Information card for entry 7230579
| Chemical name |
NU1000 |
| Formula |
C88 H44 O32 Zr6 |
| Calculated formula |
C88 H44 O32 Zr6 |
| Title of publication |
Revisiting the structural homogeneity of NU-1000, a Zr-based metal‒organic framework |
| Authors of publication |
Islamoglu, Timur; Otake, Ken-ichi; Li, Peng; Buru, Cassandra T.; Peters, Aaron W.; Akpinar, Isil; Garibay, Sergio J.; Farha, Omar K. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
39 |
| Pages of publication |
5913 |
| a |
39.2679 ± 0.0014 Å |
| b |
39.2679 ± 0.0014 Å |
| c |
16.5666 ± 0.0007 Å |
| α |
90° |
| β |
90° |
| γ |
120° |
| Cell volume |
22122.8 ± 1.5 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
191 |
| Hermann-Mauguin space group symbol |
P 6/m m m |
| Hall space group symbol |
-P 6 2 |
| Residual factor for all reflections |
0.0722 |
| Residual factor for significantly intense reflections |
0.0616 |
| Weighted residual factors for significantly intense reflections |
0.1614 |
| Weighted residual factors for all reflections included in the refinement |
0.1715 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7230579.html
