Information card for entry 2242308

Structure parameters

• Chemical name: Poly[bis(4-amino-4<i>H</i>-1,2,4-triazolium) [bis(μ~2~-4-amino-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^:<i>N</i>^2^)tetra-μ~2~-chlorido-tetrachloridotricadmium(II)] dihydrate]
• Formula: C8 H22 Cd3 Cl8 N16 O2
• Calculated formula: C8 H22 Cd3 Cl8 N16 O2
• Title of publication: A new cadmium coordination polymer based on 4-amino-4<i>H</i>-1,2,4-triazole
• Authors of publication: Said, Maha; Boughzala, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 147 - 150
• a: 12.685 ± 0.003 Å
• b: 15.498 ± 0.003 Å
• c: 7.375 ± 0.002 Å
• α: 90°
• β: 97.12 ± 0.03°
• γ: 90°
• Cell volume: 1438.7 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes