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Information card for entry 8104742
Preview
| Coordinates | 8104742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H18 N8 O4 S2 |
|---|---|
| Calculated formula | C12 H18 N8 O4 S2 |
| Title of publication | Crystal structure of bis(amino(thioureido)methaniminium) terephthalate, C12H18N8O4S2 |
| Authors of publication | Hou, Yimin; Zhang, Zhongyun; Zhu, Xin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 879 - 880 |
| a | 13.378 ± 0.004 Å |
| b | 5.0129 ± 0.0014 Å |
| c | 13.396 ± 0.004 Å |
| α | 90° |
| β | 96.118 ± 0.004° |
| γ | 90° |
| Cell volume | 893.3 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0901 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.808 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273653 (current) | 2022-03-11 | cif/ Adding structures of 8104742 via cif-deposit CGI script. |
8104742.cif |
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Users of the data should acknowledge the original authors of the
structural data.