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Information card for entry 7111362
Preview
| Coordinates | 7111362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H14 F36 P2 Pt2 S4 |
|---|---|
| Calculated formula | C60 H14 F36 P2 Pt2 S4 |
| SMILES | c1(ccccc1)[P](c1c(c(F)c(c(c1F)F)F)F)([Pt]1(Sc2c(c(cc(c2F)F)F)F)[S](c2c(c(F)cc(c2F)F)F)[Pt]([S]1c1c(c(cc(c1F)F)F)F)([P](c1ccccc1)(c1c(c(F)c(c(c1F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)Sc1c(c(cc(c1F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | Conversion of [Pt(SRf)2(PPh2 ? n(C6F5)n + 1)2] ( n = 0 or 1, Rf?C6HF4-4) through carbon?fluorine bond activation to [Pt(SRf)2(1,2-C6F4(SRf)-(PPh2))] and chiral [Pt(SRf)2(1,2-C6F4(SRf)(PPh(C6F5)))]Electronic Supplementary Information (ESI) available: experimental procedures and spectral data for all new compounds and crystallographic data for 5, 8 and 10. http://www.rsc.org/suppdata/cc/b4/b407328b/ |
| Authors of publication | Villanueva, Luis; Arroyo, Maribel; Bern�s, Sylvain; Torrens, Hugo |
| Journal of publication | Chemical Communications |
| Year of publication | 2004 |
| Journal issue | 17 |
| Pages of publication | 1942 - 1943 |
| a | 25.675 ± 0.002 Å |
| b | 25.675 ± 0.002 Å |
| c | 19.115 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10912.5 ± 1.7 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.118 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1255 |
| Weighted residual factors for all reflections included in the refinement | 0.1528 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| 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 |
|---|---|---|---|
| 180227 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/13. |
7111362.cif |
| 96458 | 2014-01-29 | cif/ Adding structures of 7111362, 7111363, 7111364 via cif-deposit CGI script. |
7111362.cif |
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Users of the data should acknowledge the original authors of the
structural data.