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Information card for entry 7210208
Preview
| Coordinates | 7210208.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H86 Au6 Cl2 O12 P6 S12 |
|---|---|
| Calculated formula | C67 H86 Au6 Cl2 O12 P6 S12 |
| SMILES | C(Cl)Cl.c1(ccc(cc1)OCC)P12O[C@H]3[C@@H](CCCC3)OP3(c4ccc(cc4)OCC)=[S][Au]SP(=[S][Au]S3)(c3ccc(cc3)OCC)O[C@H]3[C@@H](CCCC3)OP3(c4ccc(cc4)OCC)=[S][Au]SP(=[S][Au]S3)(c3ccc(cc3)OCC)O[C@H]3[C@@H](CCCC3)OP(S[Au][S]=1)(c1ccc(cc1)OCC)=[S][Au]S2.C(Cl)Cl.c1(ccc(cc1)OCC)P12O[C@@H]3[C@H](CCCC3)OP3(c4ccc(cc4)OCC)=[S][Au]SP(=[S][Au]S3)(c3ccc(cc3)OCC)O[C@@H]3[C@H](CCCC3)OP3(c4ccc(cc4)OCC)=[S][Au]SP(=[S][Au]S3)(c3ccc(cc3)OCC)O[C@@H]3[C@H](CCCC3)OP(S[Au][S]=1)(c1ccc(cc1)OCC)=[S][Au]S2 |
| Title of publication | A hexanuclear gold(i) metallatriangle derived from a chiral dithiophosphate: synthesis, structure, luminescence and oxidative bromination reactivity |
| Authors of publication | Pillay, Michael N.; Omondi, Bernard; Staples, Richard J.; van Zyl, Werner E. |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 22 |
| Pages of publication | 4417 |
| a | 26.7928 ± 0.0018 Å |
| b | 26.7928 ± 0.0018 Å |
| c | 54.09 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 38829 ± 5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180433 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/02. |
7210208.cif |
| 87061 | 2013-07-13 | cif/ Adding structures of 7210207, 7210208 via cif-deposit CGI script. |
7210208.cif |
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Users of the data should acknowledge the original authors of the
structural data.