Structure 1550137

1550125 << 1550137 >> 1550138
Original COD entry Download CIF Download DOT

Citation: Ding, Bowen; Hua, Carol; Kepert, Cameron J.; D'Alessandro, Deanna Michelle (2019). Influence of Structure-Activity Relationships on Through-Space Intervalence Charge Transfer in Metal-Organic Frameworks with Cofacial Redox-Active Units. Chemical Science, , pp. -.

Formula: C128 H72 Cd4 N16 O16 S8 Se4

Cell parameters:

  • a = 15.868(3) Å
  • b = 19.123(4) Å
  • c = 26.124(5) Å
  • α = 82.02(3)°
  • β = 87.25(3)°
  • γ = 89.73(3)°

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: C127 H69 Cd4 N16 O16 S8 Se4 (C127 H69 Cd4 N16 O16 S8 Se4)

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: C127 H69 Cd4 N16 O16 S8 Se4 (C127 H69 Cd4 N16 O16 S8 Se4)

Multiplicity: 1

span 1 {1 1 1}