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Information card for entry 4083294
Preview
| Coordinates | 4083294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H26 Cl F3 N4 O3 Ru S |
|---|---|
| Calculated formula | C25 H26 Cl F3 N4 O3 Ru S |
| SMILES | [Ru]123456(Cl)([n]7ccccc7[n+]7nn(c(c8ccccc8)c67)C)[cH]6[cH]3[c]1([cH]2[cH]4[c]56C)C(C)C.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Exploring the Scope of Pyridyl- and Picolyl-Functionalized 1,2,3-Triazol-5-ylidenes in Bidentate Coordination to Ruthenium(II) Cymene Chloride Complexes |
| Authors of publication | Bolje, Aljoša; Hohloch, Stephan; Urankar, Damijana; Pevec, Andrej; Gazvoda, Martin; Sarkar, Biprajit; Košmrlj, Janez |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 10 |
| Pages of publication | 2588 |
| a | 9.191 ± 0.003 Å |
| b | 12.287 ± 0.004 Å |
| c | 13.462 ± 0.004 Å |
| α | 111.574 ± 0.005° |
| β | 100.484 ± 0.006° |
| γ | 101.168 ± 0.006° |
| Cell volume | 1332.5 ± 0.7 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0723 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178721 (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 4/08/32. |
4083294.cif |
| 115872 | 2014-06-05 | cif/ Updating files of 4083294, 4083295, 4083296 Original log message: Adding full bibliography for 4083294--4083296.cif. |
4083294.cif |
| 113811 | 2014-05-15 | cif/ Adding structures of 4083294, 4083295, 4083296 via cif-deposit CGI script. |
4083294.cif |
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Users of the data should acknowledge the original authors of the
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