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Information card for entry 4341471
Preview
| Coordinates | 4341471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | em26rd72 But/Hex |
|---|---|
| Formula | C40 H32 Ag2 Au2 F20 S8 |
| Calculated formula | C40 H32 Ag2 Au2 F20 S8 |
| SMILES | [Ag]123([Au](c4c(c(c(c(c4F)F)F)F)F)c4c(F)c(F)c(F)c(c4F)F)[S]4CC[S]1CC[S]2CC[S]3CC[S]1[Ag]23([Au](c5c(c(c(c(c5F)F)F)F)F)c5c(F)c(F)c(F)c(F)c5F)[S](CC1)CC[S]2CC[S]3CC4 |
| 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 | 9.7697 ± 0.0006 Å |
| b | 10.342 ± 0.0006 Å |
| c | 13.2998 ± 0.0008 Å |
| α | 69.799 ± 0.003° |
| β | 80.194 ± 0.003° |
| γ | 72.771 ± 0.003° |
| Cell volume | 1201.06 ± 0.13 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.0375 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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. |
4341471.cif |
| 126684 | 2014-11-10 | cif/ Adding structures of 4341468, 4341469, 4341470, 4341471 via cif-deposit CGI script. |
4341471.cif |
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