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Information card for entry 7250551
Preview
| Coordinates | 7250551.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22.5 H20.13 Co I2 N2.87 O4.87 |
|---|---|
| Calculated formula | C22.5 H20.1333 Co I2 N2.86667 O4.86667 |
| 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 | 15.5617 ± 0.0005 Å |
| b | 34.0855 ± 0.0011 Å |
| c | 14.1496 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7505.3 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 30 |
| Hermann-Mauguin space group symbol | P n c 2 |
| Hall space group symbol | P 2 -2bc |
| Residual factor for all reflections | 0.1018 |
| Residual factor for significantly intense reflections | 0.0773 |
| Weighted residual factors for significantly intense reflections | 0.155 |
| Weighted residual factors for all reflections included in the refinement | 0.1653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| 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. |
7250551.cif |
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