Structure 7103172

7103163 << 7103172 >> 7103189
Original COD entry Download CIF Download DOT

Citation: Zhou, Wei-Wei; Chen, Jiu-Tong; Xu, Gang; Wang, Ming-Sheng; Zou, Jian-Ping; Long, Xi-Fa; Wang, Guo-Jian; Guo, Guo-Cong; Huang, Jin-Shun (2008). Nonlinear optical and ferroelectric properties of a 3-D Cd(II) triazolate complex with a novel (6(3))2(6(10) x 8(5)) topology.. Chemical communications (Cambridge, England), , pp. 2762-2764.

Formula: C8 H6 Cd N12 O0

Chemical name: Cd(C4N6H3)2

Cell parameters:

  • a = 16.024(5) Å
  • b = 18.856(6) Å
  • c = 7.319(2) 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: C64 H48 Cd8 N96 (C8 H6 Cd N12)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 4, 8, 17, 32, 38, 61, 87
  • 1, 2, 4, 8, 13, 24, 27, 60, 78, 113
  • 1, 2, 4, 11, 22, 37, 24, 61, 90, 143
  • 2, 4, 7, 12, 20, 19, 49, 78, 106, 109
  • 2, 4, 9, 19, 28, 33, 50, 81, 116, 149
  • 3, 3, 4, 8, 17, 32, 38, 61, 87, 136
  • 3, 4, 8, 13, 24, 27, 60, 78, 113, 130
  • 3, 4, 11, 22, 37, 24, 61, 90, 143, 132
  • 3, 5, 11, 16, 31, 38, 56, 82, 126, 148
  • 3, 6, 4, 12, 25, 43, 40, 71, 111, 159
  • 3, 8, 12, 19, 15, 41, 68, 108, 99, 162
  • 3, 8, 12, 24, 26, 46, 58, 104, 121, 185
  • 3, 9, 13, 25, 22, 49, 67, 110, 109, 179
  • 6, 12, 20, 14, 36, 56, 92, 94, 160, 166
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