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Information card for entry 4311948
Preview
| Coordinates | 4311948.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(triphenylphosphoranylidene)ammonium trans-tetrachloro- dimethylsulfoxidetriazoleruthenate(III) |
|---|---|
| Formula | C40 H39 Cl4 N4 O P2 Ru S |
| Calculated formula | C40 H39 Cl4 N4 O P2 Ru S |
| SMILES | [Ru](Cl)(Cl)(Cl)(Cl)([S](=O)(C)C)[n]1cn[nH]c1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Tuning of Redox Potentials for the Design of Ruthenium Anticancer Drugs - an Electrochemical Study of [trans-RuCl4L(DMSO)]- and [trans-RuCl4L2]- Complexes, where L = Imidazole, 1,2,4-Triazole, Indazole |
| Authors of publication | Erwin Reisner; Vladimir B. Arion; M. Fátima C. Guedes da Silva; Roman Lichtenecker; Anna Eichinger; Bernhard K. Keppler; Vadim Yu. Kukushkin; Armando J.L. Pombeiro |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 7083 - 7093 |
| a | 17.029 ± 0.003 Å |
| b | 16.428 ± 0.003 Å |
| c | 14.653 ± 0.003 Å |
| α | 90° |
| β | 103.32 ± 0.03° |
| γ | 90° |
| Cell volume | 3988.9 ± 1.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0331 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0705 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179158 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/19. |
4311948.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311948.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311948.cif |
| 3450 | 2010-11-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4311948 via cif-deposit CGI script. |
4311948.cif |
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