 ± 0.03°
• γ: 95.18 ± 0.03°
• Cell volume: 1295.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes