Information card for entry 2018504

Structure parameters

• Chemical name: <i>catena</i>-poly[[[dichloridomercury(II)]-μ-3,5-bis{4-[(benzimidazol-1- yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine] dichloromethane hemisolvate]
• Formula: C30.5 H25 Cl3 Hg N8
• Calculated formula: C30.5 H25 Cl3 Hg N8
• Title of publication: 3,5-Bis{4-[(benzimidazol-1-yl)methyl]phenyl}-4<i>H</i>-1,2,4-triazol-4-amine and its one-dimensional polymeric complex with HgCl~2~
• Authors of publication: Li, Yan-an; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m152 - m155
• a: 16.627 ± 0.003 Å
• b: 10.6199 ± 0.0018 Å
• c: 20.082 ± 0.003 Å
• α: 90°
• β: 113.586 ± 0.002°
• γ: 90°
• Cell volume: 3249.8 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes