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Information card for entry 7054526
Preview
| Coordinates | 7054526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Pt(p-SC6F4CF3)(triphos)][OTf] |
|---|---|
| Chemical name | Platinum-triphos-SC7F7 Triflate |
| Formula | C42 H33 F10 O3 P3 Pt S2 |
| Calculated formula | C42 H33 F10 O3 P3 Pt S2 |
| SMILES | [Pt]12(Sc3c(F)c(F)c(c(F)c3F)C(F)(F)F)[P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | cis and trans influences on [Pt(SRF)(triphos)]+complexes (SRF= polyfluorobenzothiolate) |
| Authors of publication | Cervantes, Ruy; Tiburcio, Jorge; Torrens, Hugo |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 1 |
| Pages of publication | 631 |
| a | 11.1223 ± 0.0004 Å |
| b | 13.6579 ± 0.0006 Å |
| c | 16.7386 ± 0.0007 Å |
| α | 67.229 ± 0.003° |
| β | 81.64 ± 0.002° |
| γ | 71.075 ± 0.002° |
| Cell volume | 2217.22 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1128 |
| Residual factor for significantly intense reflections | 0.0866 |
| Weighted residual factors for significantly intense reflections | 0.2318 |
| Weighted residual factors for all reflections included in the refinement | 0.2972 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.335 |
| 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 |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7054526.cif |
| 131116 | 2015-02-04 | cif/ Updating files of 7054526, 7054527, 7054528 Original log message: Adding full bibliography for 7054526--7054528.cif. |
7054526.cif |
| 126194 | 2014-11-04 | cif/ Adding structures of 7054526, 7054527, 7054528 via cif-deposit CGI script. |
7054526.cif |
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Users of the data should acknowledge the original authors of the
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