Structure 4504204

4504203 << 4504204 >> 4504205
Original COD entry Download CIF Download DOT

Citation: Won, Tae-Jin; Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C. (2007). Cobalt(II), Copper(II), and Zinc(II) Framework Systems Derived from Ditopic Pyridyl-Acetylacetone and Pyridyl-Pyrazole Ligands. Crystal Growth & Design, 7, pp. 972-.

Formula: C21 H22 Cl3 Cu N2 O4.5 S2

Chemical name: ?

Cell parameters:

  • a = 11.0421(9) Å
  • b = 14.8315(12) Å
  • c = 17.5303(15) Å
  • α = 90.00°
  • β = 102.1900(10)°
  • γ = 90.00°

List type: interleaving

List: 1-2D

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 4

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

Dimensionality: 2

Formula: C40 H40 Cu2 N4 O8 S4 (C20 H20 Cu N2 O4 S2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 2

Formula: C40 H40 Cu2 N4 O8 S4 (C20 H20 Cu N2 O4 S2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (1;0;1)

Dimensionality: 1

Formula: C12 H12 Cl36 O4 (C3 H3 Cl9 O)

Coordination sequences:

  • 1, 10, 9, 8, 18, 8, 10, 13, 8, 13
  • 3, 7, 20, 9, 11, 11, 7, 12, 14, 9
  • 4, 10, 8, 10, 13, 8, 13, 12, 8, 10
  • 4, 10, 10, 11, 15, 7, 16, 9, 7, 16
  • 4, 12, 8, 11, 15, 7, 16, 9, 7, 16
  • 4, 17, 12, 6, 18, 10, 8, 14, 8, 6
  • 5, 10, 9, 11, 15, 7, 16, 9, 7, 16
  • 5, 13, 7, 16, 9, 7, 16, 9, 7, 16
  • 6, 13, 16, 8, 14, 8, 6, 18, 10, 8
  • 7, 12, 12, 8, 14, 13, 12, 8, 10, 13
  • 7, 14, 13, 12, 8, 10, 13, 8, 13, 12
  • 8, 17, 8, 6, 18, 10, 8, 14, 8, 6
  • 10, 10, 11, 8, 14, 13, 12, 8, 10, 13
  • 11, 9, 8, 18, 8, 10, 13, 8, 13, 12
  • 11, 10, 11, 13, 8, 13, 12, 8, 10, 13
  • 11, 11, 10, 13, 8, 13, 12, 8, 10, 13
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (1;0;1)

Dimensionality: 1

Formula: C12 H12 Cl36 O4 (C3 H3 Cl9 O)

Coordination sequences:

  • 1, 10, 9, 8, 18, 8, 10, 13, 8, 13
  • 3, 7, 20, 9, 11, 11, 7, 12, 14, 9
  • 4, 10, 8, 10, 13, 8, 13, 12, 8, 10
  • 4, 10, 10, 11, 15, 7, 16, 9, 7, 16
  • 4, 12, 8, 11, 15, 7, 16, 9, 7, 16
  • 4, 17, 12, 6, 18, 10, 8, 14, 8, 6
  • 5, 10, 9, 11, 15, 7, 16, 9, 7, 16
  • 5, 13, 7, 16, 9, 7, 16, 9, 7, 16
  • 6, 13, 16, 8, 14, 8, 6, 18, 10, 8
  • 7, 12, 12, 8, 14, 13, 12, 8, 10, 13
  • 7, 14, 13, 12, 8, 10, 13, 8, 13, 12
  • 8, 17, 8, 6, 18, 10, 8, 14, 8, 6
  • 10, 10, 11, 8, 14, 13, 12, 8, 10, 13
  • 11, 9, 8, 18, 8, 10, 13, 8, 13, 12
  • 11, 10, 11, 13, 8, 13, 12, 8, 10, 13
  • 11, 11, 10, 13, 8, 13, 12, 8, 10, 13
span 1 {1 1 1}