Structure 1557765

1557752 << 1557765 >> 1557766
Original COD entry Download CIF Download DOT

Citation: Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P. (2020). The structures of ordered defects in thiocyanate analogues of Prussian Blue. Chemical Science, 11, pp. 4430-4438.

Formula: C12 Bi2 N12 S12 Zn3

Chemical name: zinc(II) hexathiocyantosbismuthate(III)

Cell parameters:

  • a = 26.3104(4) Å
  • b = 8.45870(10) Å
  • c = 15.7403(3) Å
  • α = 90°
  • β = 93.6300(10)°
  • γ = 90°

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: C48 Bi8 N48 S48 Zn12 (C12 Bi2 N12 S12 Zn3)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 8, 8, 8, 8, 30, 28, 26, 21
  • 2, 2, 8, 8, 8, 8, 30, 28, 26, 22
  • 2, 2, 8, 8, 8, 8, 30, 30, 30, 23
  • 2, 4, 4, 8, 8, 20, 20, 28, 24, 44
  • 2, 4, 4, 8, 8, 20, 20, 28, 25, 48
  • 2, 4, 4, 8, 8, 20, 20, 30, 27, 48
  • 2, 6, 6, 8, 8, 18, 18, 28, 22, 54
  • 2, 6, 6, 8, 8, 18, 18, 28, 24, 66
  • 2, 6, 6, 8, 8, 18, 18, 30, 26, 66
  • 4, 4, 4, 4, 20, 20, 20, 16, 44, 44
  • 4, 4, 4, 4, 20, 20, 20, 17, 48, 48
  • 6, 6, 6, 6, 18, 18, 18, 12, 54, 54
  • 6, 6, 6, 6, 18, 18, 18, 14, 66, 66
span 1 {1 1 1}