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Information card for entry 7234933
Preview
| Coordinates | 7234933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H16 I5 N O2 |
|---|---|
| Calculated formula | C13 H16 I5 N O2 |
| Title of publication | Halogen bonding in the structures of pentaiodobenzoic acid and its salts |
| Authors of publication | Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 43 |
| Pages of publication | 6666 |
| a | 17.9973 ± 0.0006 Å |
| b | 11.054 ± 0.0005 Å |
| c | 10.3194 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2052.96 ± 0.14 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0417 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223246 (current) | 2019-11-05 | cif/ Adding structures of 7234931, 7234932, 7234933, 7234934, 7234935 via cif-deposit CGI script. |
7234933.cif |
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Users of the data should acknowledge the original authors of the
structural data.