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: C22.86 H16.22 I3.75 N6 O0.37 Zn1.5
Chemical name:3,5-diiodo-2'-methyl-[1,1'-biphenyl]-2-ol (absorbed in crystalline sponge)
Cell parameters:
a = 14.7780(5) Å
b = 18.2345(5) Å
c = 30.7970(5) Å
α = 98.227(2)°
β = 91.736(2)°
γ = 113.055(3)°
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: C85 H60 I32 N24 O Zn15 (C85 H60 I32 N24 O Zn15)
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: C85 H60 I32 N24 O Zn15 (C85 H60 I32 N24 O Zn15)