Structure 1570089

1570080 << 1570089 >> 1570106
Original COD entry Download CIF Download DOT

Citation: Miller, Paul D.; Shultz, David A.; Mengell, Joshua; Kirk, Martin L.; Wojtas, Lukasz (2023). Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes.. Chemical science, 14, pp. 12264-12276.

Formula: C116.41 H126.41 B2 Cl19.23 N12 O4 S3 Zn2

Chemical name: SQ2Th3

Cell parameters:

  • a = 13.9530(4) Å
  • b = 19.5674(5) Å
  • c = 25.3044(6) Å
  • α = 73.7860(10)°
  • β = 89.4140(10)°
  • γ = 76.8000(10)°

List type: noninterleaving

List: 1D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 2, entity 3 of 1

Basis: (1;0;0)

Dimensionality: 1

Formula: C32 H32 Cl95 (C32 H32 Cl95)

Multiplicity: 1

span 1 {1 1 1}