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Information card for entry 2019739
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| Coordinates | 2019739.cif |
|---|---|
| Structure factors | 2019739.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>O</i>,<i>O</i>'-Diethyl (2-phenylhydrazin-1-yl)thiophosphonate |
|---|---|
| Formula | C10 H17 N2 O2 P S |
| Calculated formula | C10 H17 N2 O2 P S |
| Title of publication | Two new thiophosphoramide structures: <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphorothioic triamide and <i>O</i>,<i>O</i>'-diethyl (2-phenylhydrazin-1-yl)thiophosphonate |
| Authors of publication | Pourayoubi, Mehrdad; Abrishami, Mozhgan; Eigner, Václav; Nečas, Marek; Dušek, Michal; Delavar, Mahmoud |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| a | 9.938 ± 0.001 Å |
| b | 16.3798 ± 0.001 Å |
| c | 8.4156 ± 0.0006 Å |
| α | 90° |
| β | 104.553 ± 0.011° |
| γ | 90° |
| Cell volume | 1325.96 ± 0.19 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| 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 | 0.0399 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.78 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019739.cif 2019739.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019739.cif 2019739.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2019739.cif 2019739.hkl |
| 127493 | 2014-11-19 | cif/ hkl/ Adding structures of 2019738, 2019739 via cif-deposit CGI script. |
2019739.cif 2019739.hkl |
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