Information card for entry 2021955
Chemical name |
Poly[[diaqua[μ~4~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalato]nickel(II)] dihydrate] |
Formula |
C12 H14 N6 Ni O8 |
Calculated formula |
C12 H14 N6 Ni O8 |
Title of publication |
Metal-directed supramolecular architectures based on the bifunctional ligand 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalic acid |
Authors of publication |
Cai, Hua; Li, Na; Zhang, Nan; Yang, Zhenyun; Cao, Jing; Lin, Yating; Min, Nan; Wang, Jia |
Journal of publication |
Acta Crystallographica Section C Structural Chemistry |
Year of publication |
2020 |
Journal volume |
76 |
Journal issue |
2 |
a |
7.3533 ± 0.0011 Å |
b |
7.9541 ± 0.0012 Å |
c |
8.1396 ± 0.0012 Å |
α |
65.416 ± 0.002° |
β |
88.89 ± 0.002° |
γ |
69.788 ± 0.002° |
Cell volume |
401.92 ± 0.1 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 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 |
0.0384 |
Residual factor for significantly intense reflections |
0.0325 |
Weighted residual factors for significantly intense reflections |
0.0708 |
Weighted residual factors for all reflections included in the refinement |
0.0735 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.055 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2021955.html