Structure 4104053

4104052 << 4104053 >> 4104054
Original COD entry Download CIF Download DOT

Citation: Elinor C. Spencer; Ross J. Angel; Nancy L. Ross; Brian E. Hanson; Judith A. K. Howard (2009). Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study. Journal of the American Chemical Society, 131, pp. 4022-4026.

Formula: C12 H12 N8 Zn2

Chemical name: ?

Cell parameters:

  • a = 22.7482(3) Å
  • b = 22.7482(3) Å
  • c = 13.0168(3) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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 H192 N128 Zn32 (C6 H6 N4 Zn)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 5, 9, 18, 18, 15, 27, 48
  • 1, 2, 4, 5, 9, 18, 18, 15, 27, 51
  • 1, 2, 4, 5, 9, 18, 18, 15, 27, 54
  • 1, 2, 4, 8, 12, 24, 12, 18, 34, 62
  • 1, 2, 4, 8, 12, 24, 12, 18, 35, 67
  • 1, 2, 4, 8, 12, 24, 12, 18, 36, 72
  • 3, 4, 5, 9, 18, 18, 15, 27, 48, 43
  • 3, 4, 5, 9, 18, 18, 15, 27, 48, 44
  • 3, 4, 5, 9, 18, 18, 15, 27, 51, 47
  • 3, 4, 5, 9, 18, 18, 15, 27, 51, 48
  • 3, 4, 5, 9, 18, 18, 15, 27, 54, 52
  • 3, 4, 8, 12, 24, 12, 18, 34, 62, 26
  • 3, 4, 8, 12, 24, 12, 18, 34, 62, 28
  • 3, 4, 8, 12, 24, 12, 18, 35, 67, 29
  • 3, 4, 8, 12, 24, 12, 18, 36, 72, 32
  • 3, 7, 8, 15, 12, 21, 24, 43, 29, 45
  • 3, 7, 8, 15, 12, 21, 24, 43, 30, 49
  • 3, 7, 8, 15, 12, 21, 24, 44, 31, 48
  • 3, 7, 8, 15, 12, 21, 24, 44, 32, 52
  • 3, 7, 8, 15, 12, 21, 24, 45, 34, 55
  • 4, 8, 16, 8, 12, 24, 48, 21, 24, 48
  • 4, 8, 16, 8, 12, 24, 48, 22, 28, 56
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