Structure 4112914

4112913 << 4112914 >> 4112915
Original COD entry Download CIF Download DOT

Citation: Kenneth Hanson; Nathalie Calin; Daniel Bugaris; Michael Scancella; Slavi C. Sevov (2004). Reversible Repositioning of Zinc Atoms within Single Crystals of a Zinc Polycarboxylate with an Open-Framework Structure. Journal of the American Chemical Society, 126, pp. 10502-10503.

Formula: C8 H4 O10.5 Zn3

Chemical name: Zn3(O)[C4H4O(COO)4](H2O)0.5

Cell parameters:

  • a = 20.4830(10) Å
  • b = 20.4830(10) Å
  • c = 20.4830(10) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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: C192 H96 O264 Zn76 (C48 H24 O66 Zn19)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 7, 14, 26, 39, 58, 75, 82, 98
  • 1, 3, 7, 14, 26, 39, 58, 75, 82, 99
  • 1, 3, 8, 9, 21, 46, 57, 69, 92, 86
  • 1, 3, 8, 9, 21, 46, 57, 69, 92, 87
  • 2, 7, 12, 25, 40, 52, 67, 74, 124, 177
  • 2, 7, 12, 25, 40, 52, 67, 74, 124, 180
  • 2, 7, 14, 25, 41, 46, 58, 76, 131, 180
  • 2, 7, 14, 25, 41, 46, 58, 76, 131, 181
  • 2, 10, 23, 36, 43, 52, 63, 93, 117, 181
  • 2, 10, 23, 36, 43, 52, 63, 93, 118, 185
  • 3, 5, 16, 26, 38, 61, 72, 72, 110, 141
  • 3, 5, 16, 26, 38, 61, 72, 72, 111, 146
  • 3, 6, 20, 33, 32, 56, 69, 71, 98, 168
  • 3, 6, 20, 33, 32, 56, 69, 71, 98, 170
  • 3, 14, 24, 29, 42, 63, 67, 87, 127, 177
  • 3, 16, 29, 35, 44, 47, 55, 81, 131, 210
  • 3, 16, 29, 35, 44, 47, 55, 81, 131, 211
  • 4, 7, 14, 26, 39, 58, 75, 82, 98, 125
  • 4, 7, 14, 26, 39, 58, 75, 82, 99, 128
  • 4, 8, 9, 21, 46, 57, 69, 92, 86, 108
  • 4, 8, 9, 21, 46, 57, 69, 92, 87, 115
  • 4, 21, 29, 40, 44, 46, 50, 77, 147, 244
  • 5, 17, 30, 44, 42, 42, 52, 54, 113, 240
  • 6, 11, 20, 37, 50, 50, 54, 115, 163, 187
  • 9, 22, 31, 42, 48, 46, 73, 109, 168, 254
  • 11, 25, 38, 42, 44, 47, 53, 95, 187, 291
  • 12, 24, 36, 48, 36, 48, 54, 54, 162, 294
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