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Information card for entry 8107321
Preview
| Coordinates | 8107321.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H24 Br2 N4 S2 |
|---|---|
| Calculated formula | C14 H24 Br2 N4 S2 |
| Title of publication | The crystal structure of 2,2′-(1,2-phenylenebis(methylene))bis(1,3-dimethylisothiouronium) bromide, C14H24Br2N4S2 |
| Authors of publication | Eigner, Václav |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 6 |
| Pages of publication | 1155 - 1157 |
| a | 8.1005 ± 0.0002 Å |
| b | 9.8627 ± 0.0003 Å |
| c | 12.5984 ± 0.0003 Å |
| α | 78.038 ± 0.002° |
| β | 84.829 ± 0.0019° |
| γ | 73.203 ± 0.002° |
| Cell volume | 942.16 ± 0.04 Å3 |
| Cell temperature | 95 ± 0.2 K |
| Ambient diffraction temperature | 95 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0173 |
| Residual factor for significantly intense reflections | 0.0162 |
| Weighted residual factors for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.0486 |
| Goodness-of-fit parameter for significantly intense reflections | 1.4522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.4433 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284413 (current) | 2023-06-08 | cif/ Adding structures of 8107321 via cif-deposit CGI script. |
8107321.cif |
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Users of the data should acknowledge the original authors of the
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