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Information card for entry 8106523
Preview
| Coordinates | 8106523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H14 Cl2 F4 I2 N4 |
|---|---|
| Calculated formula | C30 H14 Cl2 F4 I2 N4 |
| Title of publication | Crystal structure of halogen-bonded 2-chloro-1,10-phenanthroline—1,4-diiodotetrafluorobenzene (2/1), C30H14Cl2F4I2N4 |
| Authors of publication | Wang, Jian-Ge; Wang, Weizhou |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 2 |
| Pages of publication | 323 - 324 |
| a | 17.3143 ± 0.0009 Å |
| b | 8.7081 ± 0.0004 Å |
| c | 19.6795 ± 0.0008 Å |
| α | 90° |
| β | 101.795 ± 0.004° |
| γ | 90° |
| Cell volume | 2904.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0426 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280496 (current) | 2023-01-21 | cif/ Adding structures of 8106523 via cif-deposit CGI script. |
8106523.cif |
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Users of the data should acknowledge the original authors of the
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