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Information card for entry 2019410
Preview
| Coordinates | 2019410.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2019410.cif |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019410.cif |
| 104777 | 2014-03-11 | cif/ hkl/ Adding structures of 2019410, 2019411, 2019412, 2019413 via cif-deposit CGI script. |
2019410.cif |
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Users of the data should acknowledge the original authors of the
structural data.