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Information card for entry 2239776
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| Coordinates | 2239776.cif |
|---|---|
| Structure factors | 2239776.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido{(2<i>E</i>)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinecarbothioamide}cadmium(II) methanol monosolvate |
|---|---|
| Formula | C14 H16 Cd Cl2 N4 O S |
| Calculated formula | C14 H16 Cd Cl2 N4 O S |
| SMILES | c1cccc2C(c3ccccc3)=[N]3NC(=[S][Cd]3([n]12)(Cl)Cl)N.CO |
| Title of publication | Dichlorido{(2<i>E</i>)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinecarbothioamide}cadmium(II) methanol monosolvate |
| Authors of publication | Aravindakshan, Ambili A.; Seena, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| Pages of publication | m301 - m302 |
| a | 7.7213 ± 0.0004 Å |
| b | 12.9759 ± 0.0008 Å |
| c | 18.3318 ± 0.0011 Å |
| α | 90° |
| β | 95.248 ± 0.002° |
| γ | 90° |
| Cell volume | 1828.98 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0343 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0695 |
| Weighted residual factors for all reflections included in the refinement | 0.0744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181897 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/97. |
2239776.cif 2239776.hkl |
| 181316 | 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 2/23/97. |
2239776.cif 2239776.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. |
2239776.cif 2239776.hkl |
| 120514 | 2014-07-17 | cif/ hkl/ Adding structures of 2239776 via cif-deposit CGI script. |
2239776.cif 2239776.hkl |
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