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Information card for entry 2019521
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| Coordinates | 2019521.cif |
|---|---|
| Structure factors | 2019521.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraethylammonium tetrachloridoferrate(III) |
|---|---|
| Formula | C8 H20 Cl4 Fe N |
| Calculated formula | C8 H20 Cl4 Fe N |
| SMILES | [N+](CC)(CC)(CC)CC.[Fe](Cl)(Cl)(Cl)[Cl-] |
| Title of publication | Phase transitions and twinned low-temperature structures of tetraethylammonium tetrachloridoferrate(III) |
| Authors of publication | Lutz, Martin; Huang, Yuxing; Moret, Marc-Etienne; Klein Gebbink, Robertus J. M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | 470 - 476 |
| a | 14.0182 ± 0.0008 Å |
| b | 8.1493 ± 0.0005 Å |
| c | 12.8767 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1471.02 ± 0.15 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.015 |
| Residual factor for significantly intense reflections | 0.0141 |
| Weighted residual factors for significantly intense reflections | 0.0332 |
| Weighted residual factors for all reflections included in the refinement | 0.0335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181865 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019521.cif 2019521.hkl |
| 180863 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/95. |
2019521.cif 2019521.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019521.cif 2019521.hkl |
| 115945 | 2014-06-06 | cif/ Updating files of 2019519, 2019520, 2019521, 2019522 Original log message: Adding full bibliography for 2019519--2019522.cif. |
2019521.cif 2019521.hkl |
| 111645 | 2014-04-25 | cif/ hkl/ Adding structures of 2019519, 2019520, 2019521, 2019522 via cif-deposit CGI script. |
2019521.cif 2019521.hkl |
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Users of the data should acknowledge the original authors of the
structural data.