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Information card for entry 7134970
Preview
| Coordinates | 7134970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H17 Cl N6 O4 |
|---|---|
| Calculated formula | C6 H17 Cl N6 O4 |
| Title of publication | [C(NH2)3]2[C2H5(C2O4)]Cl: Rational Design of a Metal-Free UV Birefringent Crystal Through the Synergistic Assembly of Three Distinct Motifs |
| Authors of publication | Pan, Yu-Ming; An, Xin-You; Fang, Zhi |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 10.4474 ± 0.0005 Å |
| b | 10.2793 ± 0.0005 Å |
| c | 12.6679 ± 0.0006 Å |
| α | 90° |
| β | 100.902 ± 0.002° |
| γ | 90° |
| Cell volume | 1335.88 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 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 | 0.0875 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302072 (current) | 2025-09-10 | cif/ Adding structures of 7134970 via cif-deposit CGI script. |
7134970.cif |
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Users of the data should acknowledge the original authors of the
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