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CIF Information Card
Information card for 7205710
7205709 << 7205710 >> 7205711Preview
|
Coordinates |
7205710.cif |
Structure parameters
| Common name | 1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1 |
| Chemical name | 1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1 |
| Formula | - C16 H8 F8 I4 S2 - |
| Calculated formula | - C16 H8 F8 I4 S2 - |
| Title of publication | Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts |
| Authors of publication | Cinčić, Dominik; Friščić, Tomislav; Jones, William |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 3224 |
| a | 6.3597 ± 0.0002 Å |
| b | 8.6865 ± 0.0002 Å |
| c | 11.2216 ± 0.0003 Å |
| α | 69.182 ± 0.001° |
| β | 89.501 ± 0.001° |
| γ | 81.866 ± 0.001° |
| Cell volume | 573.04 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.052 |
| Residual factor for observed reflections | 0.0368 |
| Weighted residual factors for the observed reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.1017 |
| Goodness-of-fit parameter for observed reflections | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |