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Information card for entry 2239530
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| Coordinates | 2239530.cif |
|---|---|
| Structure factors | 2239530.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(<i>N</i>,<i>N</i>-diethyl-4-{[(quinolin-2-yl)methylidene]amino-κ^2^<i>N</i>,<i>N</i>'}aniline)mercury(II) |
|---|---|
| Formula | C20 H21 Cl2 Hg N3 |
| Calculated formula | C20 H21 Cl2 Hg N3 |
| SMILES | c12ccccc1ccc1C=[N](c3ccc(cc3)N(CC)CC)[Hg]([n]21)(Cl)Cl |
| Title of publication | Dichlorido(<i>N</i>,<i>N</i>-diethyl-4-{[(quinolin-2-yl)methylidene]amino-κ^2^<i>N</i>,<i>N</i>'}aniline)mercury(II) |
| Authors of publication | Faizi, Md. Serajul Haque; Hussain, Sahid |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m197 |
| a | 8.8522 ± 0.0019 Å |
| b | 9.474 ± 0.002 Å |
| c | 23.512 ± 0.005 Å |
| α | 90° |
| β | 97.446 ± 0.004° |
| γ | 90° |
| Cell volume | 1955.2 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0355 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| 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. |
2239530.cif 2239530.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. |
2239530.cif 2239530.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. |
2239530.cif 2239530.hkl |
| 113298 | 2014-05-10 | cif/ hkl/ Adding structures of 2239530 via cif-deposit CGI script. |
2239530.cif 2239530.hkl |
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