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Information card for entry 4341469
Preview
| Coordinates | 4341469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | em49rd83 |
|---|---|
| Formula | C40 H32 Ag2 Au2 Cl20 S8 |
| Calculated formula | C40 H32 Ag2 Au2 Cl20 S8 |
| SMILES | [Ag]12([Au](c3c(Cl)c(Cl)c(c(c3Cl)Cl)Cl)c3c(c(c(c(c3Cl)Cl)Cl)Cl)Cl)[S]3CC[S]4[Ag]5([Au](c6c(c(c(c(c6Cl)Cl)Cl)Cl)Cl)c6c(c(c(c(c6Cl)Cl)Cl)Cl)Cl)[S](CC[S]2CCSCC[S]1CC3)CC[S]5CCSCC4 |
| Title of publication | Influence of crown thioether ligands in the structures and of perhalophenyl groups in the optical properties of complexes with argentoaurophilic interactions. |
| Authors of publication | Blake, Alexander J.; Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 19 |
| Pages of publication | 10471 - 10484 |
| a | 10.5243 ± 0.0008 Å |
| b | 10.6311 ± 0.0007 Å |
| c | 14.3009 ± 0.0011 Å |
| α | 73.651 ± 0.003° |
| β | 85.776 ± 0.003° |
| γ | 71.819 ± 0.004° |
| Cell volume | 1458.53 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0763 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179517 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14. |
4341469.cif |
| 126684 | 2014-11-10 | cif/ Adding structures of 4341468, 4341469, 4341470, 4341471 via cif-deposit CGI script. |
4341469.cif |
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Users of the data should acknowledge the original authors of the
structural data.