Structure 1514473

1514472 << 1514473 >> 1514495
Original COD entry Download CIF Download DOT

Citation: Shan, Xiao-chen; Jiang, Fei-long; Yuan, Da-qiang; Zhang, Hua-bin; Wu, Ming-yan; Chen, Lian; Wei, Jing; Zhang, Shu-quan; Pan, Jie; Hong, Mao-chun (2013). A multi-metal-cluster MOF with Cu4I4 and Cu6S6 as functional groups exhibiting dual emission with both thermochromic and near-IR character. Chemical Science, 4, pp. 1484-.

Formula: C7 H5 Cu2 I N4 S

Cell parameters:

  • a = 41.856(3) Å
  • b = 41.856(3) Å
  • c = 41.856(3) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: C672 H480 Cu192 I96 N384 S96 (C7 H5 Cu2 I N4 S)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 4, 8, 11, 17, 14, 18, 28
  • 1, 2, 4, 3, 9, 8, 11, 20, 19, 19
  • 1, 2, 4, 5, 5, 11, 12, 16, 22, 21
  • 1, 2, 4, 9, 5, 8, 16, 14, 17, 22
  • 1, 2, 4, 11, 9, 11, 20, 19, 19, 24
  • 2, 4, 4, 10, 14, 15, 19, 20, 23, 36
  • 3, 3, 4, 8, 11, 17, 14, 18, 28, 26
  • 3, 4, 3, 9, 8, 11, 20, 19, 19, 24
  • 3, 4, 5, 5, 11, 12, 16, 22, 21, 25
  • 3, 4, 9, 5, 8, 16, 14, 17, 22, 25
  • 3, 4, 11, 9, 11, 20, 19, 19, 24, 31
  • 3, 5, 10, 12, 16, 15, 23, 21, 30, 37
  • 3, 6, 7, 12, 12, 16, 22, 21, 25, 29
  • 3, 6, 9, 11, 17, 14, 18, 28, 26, 33
  • 3, 7, 7, 14, 13, 12, 15, 19, 29, 38
  • 3, 8, 11, 14, 13, 19, 20, 23, 36, 34
  • 3, 9, 14, 14, 14, 20, 20, 31, 29, 33
  • 3, 10, 7, 9, 16, 14, 17, 22, 25, 36
  • 5, 11, 13, 13, 16, 19, 24, 28, 31, 39
  • 7, 6, 10, 15, 12, 13, 17, 23, 34, 40
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