Structure 7060600

7060599 << 7060600 >> 7060630
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: C48 H24 N5 O11 Zn

Cell parameters:

  • a = 17.733(5) Å
  • b = 11.753(3) Å
  • c = 22.790(6) Å
  • α = 90°
  • β = 96.427(4)°
  • γ = 90°

List type: interleaving

List: 2D

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span 1 {1 1 1}
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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 2

Formula: C84 H48 N6 O14 Zn2 (C42 H24 N3 O7 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 H48 N6 O14 Zn2 (C42 H24 N3 O7 Zn)

Multiplicity: 1

span 1 {1 1 1}