Structure 4128033

4128032 << 4128033 >> 4128034
Original COD entry Download CIF Download DOT

Citation: Lv, Xiu-Liang; Yuan, Shuai; Xie, Lin-Hua; Darke, Hannah F.; Chen, Ya; He, Tao; Dong, Chen; Wang, Bin; Zhang, Yong-Zheng; Li, Jian-Rong; Zhou, Hong-Cai (2019). Ligand Rigidification for Enhancing the Stability of Metal-Organic Frameworks.. Journal of the American Chemical Society, 141, pp. 10283-10293.

Formula: C168 H90 O24 Zr9

Cell parameters:

  • a = 23.0014(4) Å
  • b = 23.0014(4) Å
  • c = 18.5185(5) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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: C168 H90 O54 Zr18 (C28 H15 O9 Zr3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 5, 6, 10, 27, 44, 35, 30
  • 1, 2, 4, 5, 6, 11, 16, 42, 41, 28
  • 1, 2, 4, 5, 7, 6, 11, 32, 45, 35
  • 1, 2, 4, 5, 7, 6, 12, 21, 43, 41
  • 1, 2, 4, 5, 9, 27, 43, 30, 29, 35
  • 1, 2, 4, 5, 10, 16, 41, 36, 27, 37
  • 1, 2, 4, 7, 8, 4, 10, 32, 45, 35
  • 1, 2, 4, 7, 8, 4, 11, 21, 43, 41
  • 1, 2, 4, 7, 9, 8, 10, 9, 7, 19
  • 1, 2, 4, 7, 9, 8, 12, 14, 10, 14
  • 1, 2, 4, 7, 9, 8, 12, 14, 10, 15
  • 1, 2, 4, 8, 27, 42, 30, 28, 30, 42
  • 1, 2, 4, 9, 16, 40, 36, 26, 32, 37
  • 1, 2, 4, 10, 28, 40, 29, 28, 30, 42
  • 1, 2, 4, 11, 17, 38, 35, 26, 32, 37
  • 1, 14, 50, 25, 20, 34, 40, 37, 34, 25
  • 3, 4, 5, 6, 10, 27, 44, 35, 30, 35
  • 3, 4, 5, 6, 11, 16, 42, 41, 28, 37
  • 3, 4, 5, 7, 6, 11, 32, 45, 35, 35
  • 3, 4, 5, 7, 6, 12, 21, 43, 41, 33
  • 3, 4, 5, 9, 27, 43, 30, 29, 35, 43
  • 3, 4, 5, 10, 16, 41, 36, 27, 37, 38
  • 3, 4, 7, 8, 4, 10, 32, 45, 35, 35
  • 3, 4, 7, 8, 4, 11, 21, 43, 41, 33
  • 3, 4, 7, 9, 8, 10, 9, 7, 19, 43
  • 3, 4, 7, 9, 8, 12, 14, 10, 14, 31
  • 3, 4, 7, 9, 8, 12, 14, 10, 15, 20
  • 3, 4, 8, 27, 42, 30, 28, 30, 42, 42
  • 3, 4, 9, 16, 40, 36, 26, 32, 37, 44
  • 3, 4, 10, 28, 40, 29, 28, 30, 42, 42
  • 3, 4, 11, 17, 38, 35, 26, 32, 37, 44
  • 3, 6, 6, 4, 9, 27, 44, 35, 30, 35
  • 3, 6, 6, 4, 10, 16, 42, 41, 28, 37
  • 3, 6, 6, 7, 26, 43, 30, 29, 35, 43
  • 3, 6, 6, 8, 15, 41, 36, 27, 37, 38
  • 3, 6, 7, 6, 8, 9, 11, 32, 50, 34
  • 3, 6, 7, 6, 8, 9, 12, 21, 48, 40
  • 3, 6, 7, 8, 11, 9, 9, 16, 31, 51
  • 3, 6, 7, 8, 11, 9, 9, 17, 20, 48
  • 3, 6, 7, 8, 13, 14, 12, 12, 8, 13
  • 3, 9, 27, 42, 30, 25, 29, 41, 37, 30
  • 3, 10, 16, 40, 36, 23, 31, 36, 39, 34
  • 5, 27, 45, 25, 26, 39, 39, 34, 31, 23
  • 5, 34, 43, 16, 27, 39, 39, 36, 30, 21
  • 6, 22, 46, 28, 26, 39, 39, 34, 31, 23
  • 6, 26, 43, 30, 27, 30, 38, 36, 29, 30
  • 7, 15, 41, 36, 25, 32, 33, 38, 33, 26
  • 8, 20, 39, 30, 21, 34, 42, 34, 33, 28
  • 15, 50, 25, 20, 34, 40, 37, 34, 25, 22
  • 17, 39, 35, 25, 30, 36, 39, 30, 27, 30
  • 18, 39, 32, 18, 36, 42, 36, 36, 24, 18
span 1 {1 1 1}