Information card for entry 4122440
Formula |
C4 H2.05 Co O3 |
Calculated formula |
C4 H2.046 Co O3 |
Title of publication |
M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. |
Authors of publication |
Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. |
Journal of publication |
Journal of the American Chemical Society |
Year of publication |
2014 |
Journal volume |
136 |
Journal issue |
34 |
Pages of publication |
12119 |
a |
25.8595 ± 0.001 Å |
b |
25.8595 Å |
c |
6.7766 ± 0.0004 Å |
α |
90° |
β |
90° |
γ |
120° |
Cell volume |
3924.5 ± 0.3 Å3 |
Number of distinct elements |
4 |
Space group number |
160 |
Hermann-Mauguin space group symbol |
R 3 m :H |
Hall space group symbol |
R 3 -2" |
RFsqd |
0.03547 |
Goodness-of-fit parameter for all reflections |
0.99 |
Method of determination |
powder diffraction |
Diffraction radiation probe |
neutron |
Diffraction radiation wavelength |
2.0775 Å |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/4122440.html