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Information card for entry 2239020
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| Coordinates | 2239020.cif |
|---|---|
| Structure factors | 2239020.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1<i>H</i>-1,2,4-Triazole-5(4<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)(nitrato-κ<i>O</i>)silver(I) methanol monosolvate |
|---|---|
| Formula | C39 H37 Ag N4 O4 P2 S |
| Calculated formula | C39 H37 Ag N4 O4 P2 S |
| SMILES | [Ag]([S]=C1NC=NN1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)ON(=O)=O.OC |
| Title of publication | [1<i>H</i>-1,2,4-Triazole-5(4<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)(nitrato-κ<i>O</i>)silver(I) methanol monosolvate |
| Authors of publication | Wattanakanjana, Yupa; Palamae, Sureeporn; Ratthiwan, Jenejira; Nimthong, Ruthairat |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | m61 - m62 |
| a | 13.2712 ± 0.0014 Å |
| b | 14.3999 ± 0.0015 Å |
| c | 20.198 ± 0.002 Å |
| α | 90° |
| β | 107.934 ± 0.002° |
| γ | 90° |
| Cell volume | 3672.4 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239020.cif 2239020.hkl |
| 181309 | 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 2/23/90. |
2239020.cif 2239020.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. |
2239020.cif 2239020.hkl |
| 104852 | 2014-03-11 | cif/ hkl/ Adding structures of 2239020 via cif-deposit CGI script. |
2239020.cif 2239020.hkl |
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