Information card for entry 2243796

Structure parameters

• Chemical name: Chloridotetrakis(imidazole)copper(II) chloride
• Formula: C12 H16 Cl2 Cu N8
• Calculated formula: C12 H16 Cl2 Cu N8
• SMILES: [Cu]([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)Cl.[Cl-]
• Title of publication: Chloridotetrakis(imidazole)copper(II) chloride. Corrigendum
• Authors of publication: Li, Ting Bin; Hu, Ya Li; Li, Ji Kun; He, Guo Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 450 - 451
• a: 8.8662 ± 0.0003 Å
• b: 13.3199 ± 0.0004 Å
• c: 13.919 ± 0.0004 Å
• α: 90°
• β: 90.042 ± 0.001°
• γ: 90°
• Cell volume: 1643.79 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes