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Information card for entry 2241484
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| Coordinates | 2241484.cif |
|---|---|
| Structure factors | 2241484.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(quinolin-1-ium) tetrachloridoferrate(III) chloride |
|---|---|
| Formula | C18 H16 Cl5 Fe N2 |
| Calculated formula | C18 H16 Cl5 Fe N2 |
| SMILES | [Fe](Cl)(Cl)(Cl)[Cl-].[Cl-].[nH+]1c2c(ccc1)cccc2.[nH+]1c2ccccc2ccc1 |
| Title of publication | Crystal structure of bis(quinolin-1-ium) tetrachloridoferrate(III) chloride |
| Authors of publication | Boudjarda, Azzedine; Bouchouit, Karim; Arroudj, Samiha; Bouacida, Sofiane; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | m273 - m274 |
| a | 8.424 ± 0.002 Å |
| b | 10.435 ± 0.003 Å |
| c | 13.022 ± 0.004 Å |
| α | 109.626 ± 0.018° |
| β | 100.197 ± 0.019° |
| γ | 90.893 ± 0.019° |
| Cell volume | 1057.7 ± 0.5 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0491 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0682 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241484.cif 2241484.hkl |
| 174734 | 2016-01-22 | cif/ hkl/ Adding structures of 2241484 via cif-deposit CGI script. |
2241484.cif 2241484.hkl |
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public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.