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Information card for entry 2238273
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| Coordinates | 2238273.cif |
|---|---|
| Structure factors | 2238273.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(Dimethylamino)pyridinium trichlorido[4-(dimethylamino)pyridine-κ<i>N</i>]cobaltate(II) |
|---|---|
| Formula | C14 H21 Cl3 Co N4 |
| Calculated formula | C14 H21 Cl3 Co N4 |
| SMILES | [Co](Cl)(Cl)(Cl)[n]1ccc(N(C)C)cc1.N(C)(C)c1cc[nH+]cc1 |
| Title of publication | 4-(Dimethylamino)pyridinium trichlorido[4-(dimethylamino)pyridine-κ<i>N</i>]cobaltate(II) |
| Authors of publication | Guenifa, Fatiha; Hadjadj, Nasreddine; Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m379 - m380 |
| a | 7.7468 ± 0.0002 Å |
| b | 8.4036 ± 0.0002 Å |
| c | 15.4765 ± 0.0004 Å |
| α | 79.732 ± 0.002° |
| β | 89.983 ± 0.002° |
| γ | 67.889 ± 0.002° |
| Cell volume | 916.02 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0229 |
| Residual factor for significantly intense reflections | 0.0205 |
| Weighted residual factors for significantly intense reflections | 0.0526 |
| Weighted residual factors for all reflections included in the refinement | 0.0541 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238273.cif 2238273.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. |
2238273.cif 2238273.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238273.cif 2238273.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238273.cif 2238273.hkl |
| 87534 | 2013-08-27 | cif/ Adding structures of 2238273 via cif-deposit CGI script. |
2238273.cif |
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Users of the data should acknowledge the original authors of the
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