Information card for entry 2234191

Structure parameters

• Chemical name: Dichloridotetrakis(1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)
• Formula: C8 H12 Cl2 Cu N12
• Calculated formula: C8 H12 Cl2 Cu N12
• SMILES: Cl[Cu]([n]1c[nH]nc1)([n]1c[nH]nc1)([n]1c[nH]nc1)([n]1c[nH]nc1)Cl
• Title of publication: Dichloridotetrakis(1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)
• Authors of publication: Vidmar, Maja; Kobal, Tatjana; Kozlevčar, Bojan; Šegedin, Primož; Golobič, Amalija
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m375 - m376
• a: 14.4471 ± 0.0003 Å
• b: 14.4471 ± 0.0003 Å
• c: 15.8181 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3301.53 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes