Structure 1569415

1569414 << 1569415 >> 1569416
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: C45.94 H34.64 I6 N12.54 O0.54 Zn3

Chemical name: 2'-(hydroxymethyl)-2,6-dimethyl-[1,1'-biphenyl]-4-carbonitrile (absorbed in crystalline sponge)

Cell parameters:

  • a = 35.620(2) Å
  • b = 14.9567(3) Å
  • c = 30.9945(16) Å
  • α = 90°
  • β = 102.899(6)°
  • 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: C232 H204 I64 N52 O4 Zn32 (C58 H51 I16 N13 O Zn8)

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: C232 H204 I64 N52 O4 Zn32 (C58 H51 I16 N13 O Zn8)

Multiplicity: 1

span 1 {1 1 1}