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Information card for entry 4067355
Preview
| Coordinates | 4067355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H12 Cl F6 N4 O P Pt S |
|---|---|
| Calculated formula | C10 H12 Cl F6 N4 O P Pt S |
| SMILES | [Pt]1([n]2c(c3[n]1cccn3)nccc2)([S](=O)(C)C)Cl.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Platinum(II) Complexes Containing Quaternized Nitrogen Ligands: Synthesis, Stability, and Evaluation as Catalysts for Methane and Benzene H/D Exchange |
| Authors of publication | Villalobos, Janette M.; Hickman, Amanda J.; Sanford, Melanie S. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 1 |
| Pages of publication | 257 |
| a | 9.2567 ± 0.0012 Å |
| b | 9.6582 ± 0.0012 Å |
| c | 10.1176 ± 0.0013 Å |
| α | 89.924 ± 0.002° |
| β | 73.19 ± 0.002° |
| γ | 76.363 ± 0.002° |
| Cell volume | 839.31 ± 0.19 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0387 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.1034 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178564 (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 4/06/73. |
4067355.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067355.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067355.cif |
| 34169 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067355 via cif-deposit CGI script. |
4067355.cif |
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Users of the data should acknowledge the original authors of the
structural data.