Structure 1557908

1557819 << 1557908 >> 1557929
Original COD entry Download CIF Download DOT

Citation: Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M. (2020). Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal--organic framework via single crystal electronic absorption spectroscopy. Chemical Science, 11, pp. 5213-5220.

Formula: C38 H32 Cd N6 O6 S3

Chemical name: CdTzTz

Cell parameters:

  • a = 19.0673(3) Å
  • b = 26.1197(6) Å
  • c = 15.5005(3) Å
  • α = 90°
  • β = 90°
  • γ = 90°

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: C144 H80 Cd4 N24 O16 S20 (C36 H20 Cd N6 O4 S5)

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: C144 H80 Cd4 N24 O16 S20 (C36 H20 Cd N6 O4 S5)

Multiplicity: 1

span 1 {1 1 1}