Structure 4512074

4512073 << 4512074 >> 4512075
Original COD entry Download CIF Download DOT

Citation: \/Oien, Sigurd; Wragg, David; Reinsch, Helge; Svelle, Stian; Bordiga, Silvia; Lamberti, Carlo; Lillerud, Karl Petter (2014). Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal--Organic Frameworks. Crystal Growth & Design, 14, pp. 5370-.

Formula: C34.32 H17.14 O32.02 Zr6

Chemical name: Zr(IV) terephthalate metal-organic framework

Cell parameters:

  • a = 20.7465(2) Å
  • b = 20.7465(2) Å
  • c = 20.7465(2) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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 H96 O256 Zr24 (C24 H12 O32 Zr3)

Multiplicity: 1

span 1 {1 1 1}