Structure 4130171

4130170 << 4130171 >> 4130172
Original COD entry Download CIF Download DOT

Citation: Qin, Jun-Sheng; Du, Dong-Ying; Li, Mian; Lian, Xi-Zhen; Dong, Long-Zhang; Bosch, Mathieu; Su, Zhong-Min; Zhang, Qiang; Li, Shun-Li; Lan, Ya-Qian; Yuan, Shuai; Zhou, Hong-Cai (2016). Derivation and Decoration of Nets with Trigonal-Prismatic Nodes: A Unique Route to Reticular Synthesis of Metal-Organic Frameworks.. Journal of the American Chemical Society, 138, pp. 5299-5307.

Formula: C26 H20 N10 O12 S3 Zn4

Cell parameters:

  • a = 24.7750(16) Å
  • b = 24.7750(16) Å
  • c = 31.869(2) Å
  • α = 90.0000(10)°
  • β = 90.0000(10)°
  • γ = 120.0000(10)°

List type: interleaving

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 2

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

Dimensionality: 3

Formula: C96 H48 N36 O48 S12 Zn16 (C24 H12 N9 O12 S3 Zn4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 6, 7, 11, 10, 14, 13, 21
  • 1, 2, 4, 3, 3, 4, 8, 14, 18, 20
  • 1, 2, 4, 3, 4, 10, 17, 23, 26, 17
  • 1, 2, 4, 5, 11, 11, 13, 14, 14, 12
  • 2, 4, 6, 2, 6, 10, 18, 18, 22, 16
  • 2, 4, 6, 4, 16, 18, 28, 22, 14, 12
  • 2, 5, 7, 12, 11, 13, 9, 15, 17, 27
  • 2, 5, 8, 14, 12, 13, 12, 20, 16, 21
  • 2, 7, 11, 16, 15, 12, 12, 17, 17, 16
  • 3, 3, 6, 7, 11, 10, 14, 13, 21, 21
  • 3, 4, 3, 3, 4, 8, 14, 18, 20, 19
  • 3, 4, 3, 4, 10, 17, 23, 26, 17, 13
  • 3, 4, 5, 11, 11, 13, 14, 14, 12, 11
  • 3, 4, 11, 11, 16, 14, 19, 17, 18, 15
  • 3, 5, 3, 5, 6, 12, 14, 20, 17, 23
  • 3, 5, 4, 10, 11, 22, 21, 23, 16, 11
  • 3, 7, 10, 12, 12, 15, 13, 13, 11, 16
  • 3, 9, 13, 11, 15, 14, 14, 12, 11, 16
  • 4, 6, 11, 11, 14, 10, 14, 13, 21, 18
  • 6, 9, 15, 15, 12, 12, 12, 13, 18, 15
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: C96 H48 N36 O48 S12 Zn16 (C24 H12 N9 O12 S3 Zn4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 6, 7, 11, 10, 14, 13, 21
  • 1, 2, 4, 3, 3, 4, 8, 14, 18, 20
  • 1, 2, 4, 3, 4, 10, 17, 23, 26, 17
  • 1, 2, 4, 5, 11, 11, 13, 14, 14, 12
  • 2, 4, 6, 2, 6, 10, 18, 18, 22, 16
  • 2, 4, 6, 4, 16, 18, 28, 22, 14, 12
  • 2, 5, 7, 12, 11, 13, 9, 15, 17, 27
  • 2, 5, 8, 14, 12, 13, 12, 20, 16, 21
  • 2, 7, 11, 16, 15, 12, 12, 17, 17, 16
  • 3, 3, 6, 7, 11, 10, 14, 13, 21, 21
  • 3, 4, 3, 3, 4, 8, 14, 18, 20, 19
  • 3, 4, 3, 4, 10, 17, 23, 26, 17, 13
  • 3, 4, 5, 11, 11, 13, 14, 14, 12, 11
  • 3, 4, 11, 11, 16, 14, 19, 17, 18, 15
  • 3, 5, 3, 5, 6, 12, 14, 20, 17, 23
  • 3, 5, 4, 10, 11, 22, 21, 23, 16, 11
  • 3, 7, 10, 12, 12, 15, 13, 13, 11, 16
  • 3, 9, 13, 11, 15, 14, 14, 12, 11, 16
  • 4, 6, 11, 11, 14, 10, 14, 13, 21, 18
  • 6, 9, 15, 15, 12, 12, 12, 13, 18, 15
span 1 {1 1 1}