Information card for entry 1517477
| Formula |
C5.5 H Co O6.01 |
| Calculated formula |
C5.503 H Co O6.006 |
| Title of publication |
Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) |
| Authors of publication |
Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. |
| Journal of publication |
Chem. Sci. |
| Year of publication |
2014 |
| Journal volume |
5 |
| Journal issue |
12 |
| Pages of publication |
4569 |
| a |
25.8735 ± 0.0012 Å |
| b |
25.8735 Å |
| c |
6.8486 ± 0.0004 Å |
| α |
90° |
| β |
90° |
| γ |
120° |
| Cell volume |
3970.5 ± 0.3 Å3 |
| Cell temperature |
10 K |
| Ambient diffraction temperature |
10 K |
| Number of distinct elements |
4 |
| Space group number |
148 |
| Hermann-Mauguin space group symbol |
R -3 :H |
| Hall space group symbol |
-R 3 |
| RFsqd |
0.09834 |
| Goodness-of-fit parameter for all reflections |
0.99 |
| Method of determination |
powder diffraction |
| Diffraction radiation probe |
neutron |
| Diffraction radiation wavelength |
2.0785 Å |
| Diffraction radiation type |
neutron |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1517477.html
