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Information card for entry 2239684
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| Coordinates | 2239684.cif |
|---|---|
| Structure factors | 2239684.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>N</i>-Phenylthiourea-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I) nitrate |
|---|---|
| Formula | C43 H38 Ag N3 O3 P2 S |
| Calculated formula | C43 H38 Ag N3 O3 P2 S |
| SMILES | [Ag]([S]=C(N)Nc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-] |
| Title of publication | (<i>N</i>-Phenylthiourea-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I) nitrate |
| Authors of publication | Mekarat, Sofia; Pakawatchai, Chaveng; Saithong, Saowanit |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | m281 - m282 |
| a | 13.6113 ± 0.0005 Å |
| b | 10.6431 ± 0.0004 Å |
| c | 26.4365 ± 0.001 Å |
| α | 90° |
| β | 96.068 ± 0.001° |
| γ | 90° |
| Cell volume | 3808.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0325 |
| Residual factor for significantly intense reflections | 0.0276 |
| Weighted residual factors for significantly intense reflections | 0.0621 |
| Weighted residual factors for all reflections included in the refinement | 0.0642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239684.cif 2239684.hkl |
| 181315 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/96. |
2239684.cif 2239684.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239684.cif 2239684.hkl |
| 118121 | 2014-06-26 | cif/ hkl/ Adding structures of 2239684 via cif-deposit CGI script. |
2239684.cif 2239684.hkl |
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