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Information card for entry 4122537
Preview
| Coordinates | 4122537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | hj4187 |
|---|---|
| Formula | C45 H60 Ag F3 N2 O3 Ru S Si |
| Calculated formula | C45 H60 Ag F3 N2 O3 Ru S Si |
| SMILES | C1(N(c2c(C)cccc2C)C=CN1c1c(C)cccc1C)=[Ru]123456([c]7(C)[c]1(C)[c]2(C)[c]3([c]47C)C)[Ag](OS(=O)(=O)C(F)(F)F)[SiH]5(c1c(C(C)C)cc(C(C)C)cc1C(C)C)[H]6 |
| Title of publication | Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf. |
| Authors of publication | Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 32 |
| Pages of publication | 11473 - 11482 |
| a | 11.324 ± 0.005 Å |
| b | 30.125 ± 0.005 Å |
| c | 13.405 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 105.564 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 4405 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.0824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179027 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/25. |
4122537.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4122537.cif |
| 122749 | 2014-09-04 | cif/ Adding structures of 4122537 via cif-deposit CGI script. |
4122537.cif |
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Users of the data should acknowledge the original authors of the
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