Information card for entry 2019410

Structure parameters

• Chemical name: 1,1'-Bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole
• Formula: C26 H20 N6
• Calculated formula: C26 H20 N6
• SMILES: n1ccc(cc1)Cn1c2ccccc2nc1c1nc2c(n1Cc1ccncc1)cccc2
• 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: 10.094 ± 0.004 Å
• b: 10.183 ± 0.004 Å
• c: 10.972 ± 0.004 Å
• α: 106.389 ± 0.005°
• β: 103.167 ± 0.005°
• γ: 98.409 ± 0.005°
• Cell volume: 1026.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No