Structure 7005174

7005169 << 7005174 >> 7005175
Original COD entry Download CIF Download DOT

Citation: Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Garc\'ia-Couceiro, Urko; Garc\'ia-Ter\'an, Juan P; Rom\'an, Pascual (2007). Rational design of 1-D metal-organic frameworks based on the novel pyrimidine-4,6-dicarboxylate ligand. New insights into pyrimidine through magnetic interaction.. Dalton transactions (Cambridge, England : 2003), , pp. 2669-2680.

Formula: C6 H8 Fe N2 O7

Chemical name: catena-[(mu-pyrimidine-4,6-dicarboxylato-N,O:N,O)-diaqua-iron(II)-water (1/1)]

Cell parameters:

  • a = 7.3475(5) Å
  • b = 12.1276(4) Å
  • c = 12.3570(6) Å
  • α = 90.00°
  • β = 120.973(4)°
  • 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: C12 H12 Fe2 N4 O12 (C6 H6 Fe N2 O6)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C12 H12 Fe2 N4 O12 (C6 H6 Fe N2 O6)

Multiplicity: 1

span 1 {1 1 1}