Structure 4132641

4132639 << 4132641 >> 4132678
Original COD entry Download CIF Download DOT

Citation: Lee, Seungkyu; B\"urgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M. (2018). Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.. Journal of the American Chemical Society, 140, pp. 8958-8964.

Formula: C144 H72 O38.4 Zr7.2

Chemical name: MOF-1005

Cell parameters:

  • a = 38.764(3) Å
  • b = 38.764(3) Å
  • c = 38.764(3) Å
  • α = 90°
  • β = 90°
  • 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: C360 H216 O96 Zr18 (C60 H36 O16 Zr3)

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: C408 O96 Zr18 (C68 O16 Zr3)

Multiplicity: 1

span 1 {1 1 1}