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Information card for entry 1574156
Preview
| Coordinates | 1574156.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H77 K N O7 P |
|---|---|
| Calculated formula | C57 H77 K N O7 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 | 10.4542 ± 0.0004 Å |
| b | 20.5804 ± 0.0005 Å |
| c | 25.3528 ± 0.0009 Å |
| α | 90° |
| β | 92.771 ± 0.003° |
| γ | 90° |
| Cell volume | 5448.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0701 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
| 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. |
1574156.cif |
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Users of the data should acknowledge the original authors of the
structural data.