Structure 1551454

1551453 << 1551454 >> 1551455
Original COD entry Download CIF Download DOT

Citation: Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder (2015). Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework. Nature Chemistry, 7, pp. 121-129.

Formula: C21 H18 Al2 O10

Cell parameters:

  • a = 14.804690(33) Å
  • b = 14.804690(33) Å
  • c = 11.801726(35) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1-3D

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 3

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

Dimensionality: 3

Formula: C64 H32 Al8 O40 (C8 H4 Al O5)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 5, 20, 24, 33, 40, 64
  • 1, 2, 4, 7, 7, 14, 17, 28, 44, 57
  • 1, 2, 10, 10, 16, 20, 38, 34, 56, 48
  • 2, 7, 9, 16, 17, 31, 31, 55, 51, 76
  • 2, 7, 9, 16, 17, 31, 31, 56, 50, 72
  • 3, 4, 7, 5, 20, 24, 33, 40, 64, 61
  • 3, 4, 7, 7, 14, 17, 28, 44, 57, 56
  • 3, 4, 13, 13, 20, 24, 46, 43, 63, 64
  • 3, 6, 5, 14, 16, 27, 33, 50, 55, 78
  • 3, 6, 7, 8, 9, 22, 38, 46, 47, 77
  • 3, 10, 10, 16, 20, 38, 34, 56, 48, 82
  • 6, 8, 14, 16, 30, 28, 50, 45, 72, 70
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C16 H32 (C H2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C16 H32 (C H2)

Multiplicity: 1

span 1 {1 1 1}