Structure 1568709

1568708 << 1568709 >> 1568710
Original COD entry Download CIF Download DOT

Citation: Kamin, Ashlyn A.; Moseley, Ian P.; Oh, Jeewhan; Brannan, E. J.; Gannon, Paige M.; Kaminsky, Werner; Zadrozny, Joseph M.; Xiao, Dianne J. (2023). Geometry-dependent valence tautomerism, magnetism, and electrical conductivity in 1D iron-tetraoxolene chains.. Chemical science, 14, pp. 4083-4090.

Formula: C26 H28 Fe N2 O6

Cell parameters:

  • a = 18.0920(10) Å
  • b = 18.0920(10) Å
  • c = 7.8010(4) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 1D

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 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C62 H92 Fe N8 O12 (C62 H92 Fe N8 O12)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C62 H92 Fe N8 O12 (C62 H92 Fe N8 O12)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C62 H92 Fe N8 O12 (C62 H92 Fe N8 O12)

Multiplicity: 1

span 1 {1 1 1}