Information card for entry 7229198
| Formula |
C112 H92 N20 O20 Zn4 |
| Calculated formula |
C100 H64 N16 O16 Zn4 |
| Title of publication |
The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks |
| Authors of publication |
Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2017 |
| a |
18.532 ± 0.002 Å |
| b |
20.3541 ± 0.0015 Å |
| c |
20.561 ± 0.002 Å |
| α |
116.099 ± 0.008° |
| β |
112.218 ± 0.01° |
| γ |
97.506 ± 0.007° |
| Cell volume |
6022.3 ± 1.4 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 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 |
0.2341 |
| Residual factor for significantly intense reflections |
0.1463 |
| Weighted residual factors for significantly intense reflections |
0.3576 |
| Weighted residual factors for all reflections included in the refinement |
0.4158 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.978 |
| 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/7229198.html
