Information card for entry 2231379

Structure parameters

• Chemical name: Bis(μ-3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-amine- κ^2^<i>N</i>^1^:<i>N</i>^2^)bis[bis(thiocyanato-κ<i>N</i>)zinc]‒ bis(3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-amine- κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc (1/2)
• Formula: C32 H48 N32 S8 Zn4
• Calculated formula: C32 H48 N32 S8 Zn4
• Title of publication: Bis(μ-3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-amine-κ^2^<i>N</i>^1^:<i>N</i>^2^)bis[bis(thiocyanato-κ<i>N</i>)zinc]‒bis(3,5-dimethyl-4<i>H</i>-1,2,4-triazol-4-amine-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc (1/2)
• Authors of publication: Ge, Hai-Yan; Li, Bao-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1100 - m1101
• a: 8.7665 ± 0.0008 Å
• b: 9.31 ± 0.0005 Å
• c: 20.661 ± 0.003 Å
• α: 92.56 ± 0.009°
• β: 95.926 ± 0.002°
• γ: 115.427 ± 0.006°
• Cell volume: 1507.3 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes