Structure 1558901

1558878 << 1558901 >> 1558903
Original COD entry Download CIF Download DOT

Citation: Gopalsamy, Karuppasamy; Babarao, Ravichandar (2020). Heterometallic Metal Organic Frameworks for Air Separation: A Computational Study. Industrial & Engineering Chemistry Research, 59, pp. 15718-15731.

Formula: C48 H20 Fe6 N6 O32

Cell parameters:

  • a = 21.966(3) Å
  • b = 21.966(3) Å
  • c = 21.966(3) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: C192 H96 Fe24 N24 O128 (C24 H12 Fe3 N3 O16)

Multiplicity: 1

span 1 {1 1 1}