Information card for entry 2203434

Structure parameters

• Chemical name: trans-Bis(3-amino-1,2,4-triazolium-κN^1^)dichlorocopper(II) tetrachlorocuprate(II) dihydrate
• Formula: C4 H14 Cl6 Cu2 N8 O2
• Calculated formula: C4 H14 Cl6 Cu2 N8 O2
• SMILES: c1[n]([nH]c(N)[nH+]1)[Cu](Cl)([n]1c[nH+]c([nH]1)N)Cl.Cl[Cu](Cl)([Cl-])[Cl-].O.O
• Title of publication: trans-Bis(3-amino-1,2,4-triazolium-κN^1^)dichlorocopper(II) tetrachlorocuprate(II) dihydrate
• Authors of publication: Carlos Sánchez; Juan M. Salas; Miguel Quirós; M. Purificación Sánchez
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m370 - m372
• a: 6.1505 ± 0.0006 Å
• b: 7.6367 ± 0.0008 Å
• c: 9.7197 ± 0.001 Å
• α: 95.0132 ± 0.0015°
• β: 99.9045 ± 0.0015°
• γ: 110.281 ± 0.0014°
• Cell volume: 416.47 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0184
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No