Structure 4130102

4130101 << 4130102 >> 4130122
Original COD entry Download CIF Download DOT

Citation: Reed, Douglas A.; Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Herm, Zoey R.; Grandjean, Fernande; Long, Jeffrey R. (2016). Reversible CO Scavenging via Adsorbate-Dependent Spin State Transitions in an Iron(II)-Triazolate Metal-Organic Framework.. Journal of the American Chemical Society, 138, pp. 5594-5602.

Formula: C264 H240 Cl6 Fe27 N168 O24

Cell parameters:

  • a = 38.0680(11) Å
  • b = 38.0680(11) Å
  • c = 38.0680(11) Å
  • α = 90°
  • β = 90°
  • γ = 90°

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: C888 H504 Cl24 Fe96 N696 O96 (C37 H21 Cl Fe4 N29 O4)

Multiplicity: 1

span 1 {1 1 1}