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Information card for entry 7250330
Preview
| Coordinates | 7250330.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 F6 I N12 O6 P |
|---|---|
| Calculated formula | C36 H36 F6 I N12 O6 P |
| Title of publication | Hierarchical Iodine(I) Complexes of Nicotinamide |
| Authors of publication | Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 7.8185 ± 0.0001 Å |
| b | 8.9131 ± 0.0001 Å |
| c | 14.4394 ± 0.0003 Å |
| α | 91.167 ± 0.001° |
| β | 96.566 ± 0.001° |
| γ | 99.162 ± 0.001° |
| Cell volume | 986.12 ± 0.03 Å3 |
| Cell temperature | 119.81 ± 0.1 K |
| Ambient diffraction temperature | 119.81 ± 0.1 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 | 0.0181 |
| Residual factor for significantly intense reflections | 0.0181 |
| Weighted residual factors for significantly intense reflections | 0.0482 |
| Weighted residual factors for all reflections included in the refinement | 0.0482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299389 (current) | 2025-04-25 | cif/ Adding structures of 7250325, 7250326, 7250327, 7250328, 7250329, 7250330, 7250331, 7250332, 7250333, 7250334 via cif-deposit CGI script. |
7250330.cif |
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Users of the data should acknowledge the original authors of the
structural data.