Structure 1569417

1569416 << 1569417 >> 1569418
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: C50.67 H46.7 I6 N12 O1.42 Zn3

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

Cell parameters:

  • a = 31.5077(5) Å
  • b = 14.99910(10) Å
  • c = 34.4289(6) Å
  • α = 90°
  • β = 102.0860(10)°
  • 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: C156 H120 I52 N48 Zn20 (C39 H30 I13 N12 Zn5)

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: C156 H120 I52 N48 Zn20 (C39 H30 I13 N12 Zn5)

Multiplicity: 1

span 1 {1 1 1}