Structure 1569412

1569403 << 1569412 >> 1569413
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: C53.14 H44.05 I6 N12 O1.01 Zn3

Chemical name: (2',3',6'-trimethyl-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)

Cell parameters:

  • a = 35.5224(6) Å
  • b = 14.9127(2) Å
  • c = 30.9220(5) Å
  • α = 90°
  • β = 102.400(2)°
  • γ = 90°

List type: interleaving

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 2

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

Dimensionality: 3

Formula: C144 H96 I72 N48 Zn36 (C12 H8 I6 N4 Zn3)

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: C144 H96 I72 N48 Zn36 (C12 H8 I6 N4 Zn3)

Multiplicity: 1

span 1 {1 1 1}