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Information card for entry 7250550
Preview
| Coordinates | 7250550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44.5 H38.25 Co2 I4 N6 O9 |
|---|---|
| Calculated formula | C44.5 H38.25 Co2 I4 N6 O9 |
| Title of publication | Strong halogen bond with guest molecules in Co(II) 2,5-diiodoterephthalate metal-organic framework |
| Authors of publication | Zaguzin, Alexander S.; Zaitsev, Artem V.; Abramov, Pavel A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 22.7381 ± 0.0004 Å |
| b | 22.6517 ± 0.0005 Å |
| c | 19.7113 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10152.4 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0749 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1305 |
| Weighted residual factors for all reflections included in the refinement | 0.1397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300061 (current) | 2025-06-13 | cif/ Adding structures of 7250550, 7250551 via cif-deposit CGI script. |
7250550.cif |
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