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Information card for entry 1559273
Preview
| Coordinates | 1559273.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H34 N7 O4 Ru |
|---|---|
| Calculated formula | C30 H34 N7 O4 Ru |
| SMILES | [Ru]123(Oc4ccccc4C4NCC[N]1=4)(Oc1ccccc1C1NCC[N]2=1)Oc1ccccc1C1NCC[N]3=1.C(=O)N(C)C |
| Title of publication | Synthesis and Crystal Structure of Tris[2-(2-imidazolinyl)phenolato]ruthenium(III) |
| Authors of publication | MITSUHASHI, Ryoji; MIKURIYA, Masahiro |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2020 |
| Journal volume | 36 |
| Journal issue | 0 |
| Pages of publication | 33 - 34 |
| a | 10.2053 ± 0.0018 Å |
| b | 33.277 ± 0.006 Å |
| c | 8.8733 ± 0.0015 Å |
| α | 90° |
| β | 113.904 ± 0.003° |
| γ | 90° |
| Cell volume | 2754.9 ± 0.8 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1168 |
| Residual factor for significantly intense reflections | 0.0711 |
| Weighted residual factors for significantly intense reflections | 0.135 |
| Weighted residual factors for all reflections included in the refinement | 0.1487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1559273.cif |
| 258161 | 2020-10-06 | cif/ Adding structures of 1559273 via cif-deposit CGI script. |
1559273.cif |
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Users of the data should acknowledge the original authors of the
structural data.