Structure 1569420

1569419 << 1569420 >> 1569421
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: C44.23 H30.91 F0.63 I6 N12 O0.63 Zn3

Chemical name: 6-fluoro-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)

Cell parameters:

  • a = 35.6889(7) Å
  • b = 14.8458(2) Å
  • c = 31.8064(6) Å
  • α = 90°
  • β = 103.685(2)°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

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: C392 H280 F8 I144 N96 O8 Zn72 (C49 H35 F I18 N12 O Zn9)

Multiplicity: 1

span 1 {1 1 1}