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Information card for entry 4067663
Preview
| Coordinates | 4067663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H4 F20 Os S4 |
|---|---|
| Calculated formula | C30 H4 F20 Os S4 |
| SMILES | [Os]1([S](c2c(S1)c(F)c(F)c(F)c2F)c1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)c1ccc(F)cc1 |
| Title of publication | Carbon−Fluorine Bond Activation in Thermolysis Reactions of the Osmium(IV) Perfluorothiolate Compounds [Os(SC6F5)4(P(C6H4X-4)3)] (X = CF3, Cl, F, H, CH3, and OCH3) |
| Authors of publication | Mendoza, Consuelo; Bernès, Sylvain; Torrens, Hugo; Arroyo, Maribel |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 12 |
| Pages of publication | 2646 |
| a | 10.754 ± 0.0012 Å |
| b | 12.3279 ± 0.0011 Å |
| c | 13.1539 ± 0.0013 Å |
| α | 73.671 ± 0.007° |
| β | 80.942 ± 0.009° |
| γ | 83.05 ± 0.01° |
| Cell volume | 1647.2 ± 0.3 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Cell measurement pressure | 101 ± 2 kPa |
| Ambient diffracton pressure | 101 ± 2 kPa |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.1969 |
| Weighted residual factors for all reflections included in the refinement | 0.205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178567 (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 4/06/76. |
4067663.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067663.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067663.cif |
| 34259 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067660, 4067661, 4067662, 4067663, 4067664, 4067665, 4067666, 4067667, 4067668 via cif-deposit CGI script. |
4067663.cif |
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Users of the data should acknowledge the original authors of the
structural data.