Structure 7234532

7234515 << 7234532 >> 7234533
Original COD entry Download CIF Download DOT

Citation: Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A. (2019). An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent. CrystEngComm, 21, pp. 6330-.

Formula: C41 H41.68 B4 F16 Fe2 N25 O5.34

Chemical name: catena-Bis-[/m-{2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine}]-bis [2-(pyrazol-1-yl)-6-(1,2,4-triazol-1-yl)pyridine]diaqua-di-iron(II)tetrakis-tetrafluoroborate hydrate (2/1.34) nitromethane solvate

Cell parameters:

  • a = 19.9190(3) Å
  • b = 15.3887(3) Å
  • c = 18.5909(3) Å
  • α = 90.00°
  • β = 101.152(2)°
  • γ = 90.00°

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 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C112 H96 Fe4 N60 O4 (C28 H24 Fe N15 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C112 H96 Fe4 N60 O4 (C28 H24 Fe N15 O)

Multiplicity: 1

span 1 {1 1 1}