Information card for entry 4003107
| Formula |
C66 H18 F N3 Ni3 O15 |
| Calculated formula |
C66 H18 F N3 Ni3 O15 |
| Title of publication |
Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks |
| Authors of publication |
Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario |
| Journal of publication |
Chemistry of Materials |
| Year of publication |
2018 |
| Journal volume |
30 |
| Journal issue |
22 |
| Pages of publication |
8332 |
| a |
32.141 ± 0.002 Å |
| b |
32.141 ± 0.002 Å |
| c |
32.141 ± 0.002 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
33203 ± 4 Å3 |
| Cell temperature |
170 ± 2 K |
| Ambient diffraction temperature |
170 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
217 |
| Hermann-Mauguin space group symbol |
I -4 3 m |
| Hall space group symbol |
I -4 2 3 |
| Residual factor for all reflections |
0.0725 |
| Residual factor for significantly intense reflections |
0.0502 |
| Weighted residual factors for significantly intense reflections |
0.121 |
| Weighted residual factors for all reflections included in the refinement |
0.1304 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/4003107.html
