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Information card for entry 7242301
Preview
| Coordinates | 7242301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H11 Cu N O6 |
|---|---|
| Calculated formula | C5 H11 Cu N O6 |
| Title of publication | Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives |
| Authors of publication | Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 14 |
| Pages of publication | 8178 - 8197 |
| a | 11.5393 ± 0.0016 Å |
| b | 8.6391 ± 0.0006 Å |
| c | 8.8358 ± 0.0009 Å |
| α | 90° |
| β | 95.746 ± 0.011° |
| γ | 90° |
| Cell volume | 876.41 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0931 |
| Residual factor for significantly intense reflections | 0.0734 |
| Weighted residual factors for significantly intense reflections | 0.2243 |
| Weighted residual factors for all reflections included in the refinement | 0.2824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262184 (current) | 2021-02-24 | cif/ Adding structures of 7242300, 7242301, 7242302, 7242303, 7242304 via cif-deposit CGI script. |
7242301.cif |
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Users of the data should acknowledge the original authors of the
structural data.