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Information card for entry 7242829
Preview
| Coordinates | 7242829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H28 F10 I2 N2 |
|---|---|
| Calculated formula | C44 H28 F10 I2 N2 |
| Title of publication | Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes |
| Authors of publication | Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 24 |
| Pages of publication | 4247 - 4251 |
| a | 7.6854 ± 0.0001 Å |
| b | 9.3757 ± 0.0002 Å |
| c | 14.3001 ± 0.0003 Å |
| α | 78.9336 ± 0.0008° |
| β | 76.5682 ± 0.0008° |
| γ | 76.3666 ± 0.0007° |
| Cell volume | 963.67 ± 0.03 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0276 |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for significantly intense reflections | 0.0534 |
| Weighted residual factors for all reflections included in the refinement | 0.0549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267100 (current) | 2021-07-05 | cif/ Updating files of 7242828, 7242829, 7242830, 7242831, 7242832, 7242833, 7242834 Original log message: Adding full bibliography for 7242828--7242834.cif. |
7242829.cif |
| 265204 | 2021-05-14 | cif/ Adding structures of 7242828, 7242829, 7242830, 7242831, 7242832, 7242833, 7242834 via cif-deposit CGI script. |
7242829.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.