Structure 4334973

4334972 << 4334973 >> 4334982
Original COD entry Download CIF Download DOT

Citation: Keunil Hong; Woojeong Bak; Hyungphil Chun (2013). Unique Coordination-Based Heterometallic Approach for the Stoichiometric Inclusion of High-Valent Metal Ions in a Porous Metal-Organic Framework. Inorganic Chemistry, 52, pp. 5645-5647.

Formula: C27 H19 N O18 Ti Zn3

Chemical name: ?

Cell parameters:

  • a = 16.472(3) Å
  • b = 14.628(3) Å
  • c = 21.029(4) Å
  • α = 90.00°
  • β = 97.01(3)°
  • 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: C100 H44 O72 Ti4 Zn12 (C25 H11 O18 Ti Zn3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 12, 17, 24, 21, 35, 33, 27
  • 1, 2, 4, 5, 5, 10, 17, 27, 26, 37
  • 1, 2, 4, 5, 5, 10, 20, 38, 35, 42
  • 1, 2, 4, 5, 5, 10, 21, 26, 44, 52
  • 1, 2, 4, 5, 5, 11, 21, 21, 28, 35
  • 1, 2, 4, 5, 5, 11, 21, 21, 30, 35
  • 1, 2, 4, 6, 9, 13, 19, 29, 29, 40
  • 1, 2, 4, 6, 9, 14, 21, 27, 29, 39
  • 1, 2, 4, 6, 9, 14, 28, 33, 42, 50
  • 1, 3, 13, 10, 18, 19, 36, 29, 22, 40
  • 2, 6, 9, 20, 16, 28, 27, 34, 45, 44
  • 2, 6, 10, 24, 19, 27, 25, 33, 42, 40
  • 2, 7, 8, 16, 16, 17, 20, 31, 42, 48
  • 2, 7, 8, 18, 22, 24, 21, 30, 47, 53
  • 2, 7, 9, 15, 18, 18, 25, 35, 47, 52
  • 2, 7, 9, 15, 18, 18, 25, 35, 49, 54
  • 2, 7, 9, 15, 18, 18, 25, 40, 49, 55
  • 2, 7, 11, 15, 18, 24, 27, 32, 40, 43
  • 2, 7, 11, 15, 18, 24, 27, 33, 40, 39
  • 2, 7, 12, 14, 18, 24, 27, 33, 44, 46
  • 2, 7, 12, 17, 15, 22, 26, 30, 38, 38
  • 2, 7, 13, 16, 17, 24, 25, 29, 40, 35
  • 2, 8, 11, 16, 17, 30, 29, 28, 35, 38
  • 2, 8, 11, 18, 15, 22, 30, 32, 37, 42
  • 2, 8, 11, 18, 15, 22, 30, 33, 37, 38
  • 3, 3, 12, 17, 24, 21, 35, 33, 27, 44
  • 3, 4, 5, 5, 10, 17, 27, 26, 37, 41
  • 3, 4, 5, 5, 10, 17, 27, 26, 37, 44
  • 3, 4, 5, 5, 10, 20, 38, 35, 42, 56
  • 3, 4, 5, 5, 10, 21, 26, 44, 52, 48
  • 3, 4, 5, 5, 11, 21, 21, 28, 35, 46
  • 3, 4, 5, 5, 11, 21, 21, 30, 35, 40
  • 3, 4, 6, 9, 13, 19, 29, 29, 40, 49
  • 3, 4, 6, 9, 14, 21, 27, 29, 39, 46
  • 3, 4, 6, 9, 14, 28, 33, 42, 50, 53
  • 3, 4, 12, 11, 16, 19, 28, 33, 40, 46
  • 3, 4, 12, 11, 16, 19, 29, 35, 37, 43
  • 3, 4, 12, 15, 26, 23, 25, 33, 48, 60
  • 3, 4, 12, 16, 16, 25, 37, 40, 42, 55
  • 3, 4, 13, 16, 14, 16, 24, 31, 35, 53
  • 3, 4, 13, 16, 14, 18, 26, 30, 32, 51
  • 3, 5, 9, 8, 13, 23, 24, 31, 40, 58
  • 3, 5, 9, 9, 15, 21, 24, 32, 40, 52
  • 3, 5, 9, 9, 17, 27, 36, 33, 47, 70
  • 3, 6, 5, 9, 14, 27, 29, 36, 39, 54
  • 3, 6, 5, 10, 14, 19, 24, 38, 38, 42
  • 3, 6, 5, 10, 14, 20, 26, 36, 37, 40
  • 3, 6, 5, 10, 15, 15, 22, 30, 37, 40
  • 3, 6, 5, 10, 15, 15, 24, 32, 34, 35
  • 3, 6, 5, 10, 19, 20, 34, 50, 48, 42
  • 3, 9, 11, 24, 18, 30, 28, 34, 40, 28
  • 3, 12, 15, 16, 17, 23, 25, 29, 47, 52
  • 4, 13, 10, 18, 19, 36, 29, 22, 40, 39
  • 5, 8, 18, 15, 30, 24, 30, 36, 31, 59
  • 6, 7, 14, 18, 19, 20, 29, 43, 49, 62
  • 6, 11, 12, 17, 26, 24, 29, 35, 33, 56
  • 7, 11, 15, 14, 24, 27, 29, 32, 32, 59
span 1 {1 1 1}