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Information card for entry 7709416
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| Coordinates | 7709416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | AS-226 |
|---|---|
| Formula | C70 H64 N2 O11 P4 W2 |
| Calculated formula | C70 H64 N2 O11 P4 W2 |
| Title of publication | Synthesis of azadiphosphiridine complexes. Theoretical studies on ring formation, the P-to-P' metal shift and the resulting nitrogen geometry. |
| Authors of publication | Schmer, Alexander; García Alcaraz, Antonio; Kyri, Andreas Wolfgang; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2022 |
| Journal volume | 51 |
| Journal issue | 8 |
| Pages of publication | 3275 - 3279 |
| a | 9.2415 ± 0.0005 Å |
| b | 13.4649 ± 0.0008 Å |
| c | 14.4358 ± 0.0008 Å |
| α | 86.11 ± 0.004° |
| β | 76.077 ± 0.003° |
| γ | 72.024 ± 0.004° |
| Cell volume | 1658.4 ± 0.17 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0528 |
| Weighted residual factors for all reflections included in the refinement | 0.0569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273373 (current) | 2022-03-05 | cif/ Updating files of 7709415, 7709416 Original log message: Adding full bibliography for 7709415--7709416.cif. |
7709416.cif |
| 272510 | 2022-02-04 | cif/ Adding structures of 7709415, 7709416 via cif-deposit CGI script. |
7709416.cif |
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Users of the data should acknowledge the original authors of the
structural data.