Structure 1569416

1569415 << 1569416 >> 1569417
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: C45.57 H34.77 I6 N12 O1.2 Zn3

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

Cell parameters:

  • a = 35.3379(7) Å
  • b = 14.8649(2) Å
  • c = 31.6259(7) Å
  • α = 90°
  • β = 102.979(2)°
  • γ = 90°

List type: interleaving

List: 3D

Combined 3D structure and graph

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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 0;0;1)

Dimensionality: 3

Formula: C186 H138 I68 N48 O6 Zn32 (C93 H69 I34 N24 O3 Zn16)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: C158 H110 I68 N48 O2 Zn32 (C79 H55 I34 N24 O Zn16)

Multiplicity: 1

span 1 {1 1 1}