Structure 7007596

7007587 << 7007596 >> 7007638
Original COD entry Download CIF Download DOT

Citation: Brewer, Greg; Olida, Myro Joy; Schmiedekamp, Ann M.; Viragh, Carol; Zavalij, Peter Y. (2006). A DFT computational study of spin crossover in iron(III) and iron(II) tripodal imidazole complexes. A comparison of experiment with calculations.. Dalton transactions (Cambridge, England : 2003), , pp. 5617-5629.

Formula: C18 H23.39 Fe I2.63 N10

Chemical name: Fe(LH3-x) complex (I,I3)1.38

Cell parameters:

  • a = 11.9397(5) Å
  • b = 11.9397(5) Å
  • c = 35.951(2) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 120.00°

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 3

Basis: (1;0;0)

Dimensionality: 1

Formula: C36 H48 Fe2 I19 N20 (C36 H48 Fe2 I19 N20)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: C36 H48 Fe2 I19 N20 (C36 H48 Fe2 I19 N20)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (1;1;0)

Dimensionality: 1

Formula: C36 H48 Fe2 I19 N20 (C36 H48 Fe2 I19 N20)

span 1 {1 1 1}