Information card for entry 2231657

Structure parameters

• Chemical name: Tetraaqua{1-[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl]-1<i>H</i>- 1,2,4-triazole}sulfatocadmium dihydrate
• Formula: C9 H20 Cd N6 O10 S
• Calculated formula: C9 H20 Cd N6 O10 S
• Title of publication: Tetraaqua{1-[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl]-1<i>H</i>-1,2,4-triazole}sulfatocadmium dihydrate
• Authors of publication: Li, Yu-xian; Li, Da-wei; Zhao, Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1251
• a: 7.7154 ± 0.0015 Å
• b: 8.0667 ± 0.0016 Å
• c: 16.369 ± 0.003 Å
• α: 100.12 ± 0.03°
• β: 91.64 ± 0.03°
• γ: 112.38 ± 0.03°
• Cell volume: 922.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0275
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes