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Information card for entry 1565073
Preview
| Coordinates | 1565073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H34 N4 Y |
|---|---|
| Calculated formula | C28 H34 N4 Y |
| Title of publication | A rare earth metallocene containing a 2,2′-azopyridyl radical anion |
| Authors of publication | Delano IV, Francis; Castellanos, Ernesto; McCracken, John; Demir, Selvan |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 9.27977 ± 0.00015 Å |
| b | 15.8832 ± 0.0002 Å |
| c | 17.3902 ± 0.0003 Å |
| α | 88.345 ± 0.0012° |
| β | 82.9269 ± 0.0013° |
| γ | 86.1875 ± 0.0012° |
| Cell volume | 2537.49 ± 0.07 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.0474 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270110 (current) | 2021-10-29 | cif/ Adding structures of 1565073 via cif-deposit CGI script. |
1565073.cif |
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Users of the data should acknowledge the original authors of the
structural data.