Structure 7060598

7060588 << 7060598 >> 7060599
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: C53 H42 N7 O10 Zn

Cell parameters:

  • a = 16.5565(17) Å
  • b = 14.5139(15) Å
  • c = 21.112(2) Å
  • α = 90°
  • β = 104.938(2)°
  • 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}