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Information card for entry 4123496
Preview
| Coordinates | 4123496.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C158 H136 Au18 Cl4 F12 P14 S8 |
|---|---|
| Calculated formula | C158 H136 Au18 Cl4 F12 P14 S8 |
| SMILES | c1(ccccc1)[P]1(c2ccccc2)[Au][S]2[Au][P](c3ccccc3)(c3ccccc3)/C=C/[P]([Au]3[Au]4[S]5[Au][P](/C=C/[P]([Au][S]6[Au][P](/C=C/[P]([Au][S]7[Au][P](c8ccccc8)(c8ccccc8)/C=C/[P]([Au]5[Au]5[S]8[Au]4[Au]46[Au]([P](/C=C/1)(c1ccccc1)c1ccccc1)[S]1[Au][P](/C=C/[P]([Au]([S]35)[Au]7([S]42)[Au]81)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl |
| Title of publication | Photoinduced isomerization-driven structural transformation between decanuclear and octadecanuclear gold(i) sulfido clusters. |
| Authors of publication | Yao, Liao-Yuan; Yam, Vivian Wing-Wah |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 10 |
| Pages of publication | 3506 - 3509 |
| a | 32.9628 ± 0.0007 Å |
| b | 32.7442 ± 0.0005 Å |
| c | 20.4118 ± 0.0004 Å |
| α | 90° |
| β | 109.837 ± 0.002° |
| γ | 90° |
| Cell volume | 20724 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0969 |
| Residual factor for significantly intense reflections | 0.083 |
| Weighted residual factors for significantly intense reflections | 0.2314 |
| Weighted residual factors for all reflections included in the refinement | 0.2471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179036 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/34. |
4123496.cif |
| 134801 | 2015-04-04 | cif/ Updating files of 4123496 Original log message: Adding full bibliography for 4123496.cif. |
4123496.cif |
| 133163 | 2015-03-06 | cif/ Adding structures of 4123496 via cif-deposit CGI script. |
4123496.cif |
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Users of the data should acknowledge the original authors of the
structural data.