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Information card for entry 8105897
Preview
| Coordinates | 8105897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H11 F4 I2 N3 |
|---|---|
| Calculated formula | C21 H11 F4 I2 N3 |
| Title of publication | Halogen bonds in the crystal structure of 4,3:5,4-terpyridine – 1,4-diiodotetrafluorobenzene (1/1), C21H11F4I2N3 |
| Authors of publication | Wang, Weizhou |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 5 |
| Pages of publication | 935 - 937 |
| a | 17.9705 ± 0.0008 Å |
| b | 6.5423 ± 0.0003 Å |
| c | 17.8916 ± 0.0008 Å |
| α | 90° |
| β | 98.634 ± 0.004° |
| γ | 90° |
| Cell volume | 2079.65 ± 0.16 Å3 |
| Cell temperature | 290.52 ± 0.18 K |
| Ambient diffraction temperature | 290.52 ± 0.18 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0727 |
| Weighted residual factors for all reflections included in the refinement | 0.0784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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 |
|---|---|---|---|
| 278646 (current) | 2022-10-20 | cif/ Adding structures of 8105897 via cif-deposit CGI script. |
8105897.cif |
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