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Information card for entry 7064375
Preview
| Coordinates | 7064375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2.9 H1.97 Cu0.05 N0.27 O0.52 |
|---|---|
| Calculated formula | C2.90411 H1.9726 Cu0.0547945 N0.273973 O0.520548 |
| Title of publication | Characterizing the decomposition of CL-20 catalyzed by hydrophobic porphyrin MOFs |
| Authors of publication | Wang, Taihe; Zou, Chengling; Li, Yu; Mu, Yuxin; Wei, Jiale; Chen, Chao; Zhang, Yan; Li, Haijian; Yi, Jianhua; Ma, Haixia; Zhao, Fengqi |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| Journal volume | 50 |
| Journal issue | 17 |
| Pages of publication | 7236 - 7246 |
| a | 17.0826 ± 0.0002 Å |
| b | 18.5694 ± 0.0003 Å |
| c | 19.5561 ± 0.0003 Å |
| α | 104.992 ± 0.001° |
| β | 90.269 ± 0.001° |
| γ | 103.557 ± 0.001° |
| Cell volume | 5811.23 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0887 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1741 |
| Weighted residual factors for all reflections included in the refinement | 0.1943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.