Structure 2021656

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Citation: Wang, Jia; You, Tianchao; Wang, Teng; Liu, Qikui; Ma, Jianping; Jin, Guoxia (2019). Adsorption behaviour of a CdII--triazole MOF for butan-2-one in a single-crystal-to-single-crystal (SCSC) fashion: the role of hydrogen bonding and C---H...\p interactions. Acta Crystallographica Section C Structural Chemistry, 75, pp. 806-.

Formula: C54 H48 Cd Cl2 N12 O9.5

Chemical name: Poly[[bis{\m~3~-4-amino-3,5-bis[3-(pyridin-4-yl)phenyl]-1,2,4-triazole}cadmium(II)] bis(perchlorate) butanone sesquisolvate]

Cell parameters:

  • a = 15.9167(2) Å
  • b = 15.9167(2) Å
  • c = 21.5498(9) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: noninterleaving

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 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: C192 H144 Cd4 N48 (C48 H36 Cd N12)

Multiplicity: 1

span 1 {1 1 1}