Structure 4132747

4132719 << 4132747 >> 4132756
Original COD entry Download CIF Download DOT

Citation: Liu, Jian; Ye, Jingyun; Li, Zhanyong; Otake, Ken-Ichi; Liao, Yijun; Peters, Aaron W.; Noh, Hyunho; Truhlar, Donald G.; Gagliardi, Laura; Cramer, Christopher J.; Farha, Omar K.; Hupp, Joseph T. (2018). Beyond the Active Site: Tuning the Activity and Selectivity of a Metal-Organic Framework-Supported Ni Catalyst for Ethylene Dimerization.. Journal of the American Chemical Society, 140, pp. 11174-11178.

Formula: C108 H52 F24 O32 Zr6

Cell parameters:

  • a = 39.341(3) Å
  • b = 39.341(3) Å
  • c = 16.4692(16) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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: C312 H180 F72 O96 Zr18 (C52 H30 F12 O16 Zr3)

Multiplicity: 1

span 1 {1 1 1}