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Information card for entry 7038684
Preview
| Coordinates | 7038684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (E)-1,2-bis(4-(trifluoromethyl)pyridin-2-yl)diazene |
|---|---|
| Formula | C12 H6 F6 N4 |
| Calculated formula | C12 H6 F6 N4 |
| Title of publication | Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines. |
| Authors of publication | Kottelat, E.; Ruggi, A.; Zobi, F. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 16 |
| Pages of publication | 6920 - 6927 |
| a | 4.6634 ± 0.0004 Å |
| b | 11.6504 ± 0.0012 Å |
| c | 13.1188 ± 0.0014 Å |
| α | 113.797 ± 0.008° |
| β | 93.861 ± 0.008° |
| γ | 100.985 ± 0.008° |
| Cell volume | 631.9 ± 0.12 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1351 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.779 |
| Diffraction radiation probe | x-ray |
| 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. |
7038684.cif |
| 182712 | 2016-05-06 | cif/ Updating files of 7038683, 7038684, 7038685, 7038686, 7038687 Original log message: Adding full bibliography for 7038683--7038687.cif. |
7038684.cif |
| 177269 | 2016-03-04 | cif/ Adding structures of 7038683, 7038684, 7038685, 7038686, 7038687 via cif-deposit CGI script. |
7038684.cif |
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Users of the data should acknowledge the original authors of the
structural data.