Structure 4512501

4512500 << 4512501 >> 4512503
Original COD entry Download CIF Download DOT

Citation: Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C. (2015). Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate. Crystal Growth & Design, 15, pp. 465-.

Formula: C61 H27 Cu6 O41

Chemical name: 3

Cell parameters:

  • a = 22.3063(4) Å
  • b = 18.2460(3) Å
  • c = 21.5618(4) Å
  • α = 90.00°
  • β = 95.649(2)°
  • γ = 90.00°

List type: interleaving

List: 2D

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 2

Basis: (1;0;-1 0;1;0)

Dimensionality: 2

Formula: C124 H60 Cu12 O64 (C31 H15 Cu3 O16)

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;-1 0;1;0)

Dimensionality: 2

Formula: C124 H60 Cu12 O64 (C31 H15 Cu3 O16)

span 1 {1 1 1}