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Information card for entry 4332326
Preview
| Coordinates | 4332326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H32 I6 N6 O4 Ru |
|---|---|
| Calculated formula | C36 H32 I6 N6 O4 Ru |
| SMILES | [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccc(cc1c1[n]3ccc(c1)C(=O)OCC)C(=O)OCC.I[I-]I.I[I-]I |
| Title of publication | Triiodide Quenching of Ruthenium MLCT Excited State in Solution and on TiO2Surfaces: An Alternate Pathway for Charge Recombination |
| Authors of publication | Clark, Christopher C.; Marton, Andras; Srinivasan, Ramya; Narducci Sarjeant, Amy A.; Meyer, Gerald J. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 12 |
| Pages of publication | 4728 - 4734 |
| a | 11.132 ± 0.002 Å |
| b | 12.4849 ± 0.0019 Å |
| c | 16.0516 ± 0.0019 Å |
| α | 89.967 ± 0.011° |
| β | 84.388 ± 0.012° |
| γ | 84.775 ± 0.014° |
| Cell volume | 2210.9 ± 0.6 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1037 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.1659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4332326.cif |
| 179426 | 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 4/33/23. |
4332326.cif |
| 98238 | 2014-01-29 | cif/ Adding structures of 4332326 via cif-deposit CGI script. |
4332326.cif |
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Users of the data should acknowledge the original authors of the
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