Structure 1546834

1546788 << 1546834 >> 1546835
Original COD entry Download CIF Download DOT

Citation: Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang (2017). A new superacid hafnium-based metal--organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions. Catalysis Science & Technology, 7, pp. 4346-4350.

Formula: C12 H6 Hf3 O16

Cell parameters:

  • a = 34.9801(12) Å
  • b = 34.9801(12) Å
  • c = 34.9801(12) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

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: C384 H192 Hf96 O512 (C12 H6 Hf3 O16)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 16, 24, 11, 13, 20, 20, 26
  • 1, 2, 4, 7, 5, 28, 30, 55, 31, 37
  • 2, 11, 16, 17, 16, 13, 16, 25, 21, 54
  • 2, 11, 17, 22, 17, 14, 17, 45, 39, 67
  • 3, 2, 16, 24, 11, 13, 20, 20, 26, 24
  • 3, 4, 7, 5, 28, 30, 55, 31, 37, 22
  • 3, 4, 17, 17, 26, 13, 37, 38, 58, 25
  • 3, 6, 5, 18, 18, 47, 37, 51, 23, 28
  • 3, 18, 12, 22, 9, 15, 15, 27, 18, 60
  • 3, 21, 22, 12, 13, 22, 19, 28, 21, 84
  • 10, 17, 19, 16, 13, 16, 25, 21, 54, 43
span 1 {1 1 1}