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Information card for entry 1574152
Preview
| Coordinates | 1574152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57.01 H77.01 K N O6 P S2 |
|---|---|
| Calculated formula | C57.0035 H77.004 K N O6 P S2 |
| 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 | 12.4061 ± 0.0007 Å |
| b | 40.667 ± 0.002 Å |
| c | 22.5868 ± 0.0013 Å |
| α | 90° |
| β | 91.183 ± 0.003° |
| γ | 90° |
| Cell volume | 11393 ± 1.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0371 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1574152.cif |
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Users of the data should acknowledge the original authors of the
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