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Information card for entry 7249453
Preview
| Coordinates | 7249453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H18 Cl N2 O2 P S2 |
|---|---|
| Calculated formula | C12 H18 Cl N2 O2 P S2 |
| Title of publication | Supramolecular motifs formed by CH3/Cl-substituted arene groups: evidence for structural differences in thiophosphoramides and similarities in their complexes |
| Authors of publication | Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Zmeškalová, Eliška; Poupon, Morgane |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 44 |
| Pages of publication | 32206 - 32220 |
| a | 7.629 ± 0.0001 Å |
| b | 7.6702 ± 0.0001 Å |
| c | 14.1025 ± 0.0004 Å |
| α | 94.2128 ± 0.0019° |
| β | 99.531 ± 0.002° |
| γ | 98.0165 ± 0.0016° |
| Cell volume | 801.93 ± 0.03 Å3 |
| Cell temperature | 95 K |
| Ambient diffraction temperature | 95 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0258 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for all reflections | 0.0713 |
| Weighted residual factors for significantly intense reflections | 0.071 |
| Weighted residual factors for all reflections included in the refinement | 0.0713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9743 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295471 (current) | 2024-10-13 | cif/ Adding structures of 7249453, 7249454, 7249455, 7249456 via cif-deposit CGI script. |
7249453.cif |
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Users of the data should acknowledge the original authors of the
structural data.