Structure 4132399

4132398 << 4132399 >> 4132400
Original COD entry Download CIF Download DOT

Citation: Park, Jesse G.; Aubrey, Michael L.; Oktawiec, Julia; Chakarawet, Khetpakorn; Darago, Lucy E.; Grandjean, Fernande; Long, Gary J.; Long, Jeffrey R. (2018). Charge Delocalization and Bulk Electronic Conductivity in the Mixed-Valence Metal-Organic Framework Fe(1,2,3-triazolate)2(BF4) x.. Journal of the American Chemical Society, 140, pp. 8526-8534.

Formula: C48 H48 Fe12 N72

Cell parameters:

  • a = 16.65075(17) Å
  • b = 16.65075(17) Å
  • c = 16.65075(17) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: C96 H96 Fe24 N144 (C4 H4 Fe N6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 18, 28, 29, 34, 51, 80
  • 3, 4, 7, 18, 28, 29, 34, 51, 80, 81
  • 3, 9, 15, 25, 25, 37, 45, 71, 69, 111
  • 3, 9, 18, 24, 36, 30, 50, 66, 102, 102
  • 6, 12, 16, 24, 24, 40, 36, 60, 96, 144
  • 6, 12, 20, 18, 30, 48, 72, 54, 90, 144
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