Structure 7060599

7060598 << 7060599 >> 7060600
Original COD entry Download CIF Download DOT

Citation: Gee, William J.; Wells, Stephen A.; Teat, Simon J.; Raithby, Paul R.; Burrows, Andrew D. (2021). Using geometric simulation software ‘GASP’ to model conformational flexibility in a family of zinc metal--organic frameworks. New Journal of Chemistry, 45, pp. 8728-8737.

Formula: C106 H100 N8 O25 S8 Zn2

Cell parameters:

  • a = 15.823(4) Å
  • b = 16.228(5) Å
  • c = 22.530(6) Å
  • α = 90°
  • β = 108.133(4)°
  • γ = 90°

List type: interleaving

List: 2D

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)

Dimensionality: 2

Formula: C84 H50 N6 O12 Zn2 (C42 H25 N3 O6 Zn)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;0 0;1;0)

Dimensionality: 2

Formula: C84 H50 N6 O12 Zn2 (C42 H25 N3 O6 Zn)

Multiplicity: 1

span 1 {1 1 1}