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Information card for entry 7249663
Preview
| Coordinates | 7249663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Phpm |
|---|---|
| Chemical name | TAC-HMTA |
| Formula | C18 H30 N14 S6 |
| Calculated formula | C18 H30 N14 S6 |
| Title of publication | Two Stacking Types of Three–Dimensional Structure Cocrystals Based on Multiple Hydrogen Bonds |
| Authors of publication | Yan, Wenjin; Wang, Tianwei; Zhang, Shufen; Lu, Rongwen; Hu, Yingxin; Chen, longming; Pang, Chaoran; Wang, Peng |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| a | 9.6534 ± 0.0018 Å |
| b | 9.6534 ± 0.0018 Å |
| c | 16.438 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1326.6 ± 0.5 Å3 |
| Cell temperature | 120.15 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 4 |
| Space group number | 186 |
| Hermann-Mauguin space group symbol | P 63 m c |
| Hall space group symbol | P 6c -2c |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1058 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296220 (current) | 2024-12-05 | cif/ Adding structures of 7249663 via cif-deposit CGI script. |
7249663.cif |
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