Structure 1546835

1546834 << 1546835 >> 1546839
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: C9 H3 Hf3 O13 S6

Cell parameters:

  • a = 34.901(3) Å
  • b = 34.901(3) Å
  • c = 34.901(3) 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: C288 H96 Hf96 O512 S192 (C9 H3 Hf3 O16 S6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 5, 32, 32, 55, 28, 36
  • 2, 4, 16, 28, 9, 10, 20, 20, 26, 24
  • 2, 12, 19, 22, 14, 14, 17, 49, 41, 67
  • 3, 4, 7, 5, 32, 32, 55, 28, 36, 20
  • 3, 4, 19, 18, 25, 11, 41, 40, 56, 21
  • 3, 6, 5, 20, 19, 50, 37, 49, 19, 28
  • 3, 10, 19, 17, 13, 13, 16, 25, 21, 61
  • 3, 21, 12, 19, 9, 15, 15, 27, 18, 69
  • 3, 24, 25, 8, 11, 22, 19, 28, 21, 100
  • 11, 19, 19, 13, 13, 16, 25, 21, 61, 45
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