Structure 1560103

1559965 << 1560103 >> 1560104
Original COD entry Download CIF Download DOT

Citation: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Ca\~nadillas-Delgado, Laura; Cliffe, Matthew J. (2021). Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}. Chemical Science, 12, pp. 3516-3525.

Formula: C4 H2.67 Bi0.67 N4.67 Ni0.67 S4

Chemical name: Ammonium nickel hexathiocyanatobismuthate

Cell parameters:

  • a = 8.44100(10) Å
  • b = 8.68990(10) Å
  • c = 11.8177(2) Å
  • α = 97.5740(10)°
  • β = 92.1370(10)°
  • γ = 91.8170(10)°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: C12 Bi2 N12 Ni2 S12 (C6 Bi N6 Ni S6)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 10, 10, 10, 10, 50, 46, 42, 26
  • 2, 6, 6, 10, 10, 30, 30, 46, 34, 78
  • 6, 6, 6, 6, 30, 30, 30, 18, 78, 78
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