Structure 4107590

4107589 << 4107590 >> 4107591
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: C1.5 H0.5 In0.125 K0.16 N0.58 Na0.045 O1.36

Chemical name: ?

Cell parameters:

  • a = 18.761(4) Å
  • b = 18.761(4) Å
  • c = 18.761(4) 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: C144 H48 In12 N48 O96 (C12 H4 In N4 O8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 9, 12, 15, 15, 33, 42, 45
  • 1, 2, 4, 7, 13, 18, 24, 18, 48, 59
  • 1, 2, 4, 17, 21, 24, 18, 48, 59, 68
  • 2, 9, 11, 16, 11, 32, 39, 48, 34, 80
  • 3, 3, 9, 12, 15, 15, 33, 42, 45, 48
  • 3, 4, 7, 13, 18, 24, 18, 48, 59, 68
  • 3, 4, 17, 21, 24, 18, 48, 59, 68, 47
  • 3, 6, 9, 12, 18, 18, 36, 39, 59, 53
  • 3, 11, 13, 20, 19, 36, 39, 59, 53, 89
  • 8, 12, 16, 12, 32, 40, 48, 34, 80, 96
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