Information card for entry 2019411

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridomercury(II)]-μ-1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole]
• Formula: C26 H20 Cl2 Hg N6
• Calculated formula: C26 H20 Cl2 Hg N6
• SMILES: [Hg](Cl)(Cl)[n]1ccc(cc1)Cn1c(nc2c1cccc2)c1n(c2c(n1)cccc2)Cc2cc[n](cc2)[Hg](Cl)(Cl)[n]3ccc(cc3)Cn3c(nc4c3cccc4)c3n(c4c(n3)cccc4)Cc4ccncc4
• Title of publication: Three one-dimensional coordination polymers based on 1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole and Hg<i>X</i>~2~ (<i>X</i> = Cl, Br and I)
• Authors of publication: Li, Ai-Guo; Liu, Qi-Kui; Li, Yan-An; Liu, Zhi-Xian; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 37 - 42
• a: 29.641 ± 0.015 Å
• b: 4.953 ± 0.002 Å
• c: 16.932 ± 0.008 Å
• α: 90°
• β: 99.236 ± 0.011°
• γ: 90°
• Cell volume: 2454 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No