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Information card for entry 7240540
Preview
| Coordinates | 7240540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H36 Cl8 I4 N4 |
|---|---|
| Calculated formula | C50 H36 Cl8 I4 N4 |
| Title of publication | A diamondoid net sustained by halogen bonds: employing a cyclobutane to generate a tetrahedral architecture |
| Authors of publication | Oburn, Shalisa M.; Santana, Carlos; Elacqua, Elizabeth; Groeneman , Ryan |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 11.0411 ± 0.0004 Å |
| b | 16.8624 ± 0.0007 Å |
| c | 28.2059 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5251.4 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0144 |
| Residual factor for significantly intense reflections | 0.014 |
| Weighted residual factors for significantly intense reflections | 0.0319 |
| Weighted residual factors for all reflections included in the refinement | 0.0323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252073 (current) | 2020-05-16 | cif/ Adding structures of 7240540 via cif-deposit CGI script. |
7240540.cif |
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Users of the data should acknowledge the original authors of the
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