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Information card for entry 1529411
Preview
| Coordinates | 1529411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | [(TPyA)2 Cr2 (NMePh)L(3-)] 3(BPh4) 2(CH3CN) |
|---|---|
| Formula | C292 H264 B6 Cr4 N28 |
| Calculated formula | C292 H264 B6 Cr4 N28 |
| 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 | 15.17 ± 0.0006 Å |
| b | 15.9112 ± 0.0006 Å |
| c | 30.3415 ± 0.0011 Å |
| α | 90.924 ± 0.002° |
| β | 97.35 ± 0.002° |
| γ | 115.288 ± 0.002° |
| Cell volume | 6546.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 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 | 0.1117 |
| Residual factor for significantly intense reflections | 0.0812 |
| Weighted residual factors for significantly intense reflections | 0.2147 |
| Weighted residual factors for all reflections included in the refinement | 0.2395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| 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. |
1529411.cif |
| 170990 | 2015-12-09 | cif/ Updating files of 1529407, 1529408, 1529409, 1529410, 1529411 Original log message: Adding full bibliography for 1529407--1529411.cif. |
1529411.cif |
| 153499 | 2015-08-19 | cif/ Adding structures of 1529407, 1529408, 1529409, 1529410, 1529411 via cif-deposit CGI script. |
1529411.cif |
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Users of the data should acknowledge the original authors of the
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