Structure 4102441

4102440 << 4102441 >> 4102442
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: C53 H40 Cd Cl2 N12 O9 S

Chemical name: ?

Cell parameters:

  • a = 15.8792(11) Å
  • b = 15.8792(11) Å
  • c = 21.594(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}
Ctrl-click to select multiple nodes

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: C20 H16 O4 S4 (C5 H4 O S)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 6, 7, 2, 4, 3, 6, 7
  • 1, 2, 4, 3, 4, 3, 6, 7, 2, 4
  • 1, 2, 5, 4, 3, 5, 7, 4, 3, 3
  • 1, 3, 5, 3, 4, 4, 6, 5, 3, 4
  • 2, 4, 5, 2, 5, 6, 4, 5, 2, 5
  • 2, 5, 6, 4, 5, 2, 5, 6, 4, 5
  • 3, 3, 6, 7, 2, 4, 3, 6, 7, 2
  • 3, 4, 3, 4, 3, 6, 7, 2, 4, 3
  • 3, 5, 4, 3, 5, 7, 4, 3, 3, 5
  • 3, 5, 4, 4, 6, 3, 5, 4, 4, 6
  • 4, 5, 3, 4, 4, 6, 5, 3, 4, 4
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C20 H16 O4 S4 (C5 H4 O S)

Multiplicity: 1

span 1 {1 1 1}