Structure 4112908

4112907 << 4112908 >> 4112909
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 H6 O15.67 Zn3.06

Chemical name: {[Zn3[C4H4O(COO)4](OH)2(H2O)1.33} x [Zn(OH)2(H2O)4]0.06 x (~3H2O)

Cell parameters:

  • a = 20.7929(3) Å
  • b = 20.7929(3) Å
  • c = 20.7929(3) 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 H144 O296 Zn72 (C24 H18 O37 Zn9)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 11, 15, 22, 32, 57, 63, 85, 126
  • 1, 3, 7, 11, 15, 34, 66, 80, 93, 112
  • 1, 3, 7, 12, 19, 32, 53, 72, 94, 120
  • 1, 3, 8, 9, 19, 40, 56, 74, 101, 126
  • 1, 3, 8, 10, 22, 35, 46, 73, 106, 126
  • 1, 3, 14, 17, 24, 36, 57, 70, 82, 108
  • 1, 8, 16, 19, 28, 42, 62, 78, 88, 126
  • 2, 7, 9, 19, 33, 56, 70, 87, 107, 147
  • 2, 7, 10, 18, 26, 46, 59, 86, 116, 147
  • 2, 7, 10, 24, 34, 51, 62, 84, 112, 159
  • 2, 7, 11, 24, 30, 46, 62, 90, 124, 158
  • 2, 8, 15, 25, 33, 46, 61, 83, 118, 161
  • 2, 8, 16, 27, 35, 47, 64, 99, 120, 148
  • 3, 5, 14, 22, 32, 51, 86, 92, 103, 145
  • 3, 5, 16, 22, 30, 48, 73, 91, 123, 158
  • 3, 6, 19, 24, 31, 45, 74, 91, 119, 155
  • 3, 6, 22, 26, 29, 44, 77, 103, 130, 153
  • 3, 11, 10, 15, 35, 67, 73, 87, 121, 169
  • 3, 11, 15, 22, 32, 57, 63, 85, 126, 165
  • 3, 13, 20, 27, 35, 53, 67, 101, 121, 178
  • 3, 14, 21, 26, 36, 55, 72, 92, 123, 182
  • 3, 15, 18, 24, 36, 54, 78, 78, 102, 162
  • 4, 7, 11, 15, 34, 66, 80, 93, 112, 155
  • 4, 7, 12, 19, 32, 53, 72, 94, 120, 159
  • 4, 8, 9, 19, 40, 56, 74, 101, 126, 151
  • 4, 8, 10, 22, 35, 46, 73, 106, 126, 150
  • 4, 14, 17, 24, 36, 57, 70, 82, 108, 175
  • 6, 8, 14, 22, 46, 55, 72, 95, 134, 175
  • 7, 13, 21, 29, 45, 50, 65, 102, 150, 174
  • 9, 16, 19, 28, 42, 62, 78, 88, 126, 196
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