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Information card for entry 7707424
Preview
| Coordinates | 7707424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Chloro- (η^5^-pentamethylcyclopentadienyl)(4,4'-dimethyl-2,2'-bipyridine )- rhodium(III)- trifluoromethanesulfonate' |
|---|---|
| Formula | C23 H27 Cl F3 N2 O3 Rh S |
| Calculated formula | C23 H27 Cl F3 N2 O3 Rh S |
| SMILES | [Rh]12345(Cl)([n]6ccc(cc6c6[n]1ccc(c6)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Half-sandwich organometallic Ru and Rh complexes of (N,N) donor compounds: effect of ligand methylation on solution speciation and anticancer activity. |
| Authors of publication | Mészáros, János P; Pape, Veronika F. S.; Szakács, Gergely; Németi, Gábor; Dénes, Márk; Holczbauer, Tamás; May, Nóra V; Enyedy, Éva A |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 23 |
| Pages of publication | 8218 - 8231 |
| a | 16.1575 ± 0.0003 Å |
| b | 22.6823 ± 0.0004 Å |
| c | 13.9296 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5105.05 ± 0.17 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.381 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267188 (current) | 2021-07-05 | cif/ Updating files of 7707424, 7707425, 7707426, 7707427, 7707428, 7707429 Original log message: Adding full bibliography for 7707424--7707429.cif. |
7707424.cif |
| 265326 | 2021-05-19 | cif/ Adding structures of 7707424, 7707425, 7707426, 7707427, 7707428, 7707429 via cif-deposit CGI script. |
7707424.cif |
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