Structure 4134375

4134374 << 4134375 >> 4134400
Original COD entry Download CIF Download DOT

Citation: Sorolla, 2nd, Maurice; Wang, Xiqu; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Jacobson, Allan J. (2020). Synthesis of the Elusive S = 1/2 Star Structure: A Possible Quantum Spin Liquid Candidate.. Journal of the American Chemical Society, 142, pp. 5013-5016.

Formula: C12 H50 Cu6 N6 O34.47 S8

Cell parameters:

  • a = 12.723(3) Å
  • b = 12.723(3) Å
  • c = 25.810(7) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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 3

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

Dimensionality: 2

Formula: Cu6 H2 O34 S8 (Cu3 H O17 S4)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 10, 7, 15, 6, 21, 27, 27
  • 1, 3, 3, 14, 21, 16, 15, 19, 36, 30
  • 1, 3, 12, 7, 16, 6, 21, 27, 27, 18
  • 2, 9, 10, 10, 11, 14, 26, 24, 24, 25
  • 2, 9, 12, 14, 19, 13, 26, 22, 35, 28
  • 2, 9, 12, 15, 19, 15, 25, 25, 32, 33
  • 2, 9, 14, 15, 18, 16, 23, 27, 37, 28
  • 4, 3, 10, 7, 15, 6, 21, 27, 27, 18
  • 4, 3, 14, 21, 16, 15, 19, 36, 30, 33
  • 4, 12, 7, 16, 6, 21, 27, 27, 18, 36
  • 7, 13, 11, 11, 14, 26, 24, 24, 25, 48
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

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

Dimensionality: 2

Formula: Cu6 H2 O34 S8 (Cu3 H O17 S4)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 10, 7, 15, 6, 21, 27, 27
  • 1, 3, 3, 14, 21, 16, 15, 19, 36, 30
  • 1, 3, 12, 7, 16, 6, 21, 27, 27, 18
  • 2, 9, 10, 10, 11, 14, 26, 24, 24, 25
  • 2, 9, 12, 14, 19, 13, 26, 22, 35, 28
  • 2, 9, 12, 15, 19, 15, 25, 25, 32, 33
  • 2, 9, 14, 15, 18, 16, 23, 27, 37, 28
  • 4, 3, 10, 7, 15, 6, 21, 27, 27, 18
  • 4, 3, 14, 21, 16, 15, 19, 36, 30, 33
  • 4, 12, 7, 16, 6, 21, 27, 27, 18, 36
  • 7, 13, 11, 11, 14, 26, 24, 24, 25, 48
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

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

Dimensionality: 2

Formula: Cu6 H2 O34 S8 (Cu3 H O17 S4)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 10, 7, 15, 6, 21, 27, 27
  • 1, 3, 3, 14, 21, 16, 15, 19, 36, 30
  • 1, 3, 12, 7, 16, 6, 21, 27, 27, 18
  • 2, 9, 10, 10, 11, 14, 26, 24, 24, 25
  • 2, 9, 12, 14, 19, 13, 26, 22, 35, 28
  • 2, 9, 12, 15, 19, 15, 25, 25, 32, 33
  • 2, 9, 14, 15, 18, 16, 23, 27, 37, 28
  • 4, 3, 10, 7, 15, 6, 21, 27, 27, 18
  • 4, 3, 14, 21, 16, 15, 19, 36, 30, 33
  • 4, 12, 7, 16, 6, 21, 27, 27, 18, 36
  • 7, 13, 11, 11, 14, 26, 24, 24, 25, 48
span 1 {1 1 1}