Structure 4119176

4119149 << 4119176 >> 4119177
Original COD entry Download CIF Download DOT

Citation: Liting Du; Zhiyong Lu; Kaiyuan Zheng; Junyi Wang; Xin Zheng; Yi Pan; Xiaozeng You; Junfeng Bai (2013). Fine-Tuning Pore Size by Shifting Coordination Sites of Ligands and Surface Polarization of Metal-Organic Frameworks To Sharply Enhance the Selectivity for CO2. Journal of the American Chemical Society, 135, pp. 562-565.

Formula: C16 H14 Cu N2 O5

Chemical name: ?

Cell parameters:

  • a = 10.5385(9) Å
  • b = 10.7768(9) Å
  • c = 14.7694(12) Å
  • α = 90.00°
  • β = 108.7200(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: C52 H28 Cu4 N4 O16 (C13 H7 Cu N O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 8, 13, 9, 17, 23, 31
  • 1, 2, 4, 5, 5, 8, 14, 10, 28, 33
  • 1, 2, 4, 7, 5, 18, 18, 25, 30, 45
  • 1, 2, 4, 7, 7, 13, 15, 28, 25, 40
  • 1, 2, 4, 7, 7, 13, 15, 28, 25, 41
  • 1, 2, 4, 8, 10, 8, 16, 22, 20, 28
  • 1, 2, 4, 10, 14, 9, 17, 23, 31, 37
  • 2, 7, 11, 13, 16, 23, 22, 33, 38, 58
  • 2, 7, 11, 13, 16, 23, 22, 33, 39, 58
  • 2, 7, 11, 13, 16, 23, 22, 33, 39, 61
  • 3, 4, 3, 8, 13, 9, 17, 23, 31, 37
  • 3, 4, 5, 5, 8, 14, 10, 28, 33, 36
  • 3, 4, 7, 5, 18, 18, 25, 30, 45, 39
  • 3, 4, 7, 7, 13, 15, 28, 25, 40, 44
  • 3, 4, 7, 7, 13, 15, 28, 25, 41, 47
  • 3, 4, 8, 10, 8, 16, 22, 20, 28, 42
  • 3, 4, 10, 14, 9, 17, 23, 31, 37, 45
  • 3, 4, 12, 10, 16, 18, 29, 30, 40, 43
  • 3, 4, 12, 10, 16, 18, 29, 30, 41, 46
  • 3, 6, 5, 13, 13, 22, 25, 38, 34, 48
  • 3, 6, 5, 13, 13, 22, 25, 38, 35, 50
  • 3, 6, 7, 8, 10, 25, 20, 34, 42, 48
  • 3, 6, 7, 9, 14, 10, 28, 33, 36, 45
  • 3, 9, 12, 9, 16, 22, 20, 28, 42, 60
  • 6, 11, 10, 15, 22, 19, 27, 32, 52, 63
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