Structure 4102082

4102081 << 4102082 >> 4102083
Original COD entry Download CIF Download DOT

Citation: Phoebe K. Allan; Bo Xiao; Simon J. Teat; Jason W. Knight; Russell E. Morris (2010). In Situ Single-Crystal Diffraction Studies of the Structural Transition of Metal-Organic Framework Copper 5-Sulfoisophthalate, Cu-SIP-3. Journal of the American Chemical Society, 132, pp. 3605-3611.

Formula: C8 H4 Cu2 O11 S

Chemical name: ?

Cell parameters:

  • a = 7.271(4) Å
  • b = 18.061(10) Å
  • c = 10.212(6) Å
  • α = 90.00°
  • β = 94.234(10)°
  • 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: C32 H12 Cu8 O36 S4 (C8 H3 Cu2 O9 S)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 5, 20, 21, 36, 48, 80
  • 1, 2, 4, 8, 5, 21, 27, 41, 51, 75
  • 1, 2, 4, 8, 5, 22, 30, 37, 50, 75
  • 1, 3, 4, 15, 20, 23, 30, 52, 74, 86
  • 1, 5, 8, 11, 17, 28, 39, 49, 50, 90
  • 2, 7, 8, 14, 18, 30, 40, 62, 68, 96
  • 2, 7, 9, 13, 18, 30, 40, 61, 66, 94
  • 2, 8, 10, 18, 27, 32, 42, 68, 81, 106
  • 2, 8, 11, 16, 17, 32, 44, 63, 73, 95
  • 2, 8, 12, 15, 17, 32, 44, 62, 72, 97
  • 2, 9, 13, 19, 23, 33, 50, 70, 78, 104
  • 3, 4, 7, 5, 20, 21, 36, 48, 80, 97
  • 3, 4, 8, 5, 21, 27, 41, 51, 75, 102
  • 3, 4, 8, 5, 22, 30, 37, 50, 75, 100
  • 3, 4, 12, 11, 20, 19, 55, 67, 68, 86
  • 3, 4, 13, 14, 17, 21, 52, 66, 71, 78
  • 3, 6, 5, 14, 12, 34, 43, 62, 77, 94
  • 3, 6, 5, 15, 15, 30, 42, 63, 76, 96
  • 3, 7, 5, 16, 21, 35, 45, 58, 81, 116
  • 3, 12, 11, 14, 20, 45, 44, 57, 52, 131
  • 4, 4, 15, 20, 23, 30, 52, 74, 86, 88
  • 6, 8, 11, 17, 28, 39, 49, 50, 90, 121
  • 7, 11, 13, 16, 30, 43, 50, 55, 90, 135
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