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CIF Information Card
Information card for 7205711
7205710 << 7205711 >> 7205712Preview
|
Coordinates |
7205711.cif |
Structure parameters
| Common name | acridine:tetrafluoro-1,2-diiodobenzene 7/4 |
| Chemical name | acridine:tetrafluoro-1,2-diiodobenzene 7/4 |
| Formula | - C115 H63 F16 I8 N7 - |
| Calculated formula | - C115 H63 F16 I8 N7 - |
| 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 | 9.3792 ± 0.0001 Å |
| b | 13.262 ± 0.0002 Å |
| c | 20.959 ± 0.0004 Å |
| α | 74.809 ± 0.001° |
| β | 88.358 ± 0.001° |
| γ | 78.396 ± 0.001° |
| Cell volume | 2463.71 ± 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 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0829 |
| Residual factor for observed reflections | 0.0438 |
| Weighted residual factors for the observed reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for observed reflections | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |