Information card for entry 2231000

Structure parameters

• Chemical name: Bis(<i>μ</i>-4-amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole- <i>κ</i>^2^<i>N</i>^1^:<i>N</i>^2^)bis(dibromidozinc)
• Formula: C8 H16 Br4 N8 Zn2
• Calculated formula: C8 H16 Br4 N8 Zn2
• SMILES: c1([n]2[n](c(C)n1N)[Zn](Br)([n]1c(C)n(c(C)[n]1[Zn]2(Br)Br)N)Br)C
• Title of publication: Bis(<i>{μ</i>}-4-amino-3,5-dimethyl-4<i>H</i>-1,2,4-triazole-<i>{κ</i>}^2^<i>N</i>^1^:<i>N</i>^2^)bis(dibromidozinc)
• Authors of publication: Zhu, Xia; Guo, Ying; Li, Jian-Gang; Wu, Yao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1152 - m1153
• a: 7.0344 ± 0.0017 Å
• b: 12.629 ± 0.003 Å
• c: 11.456 ± 0.003 Å
• α: 90°
• β: 99.951 ± 0.006°
• γ: 90°
• Cell volume: 1002.4 ± 0.4 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: 0.0675
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes