Structure 4123757

4123752 << 4123757 >> 4123874
Original COD entry Download CIF Download DOT

Citation: Chen, Hong; Ju, Jing; Meng, Qingpeng; Su, Jie; Lin, Cong; Zhou, Zhengyang; Li, Guobao; Wang, Weilu; Gao, Wenliang; Zeng, Chunmei; Tang, Chiu; Lin, Jianhua; Yang, Tao; Sun, Junliang (2015). PKU-3: An HCl-Inclusive Aluminoborate for Strecker Reaction Solved by Combining RED and PXRD.. Journal of the American Chemical Society, 137, pp. 7047-7050.

Formula: Al9 B18 Cl2 O65.24

Cell parameters:

  • a = 14.584380(14) Å
  • b = 14.584380(14) Å
  • c = 12.222620(17) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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: Al18 B36 O102 (Al3 B6 O17)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 5, 19, 18, 38, 38, 79, 93, 141
  • 2, 5, 5, 19, 23, 39, 45, 78, 88, 141
  • 2, 8, 12, 24, 21, 39, 54, 106, 104, 140
  • 2, 9, 11, 26, 28, 49, 57, 100, 98, 162
  • 2, 9, 12, 27, 30, 49, 59, 103, 111, 161
  • 2, 10, 14, 21, 28, 46, 71, 84, 113, 145
  • 2, 12, 18, 28, 22, 52, 80, 122, 106, 162
  • 3, 4, 13, 13, 29, 36, 61, 68, 120, 125
  • 3, 4, 16, 19, 27, 25, 67, 94, 121, 110
  • 3, 12, 12, 19, 23, 47, 64, 97, 105, 149
  • 4, 4, 16, 22, 36, 38, 70, 81, 123, 138
  • 7, 11, 21, 20, 39, 50, 94, 95, 140, 142
  • 8, 14, 16, 20, 36, 64, 78, 106, 122, 168
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