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Information card for entry 7123586
Preview
| Coordinates | 7123586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H12.18 Cl N3 O3.59 Re |
|---|---|
| Calculated formula | C13 H12.176 Cl N3 O3.588 Re |
| Title of publication | Carbon Nitride as a Ligand: Edge-Site Coordination of ReCl(CO)3-fragments to g-C3N4 |
| Authors of publication | Coulson, Ben; Issacs, Mark; Lari, Leonardo; Douthwaite, Richard E. E.; Duhme-klair, Anne-Kathrin |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 12.6764 ± 0.0002 Å |
| b | 12.0574 ± 0.0001 Å |
| c | 20.0284 ± 0.0002 Å |
| α | 90° |
| β | 95.042 ± 0.001° |
| γ | 90° |
| Cell volume | 3049.38 ± 0.06 Å3 |
| Cell temperature | 110.05 ± 0.1 K |
| Ambient diffraction temperature | 110.05 ± 0.1 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 | 0.0291 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0511 |
| Weighted residual factors for all reflections included in the refinement | 0.0525 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215667 (current) | 2019-06-04 | cif/ Adding structures of 7123586 via cif-deposit CGI script. |
7123586.cif |
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Users of the data should acknowledge the original authors of the
structural data.