Information card for entry 7229194
Formula |
C47 H39 N9 O9 Zn2 |
Calculated formula |
C45.5 H35.5 N8.5 O8.5 Zn2 |
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 |
10.04 ± 0.006 Å |
b |
29.598 ± 0.017 Å |
c |
17.153 ± 0.011 Å |
α |
90° |
β |
102.762 ± 0.005° |
γ |
90° |
Cell volume |
4971 ± 5 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0831 |
Residual factor for significantly intense reflections |
0.074 |
Weighted residual factors for significantly intense reflections |
0.1986 |
Weighted residual factors for all reflections included in the refinement |
0.2075 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.061 |
Diffraction radiation wavelength |
0.6889 Å |
Diffraction radiation type |
Synchrotron |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7229194.html