Information card for entry 1567975
Formula |
C8 H14 Br Cu2 N3 |
Calculated formula |
C8 H14 Br Cu2 N3 |
Title of publication |
Rational regulation of acetylene adsorption and separation for ultra-microporous copper-1,2,4-triazolate frameworks by halogen hydrogen bonds |
Authors of publication |
Li, Haipeng; Dou, Zhao-Di; Xiao, Yi; Fan, Guan-Jiang; Pan, Dong-Chen; Hu, Mancheng; Zhai, Quan-Guo |
Journal of publication |
Nanoscale |
Year of publication |
2022 |
a |
16.5753 ± 0.0017 Å |
b |
16.5753 ± 0.0017 Å |
c |
19.196 ± 0.0018 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
5273.9 ± 0.9 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298.15 K |
Number of distinct elements |
5 |
Space group number |
88 |
Hermann-Mauguin space group symbol |
I 41/a :2 |
Hall space group symbol |
-I 4ad |
Residual factor for all reflections |
0.0752 |
Residual factor for significantly intense reflections |
0.0349 |
Weighted residual factors for significantly intense reflections |
0.0777 |
Weighted residual factors for all reflections included in the refinement |
0.0984 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/1567975.html