Information card for entry 2206824

Structure parameters

• Chemical name: Hexakis(μ~2~-4-amino-4H-1,2,4-triazole)hexachlorotricadmium(II)
• Formula: C12 H24 Cd3 Cl6 N24
• Calculated formula: C12 H24 Cd3 Cl6 N24
• SMILES: [Cd]12([n]3cn(c[n]3[Cd]34([n]5cn(c[n]15)N)([n]1cn(c[n]21)N)[n]1cn(c[n]1[Cd]([n]1cn(c[n]31)N)([n]1cn(c[n]41)N)(Cl)(Cl)Cl)N)N)(Cl)(Cl)Cl
• Title of publication: Hexakis(μ~2~-4-amino-4<i>H</i>-1,2,4-triazole)hexachlorotricadmium(II)
• Authors of publication: Xuan-Wen, Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1777 - m1778
• a: 13.032 ± 0.004 Å
• b: 13.032 ± 0.004 Å
• c: 17.558 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2582.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes