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Information card for entry 4002202
Preview
| Coordinates | 4002202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | La(hfac)3(pyDTDA)2 |
|---|---|
| Formula | C27 H11 F18 La N6 O6 S4 |
| Calculated formula | C27 H11 F18 La N6 O6 S4 |
| SMILES | C12N([La]3456([n]7c1cccc7)([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)(N1C(c3cccc[n]43)=NSS1)(OC(=CC(C(F)(F)F)=[O]5)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]6)C(F)(F)F)SSN=2 |
| Title of publication | Radical‒Radical Recognition: Switchable Magnetic Properties and Re-entrant Behavior |
| Authors of publication | Fatila, Elisabeth M.; Mayo, R. Alex; Rouzières, Mathieu; Jennings, Michael C.; Dechambenoit, Pierre; Soldatov, Dmitriy V.; Mathonière, Corine; Clérac, Rodolphe; Coulon, Claude; Preuss, Kathryn E. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 11 |
| Pages of publication | 4023 |
| a | 21.6251 ± 0.0039 Å |
| b | 12.1226 ± 0.0025 Å |
| c | 17.5034 ± 0.0054 Å |
| α | 90° |
| β | 116.012 ± 0.006° |
| γ | 90° |
| Cell volume | 4123.7 ± 1.7 Å3 |
| Cell temperature | 340 ± 2 K |
| Ambient diffraction temperature | 340 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0499 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1096 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 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. |
4002202.cif |
| 140081 | 2015-07-05 | cif/ Updating files of 4002200, 4002201, 4002202 Original log message: Adding full bibliography for 4002200--4002202.cif. |
4002202.cif |
| 137069 | 2015-05-21 | cif/ Adding structures of 4002202 via cif-deposit CGI script. |
4002202.cif |
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