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Information card for entry 2239577
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| Coordinates | 2239577.cif |
|---|---|
| Structure factors | 2239577.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>N</i>,<i>N</i>'-Diethylthiourea-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I) acetate methanol monosolvate |
|---|---|
| Formula | C62 H64 Ag N2 O3 P3 S |
| Calculated formula | C62 H64 Ag N2 O3 P3 S |
| SMILES | [Ag]([S]=C(NCC)NCC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O=C([O-])C.OC |
| Title of publication | (<i>N</i>,<i>N</i>'-Diethylthiourea-κ<i>S</i>)tris(triphenylphosphane-κ<i>P</i>)silver(I) acetate methanol monosolvate |
| Authors of publication | Wattanakanjana, Yupa; Nimthong, Arunpatcha; Kamrod, Chanakan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m216 - m217 |
| a | 12.95 ± 0.003 Å |
| b | 21.903 ± 0.006 Å |
| c | 19.915 ± 0.005 Å |
| α | 90° |
| β | 103.201 ± 0.004° |
| γ | 90° |
| Cell volume | 5499 ± 2 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1066 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239577.cif 2239577.hkl |
| 181314 | 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 2/23/95. |
2239577.cif 2239577.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. |
2239577.cif 2239577.hkl |
| 113954 | 2014-05-18 | cif/ hkl/ Adding structures of 2239577 via cif-deposit CGI script. |
2239577.cif 2239577.hkl |
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Users of the data should acknowledge the original authors of the
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