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Information card for entry 7234931
Preview
| Coordinates | 7234931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H7 I5 O3 |
|---|---|
| Calculated formula | C9 H7 I5 O3 |
| 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 | 21.5195 ± 0.0007 Å |
| b | 8.8433 ± 0.0003 Å |
| c | 16.5517 ± 0.0005 Å |
| α | 90° |
| β | 90.697 ± 0.003° |
| γ | 90° |
| Cell volume | 3149.61 ± 0.18 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0499 |
| Weighted residual factors for all reflections included in the refinement | 0.0547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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. |
7234931.cif |
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Users of the data should acknowledge the original authors of the
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