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Information card for entry 1574501
Preview
| Coordinates | 1574501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H62 Cl2 N5 P3 Se2 |
|---|---|
| Calculated formula | C40 H62 Cl2 N5 P3 Se2 |
| Title of publication | Multi-Site Reduction of Hexachlorophosphazene to Low-Valent PN Heterocycles and Extension to the Reduction of poly-Chlorophosphazene |
| Authors of publication | LaPierre, Etienne; Suvinen, Roope A.; Patrick, Brian O.; Tuononen, Heikki M.; Manners, Ian |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 17.9105 ± 0.0007 Å |
| b | 9.9902 ± 0.0004 Å |
| c | 25.0966 ± 0.001 Å |
| α | 90° |
| β | 100.54 ± 0.002° |
| γ | 90° |
| Cell volume | 4414.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0675 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299387 (current) | 2025-04-25 | cif/ Adding structures of 1574493, 1574494, 1574495, 1574496, 1574497, 1574498, 1574499, 1574500, 1574501 via cif-deposit CGI script. |
1574501.cif |
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Users of the data should acknowledge the original authors of the
structural data.