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CIF Information Card
Information card for 7205712
7205711 << 7205712 >> 7205713Preview
|
Coordinates |
7205712.cif |
Structure parameters
| Common name | phenazine:tetrafluoro-1,2-diiodobenzene 1/1 |
| Chemical name | phenazine:tetrafluoro-1,2-diiodobenzene 1/1 |
| Formula | - C18 H8 F4 I2 N2 - |
| Calculated formula | - C18 H8 F4 I2 N2 - |
| 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 | 14.3077 ± 0.0003 Å |
| b | 7.6892 ± 0.0002 Å |
| c | 20.0916 ± 0.0004 Å |
| α | 90° |
| β | 125.881 ± 0.001° |
| γ | 90° |
| Cell volume | 1790.92 ± 0.07 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0766 |
| Residual factor for observed reflections | 0.0412 |
| Weighted residual factors for the observed reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for observed reflections | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |