Structure 4129038

4129037 << 4129038 >> 4129048
Original COD entry Download CIF Download DOT

Citation: Aubrey, Michael L.; Kapelewski, Matthew T.; Melville, Jonathan F.; Oktawiec, Julia; Presti, Davide; Gagliardi, Laura; Long, Jeffrey R. (2019). Chemiresistive Detection of Gaseous Hydrocarbons and Interrogation of Charge Transport in Cu[Ni(2,3-pyrazinedithiolate)2] by Gas Adsorption.. Journal of the American Chemical Society, 141, pp. 5005-5013.

Formula: C2.4 H1.81 Cu0.25 N Ni0.25 S

Cell parameters:

  • a = 6.8342(9) Å
  • b = 6.8342(9) Å
  • c = 16.0964(18) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

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 1

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

Dimensionality: 3

Formula: C16 H8 Cu2 N8 Ni2 S8 (C8 H4 Cu N4 Ni S4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 6, 11, 20, 26, 23, 28, 46
  • 2, 5, 5, 8, 14, 26, 36, 44, 41, 49
  • 3, 4, 6, 11, 20, 26, 23, 28, 46, 74
  • 3, 5, 8, 12, 20, 28, 29, 35, 57, 81
  • 3, 7, 10, 15, 17, 17, 31, 43, 65, 83
  • 4, 4, 4, 8, 16, 24, 48, 46, 28, 52
  • 4, 8, 16, 16, 12, 20, 32, 62, 72, 64
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