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Information card for entry 8104874
Preview
| Coordinates | 8104874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 N5 O6 Re |
|---|---|
| Calculated formula | C18 H16 N5 O6 Re |
| SMILES | [Re]1([n]2ccc(C)cc2c2[n]1ccc(c2)C)([n]1[nH]ccc1)(C#[O])(C#[O])C#[O].O=N(=O)[O-] |
| Title of publication | The crystal structure of fac-tricarbonyl(4,4-dimethyl-2,2-dipyridyl-κ2 N,N′)- (pyrazole-κN)rhenium(I) nitrate, C18H16O3N4Re |
| Authors of publication | Moremi, Mamolatelo J.; Alexander, Orbett T.; Vatsha, Banele; Makgopa, Katlego; Manicum, Amanda-Lee E. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 33 - 35 |
| a | 9.8409 ± 0.0006 Å |
| b | 14.0933 ± 0.0009 Å |
| c | 13.9153 ± 0.0009 Å |
| α | 90° |
| β | 90.558 ± 0.002° |
| γ | 90° |
| Cell volume | 1929.8 ± 0.2 Å3 |
| Cell temperature | 99.99 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 5 |
| 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 | 0.034 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0566 |
| Weighted residual factors for all reflections included in the refinement | 0.0584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273988 (current) | 2022-03-25 | cif/ Adding structures of 8104874 via cif-deposit CGI script. |
8104874.cif |
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Users of the data should acknowledge the original authors of the
structural data.