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Information card for entry 2236736
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| Coordinates | 2236736.cif |
|---|---|
| Structure factors | 2236736.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1-{(<i>E</i>)-[Phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]amino- κ<i>N</i>}pyrrolidin-2-one-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)copper(II) |
|---|---|
| Formula | C18 H15 Cu N5 O S2 |
| Calculated formula | C18 H15 Cu N5 O S2 |
| Title of publication | (1-{(<i>E</i>)-[Phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]amino-κ<i>N</i>}pyrrolidin-2-one-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)copper(II) |
| Authors of publication | Kunnath, Roji J.; Prathapachandra Kurup, M. R.; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1302 |
| a | 11.8883 ± 0.0003 Å |
| b | 13.3578 ± 0.0003 Å |
| c | 23.9669 ± 0.0006 Å |
| α | 90° |
| β | 98.596 ± 0.001° |
| γ | 90° |
| Cell volume | 3763.23 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0806 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1608 |
| Weighted residual factors for all reflections included in the refinement | 0.1686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181289 (current) | 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 2/23/67. |
2236736.cif 2236736.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. |
2236736.cif 2236736.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236736.cif 2236736.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236736.cif 2236736.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236736.cif 2236736.hkl |
| 70339 | 2012-12-21 | cif/ Adding structures of 2236736 via cif-deposit CGI script. |
2236736.cif |
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Users of the data should acknowledge the original authors of the
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