Structure 1552898

1552897 << 1552898 >> 1552899
Original COD entry Download CIF Download DOT

Citation: Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. (2018). An experimental and computational study of CO2 adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.. Chemical science, 9, pp. 4579-4588.

Formula: C26.59 H15.77 Cl Fe4.36 N32 O2.59

Cell parameters:

  • a = 18.8957(4) Å
  • b = 18.8957 Å
  • c = 18.8957 Å
  • α = 90.0°
  • β = 90.0°
  • γ = 90.0°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

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: C96 H96 Cl3 Fe12 N96 O12 (C32 H32 Cl Fe4 N32 O4)

Multiplicity: 1

span 1 {1 1 1}