Structure 4127288

4127287 << 4127288 >> 4127289
Original COD entry Download CIF Download DOT

Citation: Yu, Mei-Hui; Space, Brian; Franz, Douglas; Zhou, Wei; He, Chaohui; Li, Libo; Krishna, Rajamani; Chang, Ze; Li, Wei; Hu, Tong-Liang; Bu, Xian-He (2019). Enhanced Gas Uptake in a Microporous Metal-Organic Framework via a Sorbate Induced-Fit Mechanism.. Journal of the American Chemical Society, , pp. -.

Formula: C13 H6 Cu F N O4

Cell parameters:

  • a = 10.4862(2) Å
  • b = 10.5374(3) Å
  • c = 15.0449(4) Å
  • α = 90°
  • β = 106.838(3)°
  • γ = 90°

List type: noninterleaving

List: 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 1

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

Dimensionality: 3

Formula: C52 H24 Cu4 F4 N4 O16 (C13 H6 Cu F 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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