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Information card for entry 7039927
Preview
| Coordinates | 7039927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H36 B2 F8 Fe N14 O3 |
|---|---|
| Calculated formula | C34 H36 B2 F8 Fe N14 O3 |
| SMILES | [Fe]1234([n]5c([C@H]6Nc7c(C(=O)N6[N]1=Cc1c[nH]c[n]21)cccc7)c[nH]c5)[n]1c[nH]cc1C=[N]3N1[C@@H](c2c[nH]c[n]42)Nc2ccccc2C1=O.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O(CC)CC |
| Title of publication | Room-temperature switching of magnetic hysteresis by reversible single-crystal-to-single-crystal solvent exchange in imidazole-inspired Fe(ii) complexes. |
| Authors of publication | Huang, Wei; Shen, Fuxing; Zhang, Ming; Wu, Dayu; Pan, Feifei; Sato, Osamu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 38 |
| Pages of publication | 14911 - 14918 |
| a | 9.2819 ± 0.0007 Å |
| b | 19.2352 ± 0.0014 Å |
| c | 21.4352 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3827 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.09 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1676 |
| Weighted residual factors for all reflections included in the refinement | 0.1852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039927.cif |
| 187056 | 2016-10-08 | cif/ Updating files of 7039927, 7039928, 7039929, 7039930 Original log message: Adding full bibliography for 7039927--7039930.cif. |
7039927.cif |
| 184540 | 2016-07-20 | cif/ Adding structures of 7039927, 7039928, 7039929, 7039930 via cif-deposit CGI script. |
7039927.cif |
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Users of the data should acknowledge the original authors of the
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