Structure 4112915

4112914 << 4112915 >> 4112944
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 O15.06 Zn3.01

Chemical name: {[Zn3(O)0.12[C4H4O(COO)4](OH)1.76(H2O)1.33} x [Zn(OH)2(H2O)4]0.06 x (~2.5H2O)

Cell parameters:

  • a = 20.7130(10) Å
  • b = 20.7130(10) Å
  • c = 20.7130(10) 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: C192 H96 O344 Zn100 (C48 H24 O86 Zn25)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 7, 14, 34, 65, 104, 143, 208, 293
  • 1, 3, 7, 15, 37, 57, 87, 134, 190, 258
  • 1, 3, 8, 9, 25, 72, 100, 128, 199, 276
  • 1, 3, 8, 10, 27, 62, 90, 123, 184, 253
  • 1, 9, 18, 29, 57, 96, 136, 180, 229, 325
  • 1, 11, 27, 47, 68, 95, 128, 183, 291, 433
  • 2, 10, 22, 40, 63, 99, 163, 217, 274, 351
  • 2, 10, 24, 40, 67, 100, 152, 220, 294, 358
  • 2, 10, 28, 48, 62, 95, 139, 208, 295, 399
  • 2, 10, 28, 48, 64, 96, 150, 229, 296, 395
  • 3, 5, 19, 38, 54, 101, 154, 200, 274, 360
  • 3, 6, 24, 38, 54, 91, 138, 184, 254, 349
  • 3, 6, 24, 48, 58, 99, 163, 224, 300, 403
  • 3, 7, 29, 48, 58, 96, 149, 207, 277, 389
  • 3, 14, 29, 42, 66, 108, 158, 218, 309, 420
  • 3, 15, 18, 36, 69, 108, 147, 195, 240, 354
  • 3, 15, 24, 43, 70, 107, 151, 197, 280, 366
  • 3, 15, 26, 42, 76, 113, 154, 207, 301, 377
  • 3, 16, 24, 45, 82, 124, 166, 215, 288, 385
  • 3, 17, 34, 51, 73, 104, 155, 234, 337, 450
  • 3, 17, 35, 56, 73, 106, 156, 228, 334, 454
  • 4, 7, 14, 34, 65, 104, 143, 208, 293, 384
  • 4, 7, 15, 37, 57, 87, 134, 190, 258, 351
  • 4, 8, 9, 25, 72, 100, 128, 199, 276, 364
  • 4, 8, 10, 27, 62, 90, 123, 184, 253, 340
  • 4, 26, 41, 61, 91, 132, 184, 267, 389, 487
  • 5, 19, 34, 53, 81, 109, 142, 213, 349, 501
  • 9, 21, 35, 60, 97, 140, 183, 272, 335, 431
  • 9, 27, 43, 63, 93, 128, 195, 288, 391, 488
  • 10, 18, 29, 57, 96, 136, 180, 229, 325, 411
  • 12, 27, 47, 68, 95, 128, 183, 291, 433, 525
  • 12, 30, 36, 66, 96, 120, 162, 264, 420, 558
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