Structure 1569421

1569420 << 1569421 >> 1569422
Original COD entry Download CIF Download DOT

Citation: Carroll, Robert C.; Harrowven, David C.; Pearce, James E.; Coles, Simon J. (2023). A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges. IUCrJ, 10, pp. 497-508.

Formula: C48.16 H34.29 F0.94 I6 N12 O0.94 Zn3

Chemical name: 5-fluoro-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)

Cell parameters:

  • a = 35.7099(2) Å
  • b = 14.85945(10) Å
  • c = 31.59300(19) Å
  • α = 90°
  • β = 103.0109(6)°
  • γ = 90°

List type: noninterleaving

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 1

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

Dimensionality: 3

Formula: C600 H456 F24 I128 N96 O24 Zn64 (C75 H57 F3 I16 N12 O3 Zn8)

Multiplicity: 1

span 1 {1 1 1}