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Information card for entry 2241287
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| Coordinates | 2241287.cif |
|---|---|
| Structure factors | 2241287.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>S</i>)-(+)-Dichlorido[1-(4-methylphenyl)-<i>N</i>-(pyridin-2-ylmethylidene)ethylamine-κ^2^<i>N</i>,<i>N</i>']mercury(II) |
|---|---|
| Formula | C15 H16 Cl2 Hg N2 |
| Calculated formula | C15 H16 Cl2 Hg N2 |
| SMILES | [Hg]1(Cl)(Cl)[n]2ccccc2C=[N]1[C@@H](C)c1ccc(cc1)C |
| 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 | 7.6194 ± 0.0003 Å |
| b | 9.2982 ± 0.0004 Å |
| c | 12.2341 ± 0.0008 Å |
| α | 94.597 ± 0.004° |
| β | 103.178 ± 0.004° |
| γ | 94.222 ± 0.003° |
| Cell volume | 837.43 ± 0.08 Å3 |
| Cell temperature | 294.2 ± 0.8 K |
| Ambient diffraction temperature | 294.2 ± 0.8 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0653 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0504 |
| Weighted residual factors for all reflections included in the refinement | 0.0586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| 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. |
2241287.cif 2241287.hkl |
| 170170 | 2015-11-07 | cif/ hkl/ Adding structures of 2241286, 2241287, 2241288 via cif-deposit CGI script. |
2241287.cif 2241287.hkl |
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Users of the data should acknowledge the original authors of the
structural data.