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Information card for entry 7246479
Preview
| Coordinates | 7246479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H6 Cl4 Cu I2 N2 |
|---|---|
| Calculated formula | C10 H6 Cl4 Cu I2 N2 |
| Title of publication | Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies |
| Authors of publication | Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 16 |
| Pages of publication | 2390 - 2403 |
| a | 6.5889 ± 0.0019 Å |
| b | 8.4455 ± 0.001 Å |
| c | 14.91 ± 0.007 Å |
| α | 90° |
| β | 99.21 ± 0.04° |
| γ | 90° |
| Cell volume | 819 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0557 |
| Weighted residual factors for all reflections included in the refinement | 0.0652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283208 (current) | 2023-05-05 | cif/ Updating files of 7246477, 7246478, 7246479, 7246480, 7246481 Original log message: Adding full bibliography for 7246477--7246481.cif. |
7246479.cif |
| 281962 | 2023-03-22 | cif/ Adding structures of 7246477, 7246478, 7246479, 7246480, 7246481 via cif-deposit CGI script. |
7246479.cif |
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Users of the data should acknowledge the original authors of the
structural data.