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Information card for entry 2241729
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| Coordinates | 2241729.cif |
|---|---|
| Structure factors | 2241729.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Benzenecarbothioamide-κ<i>S</i>)bromidobis(triphenylphosphane-κ<i>P</i>)silver(I) |
|---|---|
| Formula | C43 H37 Ag Br N P2 S |
| Calculated formula | C43 H37 Ag Br N P2 S |
| SMILES | [Ag](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]=C(N)c1ccccc1 |
| Title of publication | Crystal structure and Hirshfeld-surface analysis of (benzenecarbothioamide-κ<i>S</i>)bromidobis(triphenylphosphane-κ<i>P</i>)silver(I) |
| Authors of publication | Ruangwut, Wattana; Saithong, Saowanit; Pakawatchai, Chaveng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 7 |
| Pages of publication | 984 - 987 |
| a | 14.4354 ± 0.0005 Å |
| b | 14.1925 ± 0.0005 Å |
| c | 19.1682 ± 0.0006 Å |
| α | 90° |
| β | 98.786 ± 0.001° |
| γ | 90° |
| Cell volume | 3881 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183841 (current) | 2016-06-23 | cif/ hkl/ Adding structures of 2241729 via cif-deposit CGI script. |
2241729.cif 2241729.hkl |
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Users of the data should acknowledge the original authors of the
structural data.