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Information card for entry 4339762
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| Coordinates | 4339762.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ru(II)EDBTPDPP Br |
|---|---|
| Chemical name | ethane-1,2-diylbis(thio-2,1-phenylene)diphenylphosine)ruthenium(II)bromide |
| Formula | C60.5 H49.75 Br Cl0.75 P3 Ru S3 |
| Calculated formula | C60.5 H49.75 Br Cl0.75 P3 Ru S3 |
| Title of publication | Carbon-sulfur bond formation via alkene addition to an oxidized ruthenium thiolate. |
| Authors of publication | Grapperhaus, Craig A.; Venna, Kiran B.; Mashuta, Mark S. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 19 |
| Pages of publication | 8044 - 8050 |
| a | 10.2565 ± 0.0009 Å |
| b | 13.2338 ± 0.0012 Å |
| c | 38.325 ± 0.003 Å |
| α | 90° |
| β | 93.396 ± 0.001° |
| γ | 90° |
| Cell volume | 5192.8 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0646 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1164 |
| Weighted residual factors for all reflections included in the refinement | 0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4339762.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 {}' |
4339762.cif |
| 117525 | 2014-06-15 | cif/ Adding structures of 4339762 via cif-deposit CGI script. |
4339762.cif |
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Users of the data should acknowledge the original authors of the
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