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Information card for entry 2241286
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| Coordinates | 2241286.cif |
|---|---|
| Structure factors | 2241286.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>S</i>)-(+)-Dichlorido[1-phenyl-<i>N</i>-(pyridin-2-ylmethylidene)ethylamine-κ^2^<i>N</i>,<i>N</i>']mercury(II) |
|---|---|
| Formula | C14 H14 Cl2 Hg N2 |
| Calculated formula | C14 H14 Cl2 Hg N2 |
| SMILES | [Hg]1(Cl)(Cl)[n]2ccccc2C=[N]1[C@@H](C)c1ccccc1 |
| Title of publication | Crystal structures of three mercury(II) complexes [HgCl~2~<i>L</i>] where <i>L</i> is a bidentate chiral imine ligand |
| Authors of publication | Hernández, Guadalupe; Bernès, Sylvain; Portillo, Oscar; Ruíz, Alejandro; Moreno, Gloria E.; Gutiérrez, René |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | 1462 - 1466 |
| a | 7.5335 ± 0.0012 Å |
| b | 43.246 ± 0.006 Å |
| c | 9.3069 ± 0.0011 Å |
| α | 90° |
| β | 90.486 ± 0.015° |
| γ | 90° |
| Cell volume | 3032 ± 0.7 Å3 |
| Cell temperature | 298 ± 1 K |
| Ambient diffraction temperature | 298 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.1008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241286.cif 2241286.hkl |
| 170170 | 2015-11-07 | cif/ hkl/ Adding structures of 2241286, 2241287, 2241288 via cif-deposit CGI script. |
2241286.cif 2241286.hkl |
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Users of the data should acknowledge the original authors of the
structural data.