Structure 1570269

1570268 << 1570269 >> 1570286
Original COD entry Download CIF Download DOT

Citation: Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong (2023). The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd4P2][CdBr4].. Chemical science, 14, pp. 13568-13573.

Formula: Br4 Cd5 P2

Cell parameters:

  • a = 12.1965(8) Å
  • b = 13.6691(10) Å
  • c = 7.7077(7) Å
  • α = 90°
  • β = 90°
  • γ = 90°

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: Br16 Cd20 P8 (Br4 Cd5 P2)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 12, 28, 44, 77, 93, 145, 165, 241
  • 3, 8, 16, 35, 52, 88, 102, 159, 178, 259
  • 3, 8, 21, 34, 63, 75, 118, 142, 216, 221
  • 3, 9, 17, 35, 53, 89, 104, 161, 181, 262
  • 3, 9, 19, 37, 51, 91, 109, 163, 177, 261
  • 4, 7, 17, 32, 62, 78, 123, 144, 217, 223
  • 4, 9, 22, 34, 60, 78, 125, 140, 212, 226
  • 4, 10, 23, 35, 64, 82, 131, 147, 213, 228
  • 4, 10, 23, 35, 64, 83, 132, 141, 211, 228
  • 4, 11, 21, 42, 56, 93, 112, 170, 185, 268
  • 4, 11, 21, 43, 57, 92, 109, 170, 183, 269
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