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Information card for entry 4118192
Preview
| Coordinates | 4118192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H56 O4 Si2 |
|---|---|
| Calculated formula | C35 H56 O4 Si2 |
| SMILES | [Si](C(C)C)(C(C)C)(C(C)C)C#CC(=C\1CC(C/C1=C\C#C[Si](C(C)C)(C(C)C)C(C)C)(C(=O)OC)C(=O)OC)\C=C |
| Title of publication | Nonmetathetic Activity of Ruthenium Alkylidene Complexes: 1,4-Hydrovinylative Cyclization of Multiynes with Ethylene |
| Authors of publication | Sang Young Yun; Kung-Pern Wang; Mansuk Kim; Daesung Lee |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2012 |
| Journal volume | 134 |
| Pages of publication | 10783 - 10786 |
| a | 8.1624 ± 0.0013 Å |
| b | 13.199 ± 0.002 Å |
| c | 17.708 ± 0.003 Å |
| α | 108.26 ± 0.002° |
| β | 92.017 ± 0.002° |
| γ | 93.497 ± 0.002° |
| Cell volume | 1805.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0543 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.781 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4118192.cif |
| 178952 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/81. |
4118192.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 {}' |
4118192.cif |
| 75713 | 2013-03-12 | cif/ Adding structures of 4118192 via cif-deposit CGI script. |
4118192.cif |
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Users of the data should acknowledge the original authors of the
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