View Structure: COD 4103390 (MIL-53 ht St)

Number of topological features per unit cell.
AtomsPortalsChannelsCages JunctionsConnections
56270 42618
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  97  0.41538
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
0.4150.415  17351735
Pore characterization quantities.
Largest Cavity
Diameter (Å)
Pore Limiting
Diameter (Å)
7.35.8
Unit cell parameters.
Space
Group
  Cell Lengths (Å) Cell Angles (deg.)
 abc αβγ
74 6.6416.0413.85  90.090.090.0
International Tables for Crystallography A (2006).

Citation: Maes, M.; Vermoortele, F.; Alaerts, L.; Couck, S. Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms. Journal of the American Chemical Society 132, 15277-15285 (2010).

Metal-organic framework structure from the Crystallography Open Database (COD 4103390). Download CIF File

Other MIL-53 Structures


COD 4103388

MINVUA

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.