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Information card for entry 1520021
Preview
| Coordinates | 1520021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H34 Cu F6 N2 O2 |
|---|---|
| Calculated formula | C30 H34 Cu F6 N2 O2 |
| SMILES | [Cu]123Oc4c(C(C)(C)C)cc(cc4C=[N]3[C@@H]3CCCC[C@H]3[N]2=Cc2c(c(cc(c2)C(F)(F)F)C(C)(C)C)O1)C(F)(F)F.[Cu]123Oc4c(C(C)(C)C)cc(cc4C=[N]3[C@H]3CCCC[C@@H]3[N]2=Cc2c(c(cc(c2)C(F)(F)F)C(C)(C)C)O1)C(F)(F)F |
| Title of publication | Influence of Electron-Withdrawing Substituents on the Electronic Structure of Oxidized Ni and Cu Salen Complexes. |
| Authors of publication | Chiang, Linus; Herasymchuk, Khrystyna; Thomas, Fabrice; Storr, Tim |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 12 |
| Pages of publication | 5970 - 5980 |
| a | 8.3007 ± 0.0007 Å |
| b | 17.9066 ± 0.0014 Å |
| c | 19.9819 ± 0.0016 Å |
| α | 90° |
| β | 98.904 ± 0.0015° |
| γ | 90° |
| Cell volume | 2934.3 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1520021.cif |
| 171425 | 2015-12-10 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with empty values from multiple entries. |
1520021.cif |
| 140096 | 2015-07-05 | cif/ Updating files of 1520021 Original log message: Adding full bibliography for 1520021.cif. |
1520021.cif |
| 137429 | 2015-05-28 | cif/ Adding structures of 1520021 via cif-deposit CGI script. |
1520021.cif |
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