Structure 1569423

1569422 << 1569423 >> 1569424
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: C49.98 H38.21 I6 N12 O Zn3

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

Cell parameters:

  • a = 35.5509(6) Å
  • b = 14.9182(3) Å
  • c = 30.8851(5) Å
  • α = 90°
  • β = 102.449(2)°
  • γ = 90°

List type: interleaving

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 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}