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Information card for entry 1548798
Preview
| Coordinates | 1548798.cif |
|---|---|
| Structure factors | 1548798.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone) |
|---|---|
| Formula | C22 H29 Br N4 Se2 |
| Calculated formula | C22 H29 Br N4 Se2 |
| Title of publication | 3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone) |
| Authors of publication | Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 12 |
| Pages of publication | x171746 |
| a | 23.767 ± 0.003 Å |
| b | 5.1425 ± 0.0003 Å |
| c | 39.806 ± 0.01 Å |
| α | 90° |
| β | 102.61 ± 0.02° |
| γ | 90° |
| Cell volume | 4747.8 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1324 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205743 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 1548798 via cif-deposit CGI script. |
1548798.cif 1548798.hkl |
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