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Information card for entry 7708510
Preview
| Coordinates | 7708510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H32 Co N2 S4 |
|---|---|
| Calculated formula | C30 H32 Co N2 S4 |
| SMILES | [Co]1234([S](C)c5ccccc5N1Cc1ccccc1[S]2C)[S](C)c1ccccc1N3Cc1ccccc1[S]4C |
| Title of publication | Same ligand, three first-row metals: Comparing M-amido bifunctional reactivity (Mn, Fe, Co) |
| Authors of publication | Elsby, Matthew; Kim, Scott Y. H.; Steinmann, Stephan; Baker, R. Tom |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 14.3526 ± 0.0005 Å |
| b | 10.3708 ± 0.0004 Å |
| c | 19.811 ± 0.0006 Å |
| α | 90° |
| β | 107.76 ± 0.002° |
| γ | 90° |
| Cell volume | 2808.29 ± 0.17 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0783 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269801 (current) | 2021-10-07 | cif/ Adding structures of 7708510 via cif-deposit CGI script. |
7708510.cif |
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Users of the data should acknowledge the original authors of the
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