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Information card for entry 2242169
Preview
| Coordinates | 2242169.cif |
|---|---|
| Structure factors | 2242169.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]\ bis(triphenylphosphane-κ<i>P</i>)silver(I) |
|---|---|
| Formula | C43 H37 Ag Cl N3 O2 P2 S |
| Calculated formula | C43 H37 Ag Cl N3 O2 P2 S |
| SMILES | C(N)(Nc1ccc(cc1)N(=O)=O)=[S][Ag](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of chlorido[1-(4-nitrophenyl)thiourea-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)silver(I) |
| Authors of publication | Nimthong-Roldán, Arunpatcha; Sripa, Paramee; Wattanakanjana, Yupa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 829 - 831 |
| a | 11.8581 ± 0.0002 Å |
| b | 28.5087 ± 0.0004 Å |
| c | 12.0272 ± 0.0002 Å |
| α | 90° |
| β | 104.934 ± 0.0017° |
| γ | 90° |
| Cell volume | 3928.57 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199139 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242169 via cif-deposit CGI script. |
2242169.cif 2242169.hkl |
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Users of the data should acknowledge the original authors of the
structural data.