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Information card for entry 2240609
Preview
| Coordinates | 2240609.cif |
|---|---|
| Structure factors | 2240609.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(2-amino-5-chloropyridinium) tetrachloridocobaltate(II) |
|---|---|
| Formula | C10 H12 Cl6 Co N4 |
| Calculated formula | C10 H12 Cl6 Co N4 |
| SMILES | [Co](Cl)(Cl)([Cl-])[Cl-].Clc1ccc(N)[nH+]c1.Clc1ccc([nH+]c1)N |
| Title of publication | Crystal structure of bis(2-amino-5-chloropyridinium) tetrachloridocobaltate(II) |
| Authors of publication | Mghandef, Marwa; Boughzala, Habib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | 555 - 557 |
| a | 13.519 ± 0.002 Å |
| b | 14.945 ± 0.003 Å |
| c | 8.725 ± 0.002 Å |
| α | 90° |
| β | 92.858 ± 0.003° |
| γ | 90° |
| Cell volume | 1760.6 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1034 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240609.cif 2240609.hkl |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
2240609.cif 2240609.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240609.cif 2240609.hkl |
| 136401 | 2015-05-13 | cif/ hkl/ Adding structures of 2240609 via cif-deposit CGI script. |
2240609.cif 2240609.hkl |
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Users of the data should acknowledge the original authors of the
structural data.