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Information card for entry 7250328
Preview
| Coordinates | 7250328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 F6 I N4 O2 P |
|---|---|
| Calculated formula | C12 H12 F6 I N4 O2 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 | 10.9019 ± 0.0001 Å |
| b | 12.7011 ± 0.0002 Å |
| c | 12.2951 ± 0.0002 Å |
| α | 90° |
| β | 90.935 ± 0.001° |
| γ | 90° |
| Cell volume | 1702.23 ± 0.04 Å3 |
| Cell temperature | 120.01 ± 0.1 K |
| Ambient diffraction temperature | 120.01 ± 0.1 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 | 0.0311 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| 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. |
7250328.cif |
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