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Information card for entry 7718800
Preview
| Coordinates | 7718800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 Bi Cl5 I2 N2 |
|---|---|
| Calculated formula | C12 H14 Bi Cl4.99 I2 N2 |
| Title of publication | Antimony vs bismuth: structural differences in Cat{[MCl5](I2)} halogen bond-linked supramolecular complexes |
| Authors of publication | Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maksim Nailyevich; Novikov, Alexander S.; Adonin, Sergey A. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 7.4735 ± 0.0002 Å |
| b | 14.2835 ± 0.0004 Å |
| c | 19.7322 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2106.37 ± 0.1 Å3 |
| Cell temperature | 220 K |
| Ambient diffraction temperature | 220 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections included in the refinement | 0.0565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299831 (current) | 2025-05-28 | cif/ Adding structures of 7718795, 7718796, 7718797, 7718798, 7718799, 7718800 via cif-deposit CGI script. |
7718800.cif |
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Users of the data should acknowledge the original authors of the
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