Structure 4102453

4102452 << 4102453 >> 4102454
Original COD entry Download CIF Download DOT

Citation: Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong (2010). Adsorption and Separation of Reactive Aromatic Isomers and Generation and Stabilization of Their Radicals within Cadmium(II)-Triazole Metal-Organic Confined Space in a Single-Crystal-to-Single-Crystal Fashion. Journal of the American Chemical Society, 132, pp. 7005-7017.

Formula: C55 H45 Cd Cl2 N13 O8

Chemical name: ?

Cell parameters:

  • a = 15.8809(12) Å
  • b = 15.8809(12) Å
  • c = 21.810(3) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

List: 1-3D

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 3

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

Dimensionality: 3

Formula: C192 H144 Cd4 N48 (C48 H36 Cd N12)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C28 H36 N4 (C7 H9 N)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C28 H36 N4 (C7 H9 N)

Multiplicity: 1

span 1 {1 1 1}