Structure 1569424

1569423 << 1569424 >> 1569431
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: C48.24 H36.74 I6 N12 O0.53 Zn3

Chemical name: 2''-methyl-[1,1':3',1''-terphenyl]-4'-ol (absorbed in crystalline sponge)

Cell parameters:

  • a = 34.9529(6) Å
  • b = 14.9266(2) Å
  • c = 30.7318(5) Å
  • α = 90°
  • β = 101.777(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: C219 H180 I64 N48 O3 Zn32 (C219 H180 I64 N48 O3 Zn32)

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: C169 H124 I64 N48 O Zn32 (C169 H124 I64 N48 O Zn32)

Multiplicity: 1

span 1 {1 1 1}