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Information card for entry 2225559
Preview
| Coordinates | 2225559.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C29 H47 Au N O P S |
|---|---|
| Calculated formula | C29 H47 Au N O P S |
| SMILES | [Au](SC(=N\c1cc(ccc1)C)/OC(C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1 |
| Title of publication | [(<i>Z</i>)-<i>O</i>-Isopropyl <i>N</i>-(<i>m</i>-tolyl)thiocarbamato-κ<i>S</i>](tricyclohexylphosphine-κ<i>P</i>)gold(I) |
| Authors of publication | Tadbuppa, Primjira P.; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | m421 |
| a | 13.7415 ± 0.0018 Å |
| b | 13.3528 ± 0.0018 Å |
| c | 16.788 ± 0.002 Å |
| α | 90° |
| β | 100.308 ± 0.003° |
| γ | 90° |
| Cell volume | 3030.7 ± 0.7 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176789 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225559.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
2225559.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225559.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225559.cif |
| 1144 | 2010-05-03 | cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition. |
2225559.cif |
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