Structure 7127051

7127048 << 7127051 >> 7127053
Original COD entry Download CIF Download DOT

Citation: Zappe, Lisa; Sch\"onfeld, Sophie; H\"orner, Gerald; Zenere, Katrina A.; Leong, Chanel F.; Kepert, Cameron J.; D'Alessandro, Deanna M; Weber, Birgit; Neville, Suzanne M. (2020). Spin crossover modulation in a coordination polymer with the redox-active bis-pyridyltetrathiafulvalene (py2TTF) ligand.. Chemical communications (Cambridge, England), 56, pp. 10469-10472.

Formula: C68 H56 Fe2 N8 O8 S8

Cell parameters:

  • a = 13.268(3) Å
  • b = 15.980(3) Å
  • c = 18.693(4) Å
  • α = 67.82(3)°
  • β = 76.64(3)°
  • γ = 81.97(3)°

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 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C52 H40 Fe2 N6 O8 S4 (C26 H20 Fe N3 O4 S2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;0;1)

Dimensionality: 1

Formula: C52 H40 Fe2 N6 O8 S4 (C26 H20 Fe N3 O4 S2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (1;-1;0)

Dimensionality: 1

Formula: C34 H28 Fe N4 O4 S4 (C34 H28 Fe N4 O4 S4)

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (1;-1;0)

Dimensionality: 1

Formula: C34 H28 Fe N4 O4 S4 (C34 H28 Fe N4 O4 S4)

span 1 {1 1 1}