Information card for entry 2228081

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}sulfatozinc(II) dihydrate
• Formula: C9 H20 N6 O10 S Zn
• Calculated formula: C9 H20 N6 O10 S Zn
• Title of publication: Tetraaqua{1-[(1<i>H</i>-1,2,3-benzotriazol-1-yl)methyl]-1<i>H</i>-1,2,4-triazole}sulfatozinc(II) dihydrate
• Authors of publication: Wang, Yan-Zhi; Li, Xiao-Kun; Yang, Huai-Xia; Zhou, Wan; Meng, Xiang-Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1483
• a: 7.5439 ± 0.0015 Å
• b: 7.9573 ± 0.0016 Å
• c: 16.151 ± 0.003 Å
• α: 99.6 ± 0.03°
• β: 92.16 ± 0.03°
• γ: 112.24 ± 0.03°
• Cell volume: 879.4 ± 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: 0.0317
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes