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Information card for entry 2019892
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| Coordinates | 2019892.cif |
|---|---|
| Structure factors | 2019892.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tetrabutylammonium carbamothioyl(carbamothioylamino)azanide |
|---|---|
| Formula | C18 H41 N5 S2 |
| Calculated formula | C18 H41 N5 S2 |
| Title of publication | N—H...S and C—H...S hydrogen bonds in two tetraalkylammonium dithiobiurea(1‒) inclusion compounds |
| Authors of publication | Guo, Hao; Wu, Jinfeng |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| a | 9.4151 ± 0.0001 Å |
| b | 9.6835 ± 0.0001 Å |
| c | 13.4189 ± 0.0001 Å |
| α | 77.679 ± 0.001° |
| β | 89.246 ± 0.001° |
| γ | 77.692 ± 0.001° |
| Cell volume | 1167.1 ± 0.02 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0855 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1553 |
| Weighted residual factors for all reflections included in the refinement | 0.1755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019892.cif 2019892.hkl |
| 180866 | 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 2/01/98. |
2019892.cif 2019892.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019892.cif 2019892.hkl |
| 133792 | 2015-03-11 | cif/ hkl/ Adding structures of 2019891, 2019892 via cif-deposit CGI script. |
2019892.cif 2019892.hkl |
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Users of the data should acknowledge the original authors of the
structural data.