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Information card for entry 7056368
Preview
| Coordinates | 7056368.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H15 N5 O6 Ru |
|---|---|
| Calculated formula | C12 H15 N5 O6 Ru |
| SMILES | [Ru](O)(N=O)(N(=O)=O)(N(=O)=O)([n]1ccc(cc1)C)[n]1ccc(cc1)C |
| Title of publication | Influence of pyridine-like ligands on the structure, photochemical and biological properties of nitro-nitrosyl ruthenium complexes. |
| Authors of publication | Kostin, Gennadiy; Mikhailov, Artem Alexandrovich; Kuratieva, Natalia; Pishchur, Denis P.; Zharkov, Dmitry O.; Grin, Inga Rostislavovna |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| Journal volume | 41 |
| Journal issue | 15 |
| Pages of publication | 7758 - 7765 |
| a | 9.459 ± 0.0002 Å |
| b | 9.9164 ± 0.0003 Å |
| c | 17.3619 ± 0.0005 Å |
| α | 90° |
| β | 94.27 ± 0.001° |
| γ | 90° |
| Cell volume | 1624.01 ± 0.08 Å3 |
| Cell temperature | 80 ± 2 K |
| Ambient diffraction temperature | 80 ± 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 | 0.0192 |
| Residual factor for significantly intense reflections | 0.0182 |
| Weighted residual factors for significantly intense reflections | 0.0457 |
| Weighted residual factors for all reflections included in the refinement | 0.0462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7056368.cif |
| 301442 | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7056368.cif |
| 198112 | 2017-06-23 | cif/ Adding structures of 7056365, 7056366, 7056367, 7056368, 7056369 via cif-deposit CGI script. |
7056368.cif |
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Users of the data should acknowledge the original authors of the
structural data.