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Information card for entry 1552118
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| Coordinates | 1552118.cif |
|---|---|
| Structure factors | 1552118.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate |
|---|---|
| Formula | C12 H6 Cl4 I2 |
| Calculated formula | C12 H6 Cl4 I2 |
| SMILES | c1(c(Cl)c(c(c(c1Cl)Cl)I)Cl)I.c1ccccc1 |
| Title of publication | 1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate |
| Authors of publication | Bosch, Eric |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 7 |
| Pages of publication | x190993 |
| a | 5.4399 ± 0.0004 Å |
| b | 6.3599 ± 0.0004 Å |
| c | 11.0232 ± 0.0008 Å |
| α | 96.702 ± 0.001° |
| β | 92.728 ± 0.001° |
| γ | 98.599 ± 0.001° |
| Cell volume | 373.69 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0134 |
| Residual factor for significantly intense reflections | 0.0131 |
| Weighted residual factors for significantly intense reflections | 0.0315 |
| Weighted residual factors for all reflections included in the refinement | 0.0317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217193 (current) | 2019-07-20 | cif/ hkl/ Adding structures of 1552118 via cif-deposit CGI script. |
1552118.cif 1552118.hkl |
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Users of the data should acknowledge the original authors of the
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