Structure 7226209

7226189 << 7226209 >> 7226232
Original COD entry Download CIF Download DOT

Citation: Gholivand, Khodayar; Farshadfar, Kaveh; Roe, S. Mark; Hosseini, Mahdieh; Gholami, Akram (2016). Investigation of structure-directing interactions within copper(i)thiocyanate complexes through X-ray analyses and non-covalent interaction (NCI) theoretical approach. CrystEngComm, 18, pp. 7104-.

Formula: C12 H9 Cu N4 O2 S

Cell parameters:

  • a = 15.7005(7) Å
  • b = 8.0099(4) Å
  • c = 10.3633(5) Å
  • α = 90°
  • β = 94.374(4)°
  • γ = 90°

List type: interleaving

List: 1D

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;0;1)

Dimensionality: 1

Formula: C24 H18 Cu2 N8 O4 S2 (C12 H9 Cu N4 O2 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C24 H18 Cu2 N8 O4 S2 (C12 H9 Cu N4 O2 S)

Multiplicity: 1

span 1 {1 1 1}