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Information card for entry 7100007
Preview
| Coordinates | 7100007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 D9 I2 N |
|---|---|
| Calculated formula | C3 D9 I2 N |
| Title of publication | Exploring the full range of N⋯I⋯X halogen-bonding interactions within a single compound using pressure |
| Authors of publication | Jones, Richard H.; Bull, Craig L.; Funnell, Nicholas P.; Knight, Kevin S.; Marshall, William G. |
| Journal of publication | Chemical Communications |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 35 |
| Pages of publication | 4663 - 4666 |
| a | 11.2958 ± 0.0024 Å |
| b | 8.3957 ± 0.0015 Å |
| c | 8.4088 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 797.5 ± 0.3 Å3 |
| Cell temperature | 250 K |
| Ambient diffraction temperature | 250 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1123 (current) | 2025-07-01 | cif/ Adding structures of 7100000, 7100001, 7100002, 7100003, 7100004, 7100005, 7100006, 7100007, 7100008, 7100009, 7100010, 7100011, 7100012, 7100013 via cif-deposit CGI script. |
7100007.cif |
All data in the TESTCOD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.