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Information card for entry 2240168
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| Coordinates | 2240168.cif |
|---|---|
| Structure factors | 2240168.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1,3-Dicyclohexyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium-2-carbodithioate chloroform monosolvate |
|---|---|
| Formula | C19 H29 Cl3 N2 S2 |
| Calculated formula | C19 H29 Cl3 N2 S2 |
| Title of publication | Crystal structure of 1,3-dicyclohexyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium-2-carbodithioate chloroform monosolvate |
| Authors of publication | Mallah, Eyad; Sweidan, Kamal; Abu Dayyih, Wael; Steimann, Manfred; Sunjuk, Mahmoud |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | o1227 - o1228 |
| a | 8.48 ± 0.0017 Å |
| b | 16.227 ± 0.003 Å |
| c | 17.263 ± 0.004 Å |
| α | 90° |
| β | 98.78 ± 0.03° |
| γ | 90° |
| Cell volume | 2347.6 ± 0.9 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0979 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240168.cif 2240168.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240168.cif 2240168.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240168.cif 2240168.hkl |
| 126286 | 2014-11-06 | cif/ hkl/ Adding structures of 2240168 via cif-deposit CGI script. |
2240168.cif 2240168.hkl |
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