Structure 7018085

7018055 << 7018085 >> 7018089
Original COD entry Download CIF Download DOT

Citation: Ross, Tamsyn M.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S. (2012). Spin crossover in polymeric and heterometallic Fe(II) species containing polytopic dipyridylamino-substituted-triazine ligands.. Dalton transactions (Cambridge, England : 2003), 41, pp. 2571-2581.

Formula: C36 H40 Fe N12 O5 S2

Chemical name: trans-[Fe(II)(NCS)2(DDCr5)].CH3OH

Cell parameters:

  • a = 17.495(2) Å
  • b = 12.702(2) Å
  • c = 18.477(2) Å
  • α = 90.00°
  • β = 104.548(3)°
  • 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: C72 H56 Fe2 N24 O10 S6 (C36 H28 Fe N12 O5 S3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C72 H56 Fe2 N24 O10 S6 (C36 H28 Fe N12 O5 S3)

Multiplicity: 1

span 1 {1 1 1}