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Information card for entry 2019412
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| Coordinates | 2019412.cif |
|---|---|
| Structure factors | 2019412.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[dibromidomercury(II)]-μ-1,1'-bis(pyridin-4-ylmethyl)-2,2'-bi-1<i>H</i>-benzimidazole] |
|---|---|
| Formula | C26 H20 Br2 Hg N6 |
| Calculated formula | C26 H20 Br2 Hg N6 |
| SMILES | [Hg](Br)(Br)[n]1ccc(cc1)Cn1c(nc2c1cccc2)c1n(c2c(n1)cccc2)Cc2cc[n](cc2)[Hg](Br)(Br)[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 | 24.494 ± 0.008 Å |
| b | 6.006 ± 0.002 Å |
| c | 17.306 ± 0.006 Å |
| α | 90° |
| β | 95.796 ± 0.004° |
| γ | 90° |
| Cell volume | 2532.9 ± 1.5 Å3 |
| 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 | 0.0402 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019412.cif 2019412.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019412.cif 2019412.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2019412.cif 2019412.hkl |
| 104777 | 2014-03-11 | cif/ hkl/ Adding structures of 2019410, 2019411, 2019412, 2019413 via cif-deposit CGI script. |
2019412.cif 2019412.hkl |
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Users of the data should acknowledge the original authors of the
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