Structure 4507522

4507521 << 4507522 >> 4507523
Original COD entry Download CIF Download DOT

Citation: Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan (2013). Zr- and Hf-Based Metal--Organic Frameworks: Tracking Down the Polymorphism. Crystal Growth & Design, 13, pp. 1231-.

Formula: C30 H10 Hf6 O32 S5

Chemical name: ?

Cell parameters:

  • a = 13.530(3) Å
  • b = 19.710(4) Å
  • c = 28.300(6) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
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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: C120 H40 Hf40 O128 S20 (C30 H10 Hf10 O32 S5)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 5, 19, 33, 36, 26, 34
  • 1, 2, 4, 3, 5, 19, 37, 35, 28, 37
  • 1, 2, 4, 3, 5, 19, 38, 35, 27, 37
  • 1, 2, 4, 3, 5, 20, 41, 34, 24, 37
  • 1, 2, 4, 3, 6, 18, 35, 31, 29, 34
  • 2, 4, 6, 6, 32, 42, 28, 28, 46, 44
  • 2, 4, 6, 6, 32, 44, 26, 28, 46, 44
  • 2, 4, 6, 6, 34, 48, 20, 28, 46, 44
  • 2, 4, 6, 7, 30, 38, 29, 26, 42, 44
  • 2, 9, 14, 23, 14, 18, 22, 25, 23, 63
  • 2, 10, 15, 23, 17, 17, 24, 38, 40, 61
  • 2, 11, 22, 18, 13, 22, 26, 21, 24, 67
  • 2, 12, 25, 14, 13, 22, 26, 21, 23, 69
  • 2, 12, 25, 15, 13, 23, 27, 20, 24, 68
  • 2, 12, 25, 20, 14, 22, 26, 35, 43, 80
  • 2, 12, 25, 20, 14, 22, 26, 36, 45, 76
  • 2, 12, 26, 19, 14, 22, 26, 35, 42, 81
  • 3, 4, 3, 5, 19, 33, 36, 26, 34, 43
  • 3, 4, 3, 5, 19, 37, 35, 28, 37, 45
  • 3, 4, 3, 5, 19, 38, 35, 27, 37, 45
  • 3, 4, 3, 5, 20, 41, 34, 24, 37, 45
  • 3, 4, 3, 6, 18, 35, 31, 29, 34, 43
  • 3, 5, 5, 17, 22, 31, 33, 34, 35, 40
  • 3, 5, 5, 18, 24, 30, 35, 37, 36, 41
  • 3, 5, 5, 18, 25, 29, 36, 36, 36, 41
  • 3, 5, 5, 19, 27, 27, 38, 33, 36, 41
  • 3, 5, 6, 17, 23, 28, 31, 37, 35, 40
  • 3, 5, 18, 20, 18, 17, 36, 42, 32, 35
  • 3, 5, 19, 23, 16, 17, 39, 43, 32, 37
  • 3, 5, 19, 24, 15, 17, 39, 44, 31, 38
  • 3, 5, 20, 26, 12, 17, 40, 46, 28, 37
  • 3, 6, 18, 22, 15, 16, 36, 40, 35, 35
  • 3, 11, 14, 25, 14, 17, 23, 38, 38, 64
  • 3, 11, 15, 24, 14, 17, 23, 39, 41, 61
  • 3, 13, 22, 20, 13, 21, 27, 35, 43, 64
  • 3, 13, 22, 20, 13, 21, 28, 34, 40, 65
  • 3, 14, 25, 16, 13, 21, 27, 34, 38, 70
  • 3, 14, 25, 16, 13, 21, 27, 36, 44, 62
  • 3, 14, 25, 17, 13, 22, 28, 34, 43, 65
  • 5, 20, 19, 14, 17, 27, 23, 20, 28, 121
  • 5, 21, 21, 11, 17, 27, 23, 20, 27, 123
  • 5, 23, 21, 10, 18, 28, 22, 20, 29, 133
  • 5, 23, 21, 10, 18, 28, 22, 20, 29, 134
  • 9, 15, 21, 17, 18, 22, 25, 23, 63, 110
  • 9, 15, 21, 17, 18, 22, 25, 23, 65, 114
  • 9, 15, 21, 17, 18, 22, 25, 24, 63, 111
  • 9, 15, 25, 13, 18, 22, 25, 24, 63, 111
  • 9, 16, 23, 14, 18, 22, 25, 23, 63, 110
  • 11, 24, 18, 13, 22, 26, 21, 24, 67, 165
  • 11, 25, 18, 14, 23, 25, 21, 24, 83, 171
  • 11, 26, 16, 12, 22, 28, 20, 22, 57, 172
  • 12, 27, 14, 13, 22, 26, 21, 23, 69, 166
span 1 {1 1 1}