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Information card for entry 7031331
Preview
| Coordinates | 7031331.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | aqua[2-(pyridin-2-yl-κ<i>N</i>)phenyl-κ<i>C</i>^1^][2,4,6-tris(trifluoromethyl)phenyl]gold(+) trifluoromethanesulfonate(-) |
|---|---|
| Formula | C21 H12 Au F12 N O4 S |
| Calculated formula | C21 H12 Au F12 N O4 S |
| SMILES | c12[Au](c3c(cc(cc3C(F)(F)F)C(F)(F)F)C(F)(F)F)([n]3c(c2cccc1)cccc3)[OH2].C(F)(F)(F)S(=O)(=O)[O-] |
| Title of publication | Luminescent monocyclometalated cationic gold(iii) complexes: synthesis, photophysical characterization and catalytic investigations. |
| Authors of publication | Zehnder, Thomas N.; Blacque, Olivier; Venkatesan, Koushik |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 31 |
| Pages of publication | 11959 - 11972 |
| a | 8.3536 ± 0.0002 Å |
| b | 12.4389 ± 0.0003 Å |
| c | 12.5317 ± 0.0003 Å |
| α | 76.432 ± 0.002° |
| β | 88.908 ± 0.002° |
| γ | 81.078 ± 0.002° |
| Cell volume | 1250.3 ± 0.05 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 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 | 0.0361 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180019 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/13. |
7031331.cif |
| 121667 | 2014-08-08 | cif/ Updating files of 7031331, 7031332, 7031333, 7031334, 7031335, 7031336 Original log message: Adding full bibliography for 7031331--7031336.cif. |
7031331.cif |
| 116494 | 2014-06-13 | cif/ Adding structures of 7031331, 7031332, 7031333, 7031334, 7031335, 7031336 via cif-deposit CGI script. |
7031331.cif |
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