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Information card for entry 4338499
Preview
| Coordinates | 4338499.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H21 N2 O6 Ru |
|---|---|
| Calculated formula | C20 H21 N2 O6 Ru |
| SMILES | [Ru]123([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)[n]1c(c2[n]3cccc2[O-])c(O)ccc1 |
| Title of publication | Significant Influence of Coligands Toward Varying Coordination Modes of 2,2'-Bipyridine-3,3'-diol in Ruthenium Complexes. |
| Authors of publication | Ghosh, Prabir; Mondal, Prasenjit; Ray, Ritwika; Das, Ankita; Bag, Sukdev; Mobin, Shaikh M.; Lahiri, Goutam Kumar |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 12 |
| Pages of publication | 6094 - 6106 |
| a | 19.6215 ± 0.0001 Å |
| b | 19.6215 ± 0.0001 Å |
| c | 12.1711 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4685.91 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0209 |
| Residual factor for significantly intense reflections | 0.0208 |
| Weighted residual factors for significantly intense reflections | 0.0578 |
| Weighted residual factors for all reflections included in the refinement | 0.0579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4338499.cif |
| 179487 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/84. |
4338499.cif |
| 119083 | 2014-07-05 | cif/ Updating files of 4338496, 4338497, 4338498, 4338499 Original log message: Adding full bibliography for 4338496--4338499.cif. |
4338499.cif |
| 114377 | 2014-05-24 | cif/ Adding structures of 4338499 via cif-deposit CGI script. |
4338499.cif |
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Users of the data should acknowledge the original authors of the
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