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Information card for entry 1515359
Preview
| Coordinates | 1515359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H20 Ru S |
|---|---|
| Calculated formula | C12 H20 Ru S |
| SMILES | [Ru]123456([S](CCC[c]76[cH]1[cH]2[cH]3[cH]4[cH]57)C)(C)C |
| Title of publication | Direct observation of a cationic ruthenium complex for ethylene insertion polymerization |
| Authors of publication | Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin |
| Journal of publication | Chemical Science |
| Year of publication | 2013 |
| Journal volume | 4 |
| Journal issue | 7 |
| Pages of publication | 2902 |
| a | 6.8375 ± 0.0003 Å |
| b | 13.5463 ± 0.0005 Å |
| c | 12.8712 ± 0.0005 Å |
| α | 90° |
| β | 93.878 ± 0.0004° |
| γ | 90° |
| Cell volume | 1189.44 ± 0.08 Å3 |
| Cell temperature | 88 ± 2 K |
| Ambient diffraction temperature | 88 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0179 |
| Residual factor for significantly intense reflections | 0.0171 |
| Weighted residual factors for significantly intense reflections | 0.0418 |
| Weighted residual factors for all reflections included in the refinement | 0.0422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1515359.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515359.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 {}' |
1515359.cif |
| 111328 | 2014-04-21 | cif/ Adding structures of 1515358, 1515359 via cif-deposit CGI script. |
1515359.cif |
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Users of the data should acknowledge the original authors of the
structural data.