Structure 7247926

7247925 << 7247926 >> 7247927
Original COD entry Download CIF Download DOT

Citation: Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L. (2024). Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.. CrystEngComm, 26, pp. 673-680.

Formula: C8 H3 Br O4 Zn

Cell parameters:

  • a = 28.4852(3) Å
  • b = 28.4852(3) Å
  • c = 7.90520(10) 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: C144 H54 Br18 O72 Zn18 (C8 H3 Br O4 Zn)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 5, 4, 12, 10, 18, 23
  • 1, 2, 4, 5, 3, 8, 7, 15, 17, 32
  • 1, 2, 4, 7, 5, 12, 10, 18, 23, 44
  • 2, 5, 6, 12, 12, 21, 18, 28, 22, 40
  • 2, 5, 6, 12, 12, 21, 18, 29, 22, 40
  • 3, 4, 3, 5, 4, 12, 10, 18, 23, 44
  • 3, 4, 5, 3, 8, 7, 15, 17, 32, 28
  • 3, 4, 7, 5, 12, 10, 18, 23, 44, 33
  • 3, 4, 10, 8, 12, 14, 30, 23, 29, 27
  • 3, 6, 5, 9, 7, 15, 17, 32, 28, 41
  • 4, 4, 8, 10, 20, 16, 20, 17, 40, 30
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