Structure 4107591

4107590 << 4107591 >> 4107604
Original COD entry Download CIF Download DOT

Citation: Dorina F. Sava; Victor Ch. Kravtsov; Farid Nouar; Lukasz Wojtas; Jarrod F. Eubank; Mohamed Eddaoudi (2008). Quest for Zeolite-like Metal-Organic Frameworks: On Pyrimidinecarboxylate Bis-Chelating Bridging Ligands. Journal of the American Chemical Society, 130, pp. 3768-3770.

Formula: C5.7 H3 Cd0.5 N2.35 O4.68

Chemical name: ?

Cell parameters:

  • a = 30.070(7) Å
  • b = 30.070(7) Å
  • c = 30.070(7) 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: C480 H288 Cd48 N192 O192 (C10 H6 Cd N4 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 15, 18, 24, 18, 42, 50
  • 1, 2, 4, 3, 15, 18, 24, 18, 42, 52
  • 1, 2, 4, 10, 11, 18, 18, 33, 36, 53
  • 1, 2, 4, 10, 11, 18, 18, 33, 36, 55
  • 2, 9, 12, 21, 20, 33, 36, 53, 45, 71
  • 2, 9, 12, 21, 20, 33, 36, 55, 48, 73
  • 3, 4, 3, 15, 18, 24, 18, 42, 50, 62
  • 3, 4, 3, 15, 18, 24, 18, 42, 52, 67
  • 3, 4, 10, 11, 18, 18, 33, 36, 53, 45
  • 3, 4, 10, 11, 18, 18, 33, 36, 55, 48
  • 3, 4, 14, 21, 25, 18, 42, 50, 62, 42
  • 3, 4, 14, 21, 25, 18, 42, 52, 67, 45
  • 3, 6, 15, 19, 24, 18, 42, 50, 62, 42
  • 3, 6, 15, 19, 24, 18, 42, 52, 67, 45
  • 3, 11, 13, 19, 18, 33, 36, 53, 45, 71
  • 3, 11, 13, 19, 18, 33, 36, 55, 48, 73
  • 8, 12, 16, 12, 28, 36, 48, 33, 60, 72
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