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Information card for entry 2241589
Preview
| Coordinates | 2241589.cif |
|---|---|
| Structure factors | 2241589.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis[(acetato-κ<i>O</i>)(imidazolidine-2-thione-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] di-μ-imidazolidine-2-thione-κ^4^<i>S</i>:<i>S</i>-bis[(imidazolidine-2-thione-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] diacetate acetonitrile disolvate tetrahydrate |
|---|---|
| Formula | C138 H152 Ag4 N14 O12 P6 S6 |
| Calculated formula | C138 H152 Ag4 N14 O12 P6 S6 |
| SMILES | C1(NCCN1)=[S]1[Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S](=C2NCCN2)[Ag]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]=C1NCCN1)[S]=C1NCCN1.C1(NCCN1)=[S][Ag](OC(=O)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.[O-]C(=O)C.O.O.[C]1(NCCN1)=[S][Ag](OC(=O)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.O=C([O-])C.O.O |
| Title of publication | Crystal structure of bis[(acetato-κ<i>O</i>)(imidazolidine-2-thione-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] di-μ-imidazolidine-2-thione-κ^4^<i>S</i>:<i>S</i>-bis[(imidazolidine-2-thione-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I)] diacetate acetonitrile disolvate tetrahydrate |
| Authors of publication | Nimthong-Roldán, Arunpatcha; Ratthiwan, Janejira; Lakmas, Sawanya; Wattanakanjana, Yupa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 444 - 447 |
| a | 9.5867 ± 0.0004 Å |
| b | 16.3018 ± 0.0007 Å |
| c | 22.8548 ± 0.001 Å |
| α | 104.179 ± 0.002° |
| β | 94.449 ± 0.002° |
| γ | 91.992 ± 0.002° |
| Cell volume | 3447.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0483 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0859 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.259 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241589.cif 2241589.hkl |
| 177592 | 2016-03-05 | cif/ hkl/ Adding structures of 2241589 via cif-deposit CGI script. |
2241589.cif 2241589.hkl |
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Users of the data should acknowledge the original authors of the
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