Structure 7707045

7707044 << 7707045 >> 7707046
Original COD entry Download CIF Download DOT

Citation: Kobayashi, Daiya; Hamakawa, Akira; Yamaguchi, Yuki; Takahashi, Toshiaki; Yanagita, Mitsuhiro; Arai, Shigebumi; Minoura, Mao (2021). Broadened bioactivity and enhanced durability of two structurally distinct metal-organic frameworks containing Zn2+ ions and thiabendazole.. Dalton transactions (Cambridge, England : 2003), 50, pp. 7176-7180.

Formula: C30 H18 Cl N9 S3 Zn2

Cell parameters:

  • a = 10.3859(8) Å
  • b = 10.3859(8) Å
  • c = 24.7964(19) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: interleaving

List: 2D

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 3

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

Dimensionality: 2

Formula: C30 H18 Cl N9 S3 Zn2 (C30 H18 Cl N9 S3 Zn2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 4, 7, 13, 20, 20, 24, 30
  • 1, 2, 3, 7, 10, 15, 16, 19, 19, 28
  • 1, 2, 4, 3, 3, 5, 10, 19, 25, 30
  • 1, 2, 4, 3, 3, 7, 13, 19, 18, 24
  • 1, 2, 4, 5, 6, 10, 19, 25, 30, 32
  • 1, 2, 4, 5, 8, 13, 19, 18, 24, 30
  • 1, 3, 6, 12, 18, 30, 30, 36, 30, 36
  • 2, 4, 2, 6, 11, 17, 18, 22, 22, 36
  • 3, 3, 4, 7, 13, 20, 20, 24, 30, 36
  • 3, 3, 7, 10, 15, 16, 19, 19, 28, 44
  • 3, 4, 3, 3, 5, 10, 19, 25, 30, 32
  • 3, 4, 3, 3, 7, 13, 19, 18, 24, 30
  • 3, 4, 5, 6, 10, 19, 25, 30, 32, 34
  • 3, 4, 5, 8, 13, 19, 18, 24, 30, 36
  • 3, 6, 8, 11, 19, 25, 30, 32, 34, 36
  • 3, 6, 8, 13, 20, 20, 24, 30, 36, 48
  • 3, 6, 10, 14, 19, 18, 24, 30, 36, 48
  • 3, 6, 12, 17, 22, 22, 32, 30, 40, 44
  • 3, 7, 10, 18, 22, 32, 30, 36, 30, 40
  • 3, 9, 11, 15, 16, 19, 19, 28, 44, 60
  • 3, 9, 14, 21, 15, 20, 22, 36, 44, 64
  • 4, 6, 12, 18, 30, 30, 36, 30, 36, 30
  • 6, 12, 18, 15, 18, 15, 24, 36, 60, 60
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

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

Dimensionality: 2

Formula: C30 H18 Cl N9 S3 Zn2 (C30 H18 Cl N9 S3 Zn2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 4, 7, 13, 20, 20, 24, 30
  • 1, 2, 3, 7, 10, 15, 16, 19, 19, 28
  • 1, 2, 4, 3, 3, 5, 10, 19, 25, 30
  • 1, 2, 4, 3, 3, 7, 13, 19, 18, 24
  • 1, 2, 4, 5, 6, 10, 19, 25, 30, 32
  • 1, 2, 4, 5, 8, 13, 19, 18, 24, 30
  • 1, 3, 6, 12, 18, 30, 30, 36, 30, 36
  • 2, 4, 2, 6, 11, 17, 18, 22, 22, 36
  • 3, 3, 4, 7, 13, 20, 20, 24, 30, 36
  • 3, 3, 7, 10, 15, 16, 19, 19, 28, 44
  • 3, 4, 3, 3, 5, 10, 19, 25, 30, 32
  • 3, 4, 3, 3, 7, 13, 19, 18, 24, 30
  • 3, 4, 5, 6, 10, 19, 25, 30, 32, 34
  • 3, 4, 5, 8, 13, 19, 18, 24, 30, 36
  • 3, 6, 8, 11, 19, 25, 30, 32, 34, 36
  • 3, 6, 8, 13, 20, 20, 24, 30, 36, 48
  • 3, 6, 10, 14, 19, 18, 24, 30, 36, 48
  • 3, 6, 12, 17, 22, 22, 32, 30, 40, 44
  • 3, 7, 10, 18, 22, 32, 30, 36, 30, 40
  • 3, 9, 11, 15, 16, 19, 19, 28, 44, 60
  • 3, 9, 14, 21, 15, 20, 22, 36, 44, 64
  • 4, 6, 12, 18, 30, 30, 36, 30, 36, 30
  • 6, 12, 18, 15, 18, 15, 24, 36, 60, 60
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

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

Dimensionality: 2

Formula: C30 H18 Cl N9 S3 Zn2 (C30 H18 Cl N9 S3 Zn2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 4, 7, 13, 20, 20, 24, 30
  • 1, 2, 3, 7, 10, 15, 16, 19, 19, 28
  • 1, 2, 4, 3, 3, 5, 10, 19, 25, 30
  • 1, 2, 4, 3, 3, 7, 13, 19, 18, 24
  • 1, 2, 4, 5, 6, 10, 19, 25, 30, 32
  • 1, 2, 4, 5, 8, 13, 19, 18, 24, 30
  • 1, 3, 6, 12, 18, 30, 30, 36, 30, 36
  • 2, 4, 2, 6, 11, 17, 18, 22, 22, 36
  • 3, 3, 4, 7, 13, 20, 20, 24, 30, 36
  • 3, 3, 7, 10, 15, 16, 19, 19, 28, 44
  • 3, 4, 3, 3, 5, 10, 19, 25, 30, 32
  • 3, 4, 3, 3, 7, 13, 19, 18, 24, 30
  • 3, 4, 5, 6, 10, 19, 25, 30, 32, 34
  • 3, 4, 5, 8, 13, 19, 18, 24, 30, 36
  • 3, 6, 8, 11, 19, 25, 30, 32, 34, 36
  • 3, 6, 8, 13, 20, 20, 24, 30, 36, 48
  • 3, 6, 10, 14, 19, 18, 24, 30, 36, 48
  • 3, 6, 12, 17, 22, 22, 32, 30, 40, 44
  • 3, 7, 10, 18, 22, 32, 30, 36, 30, 40
  • 3, 9, 11, 15, 16, 19, 19, 28, 44, 60
  • 3, 9, 14, 21, 15, 20, 22, 36, 44, 64
  • 4, 6, 12, 18, 30, 30, 36, 30, 36, 30
  • 6, 12, 18, 15, 18, 15, 24, 36, 60, 60
span 1 {1 1 1}