Structure 2015236

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Original COD entry Download CIF Download DOT

Citation: Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.; Lo, Samuel M.-F.; Mak, Toby; Chui, Stephen S.-Y.; Cai, Jiwen; Cha, John A.; Williams, Ian D. (2006). Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4'-bipyridine. Acta Crystallographica Section C, 62, pp. o157-o161.

Formula: C20 H17.6 N2 O9.8

Chemical name: 4,4'-bipyridinium 2,5-dicarboxybenzene-1,4-dicarboxylate 1.8-hydrate

Cell parameters:

  • a = 3.7747(2) Å
  • b = 10.8587(5) Å
  • c = 11.9519(6) Å
  • α = 99.626(3)°
  • β = 97.726(3)°
  • γ = 95.515(3)°

List type: noninterleaving

List: 1D

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)

Dimensionality: 1

Formula: H20 O10 (H2 O)

Multiplicity: 1

Coordination sequences:

  • 2, 13, 18, 21, 25, 16, 19, 24, 17, 19
  • 2, 14, 21, 20, 18, 21, 20, 19, 21, 21
  • 2, 14, 22, 18, 19, 21, 21, 18, 21, 20
  • 2, 15, 16, 21, 24, 17, 19, 25, 16, 19
  • 4, 22, 24, 15, 19, 25, 16, 19, 24, 17
  • 5, 24, 24, 12, 19, 24, 17, 19, 25, 16
  • 6, 19, 19, 23, 20, 17, 22, 21, 17, 23
  • 7, 19, 18, 22, 21, 17, 23, 20, 17, 22
  • 8, 18, 19, 21, 21, 18, 21, 20, 19, 21
  • 10, 21, 23, 18, 22, 21, 17, 21, 21, 18
  • 10, 22, 23, 17, 21, 21, 18, 22, 21, 17
  • 11, 18, 22, 25, 17, 18, 25, 17, 18, 25
  • 12, 21, 14, 22, 20, 18, 22, 20, 18, 22
  • 13, 18, 16, 22, 20, 18, 22, 20, 18, 22
  • 14, 16, 17, 22, 20, 18, 22, 20, 18, 22
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