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Information card for entry 1574155
Preview
| Coordinates | 1574155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44.5 H61 N Na O5 P |
|---|---|
| Calculated formula | C44.5 H61 N Na O5 P |
| Title of publication | Coordination Isomerism in Dioxophosphorane Cyanides |
| Authors of publication | Nasrullah, Ayu Afiqah; Zander, Edgar; Dankert, Fabian; Petrov, Andrey; Surkau, Jonas; Barath, Eszter; Hering-Junghans, Christian |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 14.468 ± 0.003 Å |
| b | 17.705 ± 0.004 Å |
| c | 18.868 ± 0.004 Å |
| α | 70.73 ± 0.03° |
| β | 77.25 ± 0.03° |
| γ | 75.49 ± 0.03° |
| Cell volume | 4366.2 ± 1.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0944 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1384 |
| Weighted residual factors for all reflections included in the refinement | 0.1581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298425 (current) | 2025-03-14 | cif/ Adding structures of 1574150, 1574151, 1574152, 1574153, 1574154, 1574155, 1574156, 1574157 via cif-deposit CGI script. |
1574155.cif |
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Users of the data should acknowledge the original authors of the
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