View Structure: COD 7106668 (NOTT-401)

Number of topological features per unit cell.
AtomsPortalsChannelsCages JunctionsConnections
320152 8566424
Pore size distribution.
% Pore Volume in Features Total Pore Volume
Channel Diameter (Å) Cage Diameter (Å)  
cm3
g
% of Total
Volume
< 44–6> 6 < 66–8> 8 
3  40 57  0.36139
Accessible volume and surface area as a function of molecule size.
Volume (cm3/g) Surface Area (m2/g)
Characteristic Molecule Diam. (Å)  Characteristic Molecule Diam. (Å)
2468  2468
0.2790.279  10801080
Pore characterization quantities.
Largest Cavity
Diameter (Å)
Pore Limiting
Diameter (Å)
7.64.1
Unit cell parameters.
Space
Group
  Cell Lengths (Å) Cell Angles (deg.)
 abc αβγ
141 22.6122.6112.47  90.090.090.0
International Tables for Crystallography A (2006).

Citation: Ibarra, I. A.; Yang, S.; Lin, X.; Blake, A. J.; Rizkallah, P. J.; Nowell, H.; Allan, D. R.; Champness, N. R.; Hubberstey, P.; Schroder, M. Highly Porous and Robust Scandium-based Metal-Organic Frameworks for Hydrogen Storage. Chem. Commun. 47, 8304 (2011).

Metal-organic framework structure from the Crystallography Open Database (COD 7106668). Download CIF File

Citing MOFomics

Please acknowledge use of characterization results from MOFomics using the following citation:

First, E. L., Floudas, C. A. MOFomics: Computational pore characterization of metal-organic frameworks. Microporous and Mesoporous Materials, 165:32–39, 2013.