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Information card for entry 8107649
Preview
| Coordinates | 8107649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Crystal structure of tricarbonyl-chlorido-(N-(pyridin-2-yl)-N-((4-tert- butyl)benzoyl)pyridine-2-amine)rhenium(I) |
|---|---|
| Formula | C24 H21 Cl N3 O4 Re |
| Calculated formula | C24 H21 Cl N3 O4 Re |
| SMILES | [Re]1(Cl)([n]2c(N(C(=O)c3ccc(C(C)(C)C)cc3)c3[n]1cccc3)cccc2)(C#[O])(C#[O])C#[O] |
| Title of publication | Crystal structure of tricarbonyl-chlorido-(N-(pyridin-2-yl)-N-((4-tertbutyl) benzoyl)pyridine-2-amine)rhenium(I), C24H21ClN3O4Re |
| Authors of publication | Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2015 |
| Journal volume | 230 |
| Journal issue | 1 |
| Pages of publication | 44 - 46 |
| a | 22.178 ± 0.001 Å |
| b | 12.4411 ± 0.0005 Å |
| c | 17.1519 ± 0.0007 Å |
| α | 90° |
| β | 90.27 ± 0.002° |
| γ | 90° |
| Cell volume | 4732.5 ± 0.3 Å3 |
| Ambient diffraction temperature | 200 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 significantly intense reflections | 0.0179 |
| Weighted residual factors for significantly intense reflections | 0.0376 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287563 (current) | 2023-11-13 | cif/ Adding structures of 8107649 via cif-deposit CGI script. |
8107649.cif |
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Users of the data should acknowledge the original authors of the
structural data.