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Information card for entry 2239523
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| Coordinates | 2239523.cif |
|---|---|
| Structure factors | 2239523.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[[dichloridomercury(II)]-μ-1,4-bis[2-(pyridin-4-yl)ethynyl]benzene-κ^2^<i>N</i>:<i>N'</i>] |
|---|---|
| Formula | C20 H12 Cl2 Hg N2 |
| Calculated formula | C20 H12 Cl2 Hg N2 |
| SMILES | [Hg](Cl)(Cl)[n]1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cc[n](cc1)[Hg](Cl)(Cl)[n]1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccncc1 |
| Title of publication | <i>catena</i>-Poly[[dichloridomercury(II)]-μ-1,4-bis[2-(pyridin-4-yl)ethynyl]benzene-κ^2^<i>N</i>:<i>N</i>'] |
| Authors of publication | Wang, Bin; Li, Ming; Xie, Ya-bo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m208 |
| a | 12.285 ± 0.003 Å |
| b | 4.8482 ± 0.001 Å |
| c | 15.271 ± 0.003 Å |
| α | 90° |
| β | 98 ± 0.03° |
| γ | 90° |
| Cell volume | 900.7 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0291 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239523.cif 2239523.hkl |
| 181314 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95. |
2239523.cif 2239523.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239523.cif 2239523.hkl |
| 113291 | 2014-05-10 | cif/ hkl/ Adding structures of 2239523 via cif-deposit CGI script. |
2239523.cif 2239523.hkl |
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Users of the data should acknowledge the original authors of the
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