Structure 4106778

4106777 << 4106778 >> 4106786
Original COD entry Download CIF Download DOT

Citation: Eric D. Bloch; Leslie J. Murray; Wendy L. Queen; Sachin Chavan; Sergey N. Maximoff; Julian P. Bigi; Rajamani Krishna; Vanessa K. Peterson; Fernande Grandjean; Gary J. Long; Berend Smit; Silvia Bordiga; Craig M. Brown; Jeffrey R. Long (2011). Selective Binding of O2 over N2 in a Redox-Active Metal-Organic Framework with Open Iron(II) Coordination Sites. Journal of the American Chemical Society, 133, pp. 14814-14822.

Formula: C4 H Fe O3

Cell parameters:

  • a = 26.1627(21) Å
  • b = 26.1627 Å
  • c = 6.8422(7) Å
  • α = 90.0°
  • β = 90.0°
  • γ = 120.0°

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: C72 H18 Fe18 O54 (C4 H Fe O3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 15, 26, 34, 45, 57, 65
  • 2, 8, 13, 20, 25, 32, 42, 51, 71, 84
  • 3, 4, 7, 15, 26, 34, 45, 57, 65, 75
  • 3, 5, 14, 18, 23, 37, 47, 52, 64, 88
  • 3, 6, 7, 16, 27, 35, 46, 58, 65, 74
  • 3, 6, 13, 16, 21, 37, 48, 54, 66, 88
  • 3, 11, 14, 21, 27, 35, 46, 54, 76, 85
  • 3, 11, 17, 21, 27, 36, 48, 58, 76, 90
  • 7, 13, 18, 24, 32, 36, 45, 69, 79, 89
span 1 {1 1 1}