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Information card for entry 7241314
Preview
| Coordinates | 7241314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H16 Br2 Cl4 N10 Zn2 |
|---|---|
| Calculated formula | C22 H16 Br2 Cl4 N10 Zn2 |
| Title of publication | A C(π-hole)···Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly |
| Authors of publication | Ramirez de Arellano, Carmen; Adam, Rosa; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; Alkorta, Ibon; Elguero, Jose; Escrivá, Emilio |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 15.3058 ± 0.0005 Å |
| b | 12.5506 ± 0.0003 Å |
| c | 15.1113 ± 0.0004 Å |
| α | 90° |
| β | 99.054 ± 0.003° |
| γ | 90° |
| Cell volume | 2866.67 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0278 |
| Residual factor for significantly intense reflections | 0.0186 |
| Weighted residual factors for significantly intense reflections | 0.0434 |
| Weighted residual factors for all reflections included in the refinement | 0.0441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256785 (current) | 2020-09-26 | cif/ Adding structures of 7241313, 7241314 via cif-deposit CGI script. |
7241314.cif |
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Users of the data should acknowledge the original authors of the
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