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Information card for entry 4131798
Preview
| Coordinates | 4131798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H6 N2 S2 |
|---|---|
| Calculated formula | C10 H6 N2 S2 |
| Title of publication | Ex Vivo Tracking of Endogenous CO with a Ruthenium(II) Complex. |
| Authors of publication | Torre, Cristina de la; Toscani, Anita; Marín-Hernández, Cristina; Robson, Jonathan A.; Terencio, María Carmen; White, Andrew J. P.; Alcaraz, María José; Wilton-Ely, James D E T; Martínez-Máñez, Ramón; Sancenón, Félix |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 51 |
| Pages of publication | 18484 - 18487 |
| a | 11.3068 ± 0.0009 Å |
| b | 7.0845 ± 0.0005 Å |
| c | 23.268 ± 0.002 Å |
| α | 90° |
| β | 96.544 ± 0.008° |
| γ | 90° |
| Cell volume | 1851.7 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0706 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1164 |
| Weighted residual factors for all reflections included in the refinement | 0.1283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4131798.cif |
| 241948 | 2019-11-25 | cif/ Adding structures of 4131798, 4131799, 4131800 via cif-deposit CGI script. |
4131798.cif |
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Users of the data should acknowledge the original authors of the
structural data.