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Information card for entry 1551589
Preview
| Coordinates | 1551589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H26 Cl N6 O3.5 Ru |
|---|---|
| Calculated formula | C28 H26 Cl N6 O3.5 Ru |
| SMILES | [Ru]123(OC(=O)c4[n]3cccc4)([n]3c(cccc3)c3[n]1cccc3)[n]1c(cccc1)c1[n]2cccc1.[Cl-].O.O.N#CC |
| Title of publication | Crystal Structure of (2-Picolinato)bis(2,2′-bipyridine)ruthenium(II) Chloride |
| Authors of publication | TOYAMA, Mari; NAKAYASU, Toshifumi; NAGAO, Noriharu |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2017 |
| Journal volume | 33 |
| Journal issue | 0 |
| Pages of publication | 11 |
| a | 15.4085 ± 0.00014 Å |
| b | 13.0737 ± 0.00014 Å |
| c | 27.383 ± 0.0003 Å |
| α | 90° |
| β | 98.0922 ± 0.0009° |
| γ | 90° |
| Cell volume | 5461.27 ± 0.1 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0709 |
| Weighted residual factors for all reflections included in the refinement | 0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551589.cif |
| 216199 | 2019-06-20 | cif/ Adding structures of 1551589 via cif-deposit CGI script. |
1551589.cif |
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Users of the data should acknowledge the original authors of the
structural data.