Information card for entry 7064375
| 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 |
| 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 |
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https://www.crystallography.net/7064375.html
