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Information card for entry 1519372
Preview
| Coordinates | 1519372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | [bis(pyridine)iodine]nitrate |
|---|---|
| Formula | C10 H10 I N3 O3 |
| Calculated formula | C10 H10 I N3 O3 |
| Title of publication | Counterion influence on the N–I–N halogen bond |
| Authors of publication | Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 7 |
| Pages of publication | 3746 |
| a | 7.0864 ± 0.0003 Å |
| b | 7.4613 ± 0.0003 Å |
| c | 13.5366 ± 0.0006 Å |
| α | 99.491 ± 0.004° |
| β | 94.725 ± 0.004° |
| γ | 117.637 ± 0.004° |
| Cell volume | 614.97 ± 0.05 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1519372.cif |
| 143323 | 2015-07-10 | cif/ Updating files of 1519367, 1519368, 1519369, 1519370, 1519371, 1519372, 1519373, 1519374, 1519375, 1519376, 1519377, 1519378, 1519379, 1519380, 1519381 Original log message: Adding full bibliography for 1519367--1519381.cif. |
1519372.cif |
| 135785 | 2015-05-09 | cif/ Adding structures of 1519367, 1519368, 1519369, 1519370, 1519371, 1519372, 1519373, 1519374, 1519375, 1519376, 1519377, 1519378, 1519379, 1519380, 1519381 via cif-deposit CGI script. |
1519372.cif |
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Users of the data should acknowledge the original authors of the
structural data.