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Information card for entry 4348015
Preview
| Coordinates | 4348015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H25 B F4 N4 O3 Ru |
|---|---|
| Calculated formula | C35 H25 B F4 N4 O3 Ru |
| SMILES | [Ru]123([O]=C4C(O1)=C(Oc1c4cccc1)c1ccccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[B](F)(F)(F)[F-] |
| Title of publication | Characterization of the Initial Intermediate Formed during Photoinduced Oxygenation of the Ruthenium(II) Bis(bipyridyl)flavonolate Complex. |
| Authors of publication | Han, Xiaozhen; Klausmeyer, Kevin K.; Farmer, Patrick J. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 15 |
| Pages of publication | 7320 - 7322 |
| a | 12.8932 ± 0.0006 Å |
| b | 13.3868 ± 0.0007 Å |
| c | 13.8876 ± 0.0007 Å |
| α | 117.522 ± 0.002° |
| β | 94.824 ± 0.002° |
| γ | 105.152 ± 0.002° |
| Cell volume | 1992.19 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.071 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1664 |
| Weighted residual factors for all reflections included in the refinement | 0.1745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4348015.cif |
| 232641 | 2019-11-23 | cif/ Adding structures of 4348015 via cif-deposit CGI script. |
4348015.cif |
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Users of the data should acknowledge the original authors of the
structural data.