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Information card for entry 4074939
Preview
| Coordinates | 4074939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H58 F6 O8 P4 Pt2 S2 |
|---|---|
| Calculated formula | C46 H58 F6 O8 P4 Pt2 S2 |
| SMILES | C[P](C)(c1ccccc1)[Pt]2([OH][Pt]([P](C)(C)c1ccccc1)([OH]2)[P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-].c1ccccc1 |
| Title of publication | Reaction Mechanism of Transmetalation between Tetraorganostannanes and Platinum(II) Aryltriflate Complexes. Mechanistic Model for Stille Couplings |
| Authors of publication | Nilsson, Patrik; Puxty, Graeme; Wendt, Ola F. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 5 |
| Pages of publication | 1285 - 1292 |
| a | 25.078 ± 0.005 Å |
| b | 13.604 ± 0.003 Å |
| c | 18.511 ± 0.004 Å |
| α | 90° |
| β | 110.12 ± 0.03° |
| γ | 90° |
| Cell volume | 5930 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.167 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4074939.cif |
| 209913 | 2018-08-18 | cif/4/ Updating bibliography in entries 4060941, 4074939. Marking entry 4060941 as a duplicate of entry 4074939. |
4074939.cif |
| 178638 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/49. |
4074939.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074939.cif |
| 48977 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074939 via cif-deposit CGI script. |
4074939.cif |
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