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Information card for entry 1529407
Preview
| Coordinates | 1529407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C166 H146 B4 Cr2 N12 |
|---|---|
| Calculated formula | C166 H146 B4 Cr2 N12 |
| Title of publication | A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling |
| Authors of publication | DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 11 |
| Pages of publication | 6639 |
| a | 15.3682 ± 0.0007 Å |
| b | 15.9908 ± 0.0007 Å |
| c | 17.5923 ± 0.001 Å |
| α | 72.813 ± 0.003° |
| β | 69.832 ± 0.004° |
| γ | 68.859 ± 0.003° |
| Cell volume | 3712.1 ± 0.3 Å3 |
| Cell temperature | 99.99 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1064 |
| Residual factor for significantly intense reflections | 0.0822 |
| Weighted residual factors for significantly intense reflections | 0.2053 |
| Weighted residual factors for all reflections included in the refinement | 0.2222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1529407.cif |
| 170990 | 2015-12-09 | cif/ Updating files of 1529407, 1529408, 1529409, 1529410, 1529411 Original log message: Adding full bibliography for 1529407--1529411.cif. |
1529407.cif |
| 153499 | 2015-08-19 | cif/ Adding structures of 1529407, 1529408, 1529409, 1529410, 1529411 via cif-deposit CGI script. |
1529407.cif |
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Users of the data should acknowledge the original authors of the
structural data.