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Information card for entry 4067709
Preview
| Coordinates | 4067709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H19 Cl3 F N O Pt S |
|---|---|
| Calculated formula | C16 H19 Cl3 F N O Pt S |
| SMILES | [Pt]1(Cl)(Cl)(Cl)([n]2c(cccc2c2c1cc(F)cc2)CCC)[O]=S(C)C |
| Title of publication | Platinum(IV) DMSO Complexes: Synthesis, Isomerization, and Agostic Intermediates |
| Authors of publication | Crosby, Sarah H.; Clarkson, Guy J.; Deeth, Robert J.; Rourke, Jonathan P. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 8 |
| Pages of publication | 1966 |
| a | 8.6007 ± 0.0003 Å |
| b | 14.1997 ± 0.0005 Å |
| c | 16.4235 ± 0.0006 Å |
| α | 105.974 ± 0.003° |
| β | 96.165 ± 0.003° |
| γ | 95.714 ± 0.003° |
| Cell volume | 1899.59 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0302 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0519 |
| Weighted residual factors for all reflections included in the refinement | 0.0527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4067709.cif |
| 178568 | 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 4/06/77. |
4067709.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067709.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067709.cif |
| 34274 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067707, 4067708, 4067709, 4067710 via cif-deposit CGI script. |
4067709.cif |
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Users of the data should acknowledge the original authors of the
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