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Information card for entry 7119068
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| Coordinates | 7119068.cif |
|---|
| Formula | C94.45 H106.45 N6 P2 |
|---|---|
| Calculated formula | C62 H74 N6 P2 |
| Title of publication | On the behaviour of biradicaloid [P(mu-NTer)]2 towards Lewis acids and bases |
| Authors of publication | Alexander Hinz; Axel Schulz; Alexander Villinger |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 6328 |
| a | 12.2213 ± 0.0006 Å |
| b | 16.2437 ± 0.0009 Å |
| c | 22.0973 ± 0.0012 Å |
| α | 97.7 ± 0.003° |
| β | 93.029 ± 0.003° |
| γ | 106.714 ± 0.002° |
| Cell volume | 4144.2 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0817 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.1424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184111 (current) | 2016-07-01 | cif/ Adding structures of 7119068, 7119069, 7119070, 7119071 via cif-deposit CGI script. |
7119068.cif |
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Users of the data should acknowledge the original authors of the
structural data.