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Information card for entry 4083044
Preview
| Coordinates | 4083044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H39 Cl2 O6 P Ru S2 |
|---|---|
| Calculated formula | C29 H39 Cl2 O6 P Ru S2 |
| SMILES | [Ru]1234567([P](c8c(S(=O)(=O)O1)ccc(c8)C)(c1c(S(=O)(=O)O2)ccc(c1)C)C(C)(C)C)C[C]3(=[CH]4CC[CH]5=[C]6(C7)C)C.C(Cl)Cl |
| Title of publication | Ruthenium(IV) Complexes for Ethylene Insertion Polymerization |
| Authors of publication | Friedberger, Tobias; Ziller, Joseph W.; Guan, Zhibin |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 8 |
| Pages of publication | 1913 |
| a | 14.7647 ± 0.0009 Å |
| b | 13.6816 ± 0.0008 Å |
| c | 16.0357 ± 0.001 Å |
| α | 90° |
| β | 106.591 ± 0.0007° |
| γ | 90° |
| Cell volume | 3104.4 ± 0.3 Å3 |
| Cell temperature | 83 ± 2 K |
| Ambient diffraction temperature | 83 ± 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 | 0.0443 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178719 (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 4/08/30. |
4083044.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 {}' |
4083044.cif |
| 112796 | 2014-05-04 | cif/ Updating files of 4083043, 4083044, 4083045 Original log message: Adding full bibliography for 4083043--4083045.cif. |
4083044.cif |
| 109608 | 2014-04-17 | cif/ Adding structures of 4083043, 4083044, 4083045 via cif-deposit CGI script. |
4083044.cif |
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Users of the data should acknowledge the original authors of the
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