Information card for entry 2018515

Structure parameters

• Chemical name: <i>catena</i>-poly[[tris[dibromidomercury(II)]-bis{μ~3~-4-amino- 5-(pyridin-3-yl)-3-[4-(pyridin-4-yl)phenyl]-4<i>H</i>-1,2,4-triazole}] acetonitrile monosolvate]
• Formula: C38 H31 Br6 Hg3 N13
• Calculated formula: C38 H31 Br6 Hg3 N13
• Title of publication: One-dimensional coordination polymers generated from a new triazole bridging ligand and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I): characterization and luminescent properties
• Authors of publication: Qin, Na; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m147 - m151
• a: 12.8037 ± 0.0016 Å
• b: 27.89 ± 0.004 Å
• c: 13.0245 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4651 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes