View Structure: MINVUA (MIL-53ht)

Number of topological features per unit cell.
AtomsPortalsChannelsCages JunctionsConnections
56271 4044
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 
100    0.41642
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
0.4160.4160.416  184018401840
Pore characterization quantities.
Largest Cavity
Diameter (Å)
Pore Limiting
Diameter (Å)
6.56.5
Unit cell parameters.
Space
Group
  Cell Lengths (Å) Cell Angles (deg.)
 abc αβγ
74 6.8116.7313.04  90.090.090.0
International Tables for Crystallography A (2006).

Citation: Millange, F.; Serre, C.; Ferey, G. Chem. Commun. (2002).

CIF File at WebCSD (CCDC number 181154)

Other MIL-53 Structures


COD 4103388

COD 4103390

MINVUA01

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.