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Information card for entry 7108888
Preview
| Coordinates | 7108888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H11 Cl4 Fe N2 O2 |
|---|---|
| Calculated formula | C7 H11 Cl4 Fe N2 O2 |
| SMILES | [Fe](Cl)(Cl)(Cl)[Cl-].COC(=O)Cn1c[n+](cc1)C |
| Title of publication | Catalytic "triangles": binding of iron in task-specific ionic liquids |
| Authors of publication | Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 19 |
| Pages of publication | 1915 - 1917 |
| a | 6.3649 ± 0.0005 Å |
| b | 14.6411 ± 0.0011 Å |
| c | 15.9618 ± 0.0012 Å |
| α | 90° |
| β | 101.004 ± 0.009° |
| γ | 90° |
| Cell volume | 1460.1 ± 0.2 Å3 |
| Cell temperature | 253 ± 2 K |
| Ambient diffraction temperature | 253 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.04 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0879 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209773 (current) | 2018-08-16 | cif/7/ Updating bibliography in entries 7108888-7108893, 7112448-7112453. Marking entries 7112448-7112453 as duplicates of entries 7108888-7108893. |
7108888.cif |
| 180192 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/88. |
7108888.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7108888.cif |
| 73260 | 2013-02-19 | cif/ Adding structures of 7108888, 7108889, 7108890, 7108891, 7108892, 7108893 via cif-deposit CGI script. |
7108888.cif |
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Users of the data should acknowledge the original authors of the
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