Information card for entry 2228923

Structure parameters

• Chemical name: Bis(μ-4-amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole)bis[diiodidozinc(II)]
• Formula: C8 H16 I4 N8 Zn2
• Calculated formula: C8 H16 I4 N8 Zn2
• SMILES: c1(C)[n]2[n](c(C)n1N)[Zn](I)(I)[n]1c(C)n(c(C)[n]1[Zn]2(I)I)N
• Title of publication: Bis(μ-4-amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole)bis[diiodidozinc(II)]
• Authors of publication: Zhang, Rongxian; Chen, Qiuyun; Yang, Xiaofei; Wu, Xiangyang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m26
• a: 7.4674 ± 0.0019 Å
• b: 13.442 ± 0.003 Å
• c: 11.412 ± 0.003 Å
• α: 90°
• β: 102.598 ± 0.006°
• γ: 90°
• Cell volume: 1117.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes