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Information card for entry 7240915
Preview
| Coordinates | 7240915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 Br2 I2 N4 O2 Zn |
|---|---|
| Calculated formula | C24 H18 Br2 I2 N4 O2 Zn |
| SMILES | Ic1ccc(cc1)C(=O)Nc1cc[n]([Zn](Br)(Br)[n]2ccc(cc2)NC(=O)c2ccc(I)cc2)cc1 |
| Title of publication | The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry |
| Authors of publication | Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 9.7184 ± 0.0002 Å |
| b | 27.7576 ± 0.0006 Å |
| c | 9.8707 ± 0.0002 Å |
| α | 90° |
| β | 91.04 ± 0.002° |
| γ | 90° |
| Cell volume | 2662.28 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1287 |
| Weighted residual factors for all reflections included in the refinement | 0.1304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254453 (current) | 2020-07-22 | cif/ Adding structures of 7240911, 7240912, 7240913, 7240914, 7240915 via cif-deposit CGI script. |
7240915.cif |
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Users of the data should acknowledge the original authors of the
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