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Information card for entry 4080924
Preview
| Coordinates | 4080924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H47 Cl3 F12 N6 P2 Rh2 |
|---|---|
| Calculated formula | C33 H47 Cl3 F12 N6 P2 Rh2 |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Rh]12345(n2c(Cn3c[n+](cc3)C)cc(Cn3c[n+](cc3)C)[n]2[Rh]2345([Cl]1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)Cl)Cl)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Pyrazolato-Bridged Dinuclear Complexes of Ruthenium(II) and Rhodium(III) with N-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Electrochemical Properties |
| Authors of publication | Reindl, Stefan A.; Pöthig, Alexander; Drees, Markus; Bechlars, Bettina; Herdtweck, Eberhardt; Herrmann, Wolfgang A.; Kühn, Fritz E. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 15 |
| Pages of publication | 4082 |
| a | 24.8183 ± 0.0012 Å |
| b | 8.8631 ± 0.0004 Å |
| c | 22.7017 ± 0.0011 Å |
| α | 90° |
| β | 114.723 ± 0.002° |
| γ | 90° |
| Cell volume | 4535.9 ± 0.4 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178698 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/09. |
4080924.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4080924.cif |
| 87950 | 2013-08-27 | cif/ Adding structures of 4080921, 4080922, 4080923, 4080924 via cif-deposit CGI script. |
4080924.cif |
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