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Information card for entry 2019830
Preview
| Coordinates | 2019830.cif |
|---|---|
| Structure factors | 2019830.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido{<i>N</i>^1^-phenyl-<i>N</i>^4^-[(quinolin-2-yl-κ<i>N</i>)methylidene]benzene-1,4-diamine-κ<i>N</i>^4^}mercury(II) |
|---|---|
| Formula | C22 H17 Cl2 Hg N3 |
| Calculated formula | C22 H17 Cl2 Hg N3 |
| SMILES | [n]12c3c(ccc1C=[N](c1ccc(Nc4ccccc4)cc1)[Hg]2(Cl)Cl)cccc3 |
| Title of publication | Crystal structure of dichlorido{N1-phenyl-N4-[(quinolin-2-yl-κN)methylidene]benzene-1,4-diamine-κN4}mercury(II) |
| Authors of publication | Faizi, Md. Serajul Haque; Prisyazhnaya, Elena V.; Iskenderov, Turganbay S. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | m46 |
| a | 29.265 ± 0.005 Å |
| b | 7.5671 ± 0.0013 Å |
| c | 18.811 ± 0.003 Å |
| α | 90° |
| β | 99.271 ± 0.007° |
| γ | 90° |
| Cell volume | 4111.3 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0885 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019830.cif 2019830.hkl |
| 180866 | 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 2/01/98. |
2019830.cif 2019830.hkl |
| 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. |
2019830.cif 2019830.hkl |
| 130255 | 2015-02-01 | cif/ hkl/ Adding structures of 2019830 via cif-deposit CGI script. |
2019830.cif 2019830.hkl |
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Users of the data should acknowledge the original authors of the
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