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Information card for entry 4344702
Preview
| Coordinates | 4344702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H23 N2 O6 Ru |
|---|---|
| Calculated formula | C26 H23 N2 O6 Ru |
| Title of publication | The Electron-Rich {Ru(acac)2} Directed Varying Configuration of the Deprotonated Indigo and Evidence for Its Bidirectional Noninnocence. |
| Authors of publication | Mondal, Prasenjit; Das, Ankita; Lahiri, Goutam Kumar |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 3 |
| Pages of publication | 1208 - 1218 |
| a | 12.324 ± 0.003 Å |
| b | 14.398 ± 0.003 Å |
| c | 15.023 ± 0.002 Å |
| α | 68.238 ± 0.006° |
| β | 75.385 ± 0.007° |
| γ | 89.338 ± 0.009° |
| Cell volume | 2385.6 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0554 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.7107 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. |
4344702.cif |
| 175578 | 2016-02-04 | cif/ Adding structures of 4344702 via cif-deposit CGI script. |
4344702.cif |
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Users of the data should acknowledge the original authors of the
structural data.