Structure 4132266

4132208 << 4132266 >> 4132268
Original COD entry Download CIF Download DOT

Citation: Hua, Carol; Doheny, Patrick W.; Ding, Bowen; Chan, Bun; Yu, Michelle; Kepert, Cameron J.; D'Alessandro, Deanna M (2018). Through-Space Intervalence Charge Transfer as a Mechanism for Charge Delocalization in Metal-Organic Frameworks.. Journal of the American Chemical Society, 140, pp. 6622-6630.

Formula: C42 H28 N4 O8 S4 Zn2

Cell parameters:

  • a = 14.5894(2) Å
  • b = 14.6248(2) Å
  • c = 29.1828(4) Å
  • α = 100.6570(10)°
  • β = 101.0100(10)°
  • γ = 90.2530(10)°

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: C84 H56 N8 O16 S8 Zn4 (C21 H14 N2 O4 S2 Zn)

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: C84 H56 N8 O16 S8 Zn4 (C21 H14 N2 O4 S2 Zn)

Multiplicity: 1

span 1 {1 1 1}