MOF nets overview

On a subpage of this blog a table-like overview of MOFs and their respective underlying nets are gathered – will be expanded from time to time!

https://crystalsymmetry.wordpress.com/nets/mof-nets/

#215

P-43m

Example – Co₃L₂(tpt)₂

tpt = 2,4,6-Tris(4-pyridyl)-1,3,5-triazine
L = 2,4,6-Tris[1-(3-carboxylphenoxy)ylmethyl]mesitylene

A Mixed Molecular Building Block Strategy for the Design of Nested Polyhedron Metal–Organic Frameworks

D. Tian, Q. Chen, Y. Li, Y.-H. Zhang, Z. Chang, X.-H. Bu
Angew. Chem. Int. Ed. (2014), 53, 837

 

CIF
http://1drv.ms/1sqOKtx

 

Co (dark blue)
C (black)
O (red)
N (blue)
H (white)

 

3D rotatable model of Co₃L₂(tpt)₂

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#209

F432

Example – PCN-20

A Large-Surface-Area Boracite-Network-Topology Porous MOF Constructed from a Conjugated Ligand Exhibiting a High Hydrogen Uptake Capacity

X.-S. Wang, S. Ma, D. Yuan, J.W. Yoon, Y.K. Hwang, J.-S. Chang, X. Wang, M.R.Jorgensen, Y.-S. Chen, H.-C. Zhou
Inorg.Chem. (2009), 48, 7519

 

CIF
http://1drv.ms/1mBQIYt

 

Cu (blue)
O (red)
C (black)
H (white)

 

3D rotatable model of PCN-20

#179

P6₅22

Example – LaBTB (BTB = 1,3,5-tris(4-carboxyphenyl benzene)

Breathing Effects of CO₂ Adsorption on a Flexible 3D Lanthanide Metal-Organic Framework

Bin Mu, Feng Li, Yougui Huang, K.Walton
J. Mater. Chem., 2012, 22, 10172-10178

CIF
https://www.dropbox.com/s/3dvpw7sw3hcdj0y/CCDC853237.cif

LaO8 polyhedra (green)
C (black)
H (white)
O (red)

 

3D rotatable model of LaBTB

#166

R-3m

Example – PCN-6, Cu₃(tatb)₂, tatb = 4,4′,4”-s-triazine-2,4,6-triyltribenzoate

An Interweaving MOF with High Hydrogen Uptake

Daofeng Sun , Shengqian Ma , Yanxiong Ke , David J. Collins , and Hong-Cai Zhou
J. Am. Chem. Soc., 2006, 128 (12), pp 3896–3897

 

CIF
http://pubs.acs.org/doi/suppl/10.1021/ja058777l/suppl_file/ja058777lsi20060215_055121.cif

 

 

3D rotatable model of PCN-6

#98

I4₁22

Example – CPF-1

A chiral tetragonal magnesium-carboxylate framework with nanotubular channels

Q. Lin, T. Wu, S.-T. Zheng, X. Bu and P. Feng
Chem. Commun., 2011, 47, 11852-11854

CIF
https://www.dropbox.com/s/84xabgf96elu9ku/C8%20H5%20Mg%20O5.cif

 

3D rotatable model of CPF-1

#94

P4₂2₁2

Example – Zn₂(L) • 4 H₂O, L = 4,4‘-bipyridine-2,6,2‘,6‘-tetracarboxylic acid

A Porous Framework Polymer Based on a Zinc(II) 4,4‘-Bipyridine-2,6,2‘,6‘-tetracarboxylate: Synthesis, Structure, and “Zeolite-Like” Behaviors

X. Lin, A.J. Blake, C. Wilson, X. Zhong Sun, N.R. Champness, M.W. George, P. Hubberstey, R. Mokaya, and M. Schröder
J. Am. Chem. Soc., 2006, 128 (33), pp 10745–10753

CIF
http://pubs.acs.org/doi/suppl/10.1021/ja060946uja060946usi20060215_033141.cif

 

3D rotatable model of Zn₂(L) • 4 H₂O

Chapter 6 starts today!

Dear Students,

in this week we will introduce a very special class of crystalline materials, which are called Metal-Organic Frameworks or short MOFs. Research interest in this kind of materials has intensified immensely over the last decade. As MOFs are also the field of study of our research group, telling you something about these very special crystals is a matter of heart for us.

MOFs are comprised of inorganic and organic secondary building units. We will take a look at different variations of how these secondary building units can be assembled together and we will introduce the principles of classification of these network-like assemblies.

We provide several crystal structures of MOFs as VESTA files, in order for you to be able to get familiar with the structural features of MOFs at the atomic level. (You can find a tutorial on how to obtain and install VESTA in Unit 2.7)

At the end of this chapter we will be prepared for the next week, in which we will introduce software (called TOPOS and Systre) that allows investigating, determining and classifying the topology of Metal-Organic Frameworks in a systematic way, i.e. to answer the question what are the underlying nets (= linked vertices) and how can we precisely describe them?

Enjoy the beauty of porous crystals!
Michael and Frank