Structure 4316269

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Citation: Beatriz Gil-Hern\'andez; Pedro Gili; Jana K. Vieth; Christoph Janiak; Joaqu\'in Sanchiz (2010). Magnetic Ordering in Two Molecule-Based (10,3)-a Nets Prepared from a Copper(II) Trinuclear Secondary Building Unit. Inorganic Chemistry, 49, pp. 7478-7490.

Formula: C60 H12 Cu12 K4 Mn4 O117.12

Chemical name: catena-{hemi(hexaaquapotassium)-hemi[(18-crown-6)potassium]-[(\m-mesoxalato-\kO,O'':O':O'':O''',O'''':O''''')tricopper-manganese]}.5.25hydrate,with H2 on crystal water and 18-c-6 included for calculation:C15 H31.50 Cu3 K Mn O29.25, M = 964.56, Z = 8, F(000) = 3892, Dx = 2.075 g/cm-3, kmin -20, lmin -19 hmax 19, kmax 15 lmax5C36 H12 Cu12 Mn4 O72, 12(C2 O), K O3, 12(O1.17), 16.08(O), 3(K)

Cell parameters:

  • a = 18.346(2) Å
  • b = 18.346(2) Å
  • c = 18.346(2) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

List: 3D

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: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: C36 H12 Cu24 K4 Mn4 O120 (C9 H3 Cu6 K Mn O30)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: C36 H12 Cu24 K4 Mn4 O120 (C9 H3 Cu6 K Mn O30)

Multiplicity: 1

span 1 {1 1 1}