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Information card for entry 7202694
Preview
| Coordinates | 7202694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H46 Au2 N4 O6 P2 S2 |
|---|---|
| Calculated formula | C46 H46 Au2 N4 O6 P2 S2 |
| SMILES | [Au]([P](CCCC[P]([Au]SC(=N\c1ccc(cc1)N(=O)=O)/OCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)S/C(=N\c1ccc(cc1)N(=O)=O)OCC |
| Title of publication | Supramolecular aggregation patterns in the crystal structures of the dinuclear phosphinegold(i) thiolates, [(Ph2P(CH2)4PPh2){AuSC(OR)?NC6H4Y-4}2] for R = Me, Et or iPr and Y = H, NO2 or Me: the influence on intermolecular interactions exerted by R and Y |
| Authors of publication | Ho, Soo Yei; Tiekink, Edward R. T. |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 5 |
| Pages of publication | 368 |
| a | 9.2907 ± 0.0005 Å |
| b | 11.4082 ± 0.0006 Å |
| c | 12.0751 ± 0.0006 Å |
| α | 115.352 ± 0.001° |
| β | 91.155 ± 0.001° |
| γ | 90.652 ± 0.001° |
| Cell volume | 1156.07 ± 0.1 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.063 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180357 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/26. |
7202694.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202694.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202694.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202694.cif |
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Users of the data should acknowledge the original authors of the
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