Structure 1569419

1569418 << 1569419 >> 1569420
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: C56.93 H43.09 I6.02 N12 O1.61 Zn3.01

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

Cell parameters:

  • a = 35.4079(4) Å
  • b = 14.9066(2) Å
  • c = 31.8633(3) Å
  • α = 90°
  • β = 103.6640(10)°
  • 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: C860 H720 I160 N96 O44 Zn80 (C215 H180 I40 N24 O11 Zn20)

Multiplicity: 1

span 1 {1 1 1}