Structure 2243506

2243505 << 2243506 >> 2243516
Original COD entry Download CIF Download DOT

Citation: Wheaton, Amelia M.; Guzei, Ilia A.; Berry, John F. (2020). Structural diversity in copper(I) iodide complexes with 6-thioxopiperidin-2-one, piperidine-2,6-dithione and isoindoline-1,3-dithione ligands. Acta Crystallographica Section E, 76, pp. 1336-1344.

Formula: C8 H5 Cu I N S2

Chemical name: Poly[(\m-isoindoline-1,3-dithione-\k^2^<i>S</i>:<i>S</i>)copper(I)]-\m~3~-iodido]

Cell parameters:

  • a = 15.174(5) Å
  • b = 4.1188(16) Å
  • c = 15.785(6) Å
  • α = 90°
  • β = 92.98(2)°
  • γ = 90°

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 2

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

Dimensionality: 2

Formula: C16 H10 Cu2 I2 N2 S4 (C8 H5 Cu I N S2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 3, 4, 6, 11, 18
  • 1, 2, 4, 4, 10, 8, 16, 20, 34, 42
  • 1, 2, 4, 5, 4, 4, 6, 11, 18, 28
  • 2, 5, 7, 12, 14, 22, 29, 40, 45, 52
  • 2, 6, 6, 14, 22, 30, 38, 44, 42, 50
  • 3, 4, 3, 3, 3, 4, 6, 11, 18, 28
  • 3, 4, 4, 10, 8, 16, 20, 34, 42, 58
  • 3, 4, 5, 4, 4, 6, 11, 18, 28, 38
  • 3, 5, 7, 7, 12, 13, 26, 34, 46, 53
  • 3, 6, 6, 5, 6, 11, 18, 28, 38, 50
  • 4, 4, 10, 14, 22, 30, 38, 40, 46, 50
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: C16 H10 Cu2 I2 N2 S4 (C8 H5 Cu I N S2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 3, 4, 6, 11, 18
  • 1, 2, 4, 4, 10, 8, 16, 20, 34, 42
  • 1, 2, 4, 5, 4, 4, 6, 11, 18, 28
  • 2, 5, 7, 12, 14, 22, 29, 40, 45, 52
  • 2, 6, 6, 14, 22, 30, 38, 44, 42, 50
  • 3, 4, 3, 3, 3, 4, 6, 11, 18, 28
  • 3, 4, 4, 10, 8, 16, 20, 34, 42, 58
  • 3, 4, 5, 4, 4, 6, 11, 18, 28, 38
  • 3, 5, 7, 7, 12, 13, 26, 34, 46, 53
  • 3, 6, 6, 5, 6, 11, 18, 28, 38, 50
  • 4, 4, 10, 14, 22, 30, 38, 40, 46, 50
span 1 {1 1 1}