Structure 1569414

1569413 << 1569414 >> 1569415
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: C53.17 H48.75 I6.01 N12 O0.62 Zn3.01

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

Cell parameters:

  • a = 14.8189(3) Å
  • b = 19.1026(3) Å
  • c = 31.8140(4) Å
  • α = 101.5570(10)°
  • β = 92.340(2)°
  • γ = 110.826(2)°

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: C76 H52 I32 N24 Zn16 (C19 H13 I8 N6 Zn4)

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: C76 H52 I32 N24 Zn16 (C19 H13 I8 N6 Zn4)

Multiplicity: 1

span 1 {1 1 1}