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Information card for entry 4069898
Preview
| Coordinates | 4069898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H27 Co O2 P2 S |
|---|---|
| Calculated formula | C14 H27 Co O2 P2 S |
| SMILES | [Co](S/C=C(C(=C)C)\C)([P](C)(C)C)([P](C)(C)C)(C#[O])C#[O] |
| Title of publication | Synthesis, Structure, Spectroscopy, and Reactivity of Thiapentadienyl-Cobalt-Phosphine Complexes(1) |
| Authors of publication | Bleeke, John R.; Lutes, Bryn L.; Rath, Nigam P. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 15 |
| Pages of publication | 4577 |
| a | 13.6591 ± 0.0011 Å |
| b | 11.6484 ± 0.0009 Å |
| c | 13.3723 ± 0.001 Å |
| α | 90° |
| β | 115.651 ± 0.003° |
| γ | 90° |
| Cell volume | 1917.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.035 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.0629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178587 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/98. |
4069898.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 {}' |
4069898.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069898.cif |
| 40502 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069895, 4069896, 4069897, 4069898 via cif-deposit CGI script. |
4069898.cif |
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Users of the data should acknowledge the original authors of the
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