Structure 4505852

4505851 << 4505852 >> 4505870
Original COD entry Download CIF Download DOT

Citation: Papaefstathiou, Giannis S.; Tsohos, Alexandros; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Gatteschi, Dante; Perlepes, Spyros P. (2001). Crystal Engineering:  Stacking Interactions Control the Crystal Structures of Benzothiadiazole (btd) and Its Complexes with Copper(II) and Copper(I) Chlorides. Crystal Growth & Design, 1, pp. 191-.

Formula: C6 H4 Cl Cu N2 S

Chemical name: ?

Cell parameters:

  • a = 3.840(2) Å
  • b = 12.229(5) Å
  • c = 15.724(6) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

List: 2D

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 2

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

Dimensionality: 2

Formula: C12 H8 Cl2 Cu2 N4 S2 (C6 H4 Cl Cu N2 S)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 4, 7, 13, 23, 32
  • 1, 2, 4, 5, 5, 7, 13, 23, 32, 45
  • 2, 4, 8, 12, 20, 26, 40, 48, 58, 62
  • 2, 6, 10, 18, 26, 40, 38, 50, 54, 72
  • 3, 4, 3, 3, 4, 7, 13, 23, 32, 45
  • 3, 4, 5, 5, 7, 13, 23, 32, 45, 52
  • 3, 6, 7, 8, 13, 23, 32, 45, 52, 61
  • 3, 6, 8, 15, 19, 31, 37, 53, 53, 69
  • 4, 6, 12, 18, 30, 32, 44, 46, 62, 60
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: C12 H8 Cl2 Cu2 N4 S2 (C6 H4 Cl Cu N2 S)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 4, 7, 13, 23, 32
  • 1, 2, 4, 5, 5, 7, 13, 23, 32, 45
  • 2, 4, 8, 12, 20, 26, 40, 48, 58, 62
  • 2, 6, 10, 18, 26, 40, 38, 50, 54, 72
  • 3, 4, 3, 3, 4, 7, 13, 23, 32, 45
  • 3, 4, 5, 5, 7, 13, 23, 32, 45, 52
  • 3, 6, 7, 8, 13, 23, 32, 45, 52, 61
  • 3, 6, 8, 15, 19, 31, 37, 53, 53, 69
  • 4, 6, 12, 18, 30, 32, 44, 46, 62, 60
span 1 {1 1 1}