Structure 4345462

4345461 << 4345462 >> 4345470
Original COD entry Download CIF Download DOT

Citation: Cheng, Qing; Han, Xiao; Tong, Yue; Huang, Chao; Ding, Jie; Hou, Hongwei (2017). Two 3D Cd(II) Metal-Organic Frameworks Linked by Benzothiadiazole Dicarboxylates: Fantastic S@Cd6 Cage, Benzothiadiazole Antidimmer, and Dual Emission.. Inorganic chemistry, 56, pp. 1696-1705.

Formula: C48 H30 Cd6 N12 O33 S7

Cell parameters:

  • a = 19.676(3) Å
  • b = 19.676(3) Å
  • c = 19.300(4) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

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: C144 H36 Cd18 N36 O72 S21 (C48 H12 Cd6 N12 O24 S7)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 5, 6, 13, 24, 39, 50, 53
  • 1, 2, 4, 5, 6, 14, 25, 39, 47, 52
  • 2, 3, 4, 12, 12, 37, 37, 52, 44, 59
  • 2, 3, 9, 12, 30, 25, 40, 37, 55, 58
  • 2, 8, 12, 31, 26, 28, 29, 35, 58, 39
  • 2, 8, 12, 32, 27, 29, 33, 39, 64, 44
  • 3, 4, 5, 6, 13, 24, 39, 50, 53, 56
  • 3, 4, 5, 6, 14, 25, 39, 47, 52, 56
  • 3, 4, 15, 16, 26, 26, 36, 42, 37, 69
  • 3, 4, 16, 18, 29, 31, 38, 50, 46, 65
  • 3, 5, 6, 11, 20, 39, 49, 47, 51, 56
  • 3, 6, 6, 12, 14, 27, 36, 47, 53, 46
  • 3, 6, 6, 14, 22, 35, 47, 51, 50, 47
  • 3, 6, 11, 11, 27, 35, 41, 48, 52, 65
  • 3, 10, 11, 29, 26, 30, 37, 43, 61, 40
  • 3, 14, 15, 29, 26, 35, 33, 28, 57, 42
  • 3, 14, 16, 31, 27, 33, 35, 32, 64, 48
  • 6, 30, 24, 24, 24, 42, 42, 18, 72, 66
  • 8, 11, 29, 25, 31, 29, 34, 49, 30, 94
span 1 {1 1 1}