Structure 4510767

4510766 << 4510767 >> 4510768
Original COD entry Download CIF Download DOT

Citation: Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zo\'n, Jerzy; Clearfield, Abraham (2013). Probing Structural Changes in a Phosphonate-based Metal--Organic Framework Exhibiting Reversible Dehydration. Crystal Growth & Design, 13, pp. 2973-.

Formula: C12.5 H6 N0.5 O22 P6 Zn5

Chemical name: ?

Cell parameters:

  • a = 8.430(5) Å
  • b = 16.155(12) Å
  • c = 19.840(11) 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: C48 H24 O72 P24 Zn20 (C12 H6 O18 P6 Zn5)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 9, 7, 19, 17, 45, 45, 95
  • 1, 2, 4, 9, 8, 23, 18, 44, 45, 92
  • 2, 6, 7, 19, 22, 51, 45, 92, 67, 139
  • 2, 6, 8, 20, 18, 39, 30, 67, 55, 125
  • 2, 6, 8, 20, 19, 41, 36, 85, 63, 130
  • 2, 6, 8, 20, 19, 43, 37, 82, 61, 131
  • 3, 4, 9, 7, 19, 17, 45, 45, 95, 70
  • 3, 4, 9, 8, 23, 18, 44, 45, 92, 64
  • 3, 7, 6, 16, 15, 38, 37, 79, 61, 133
  • 3, 7, 7, 18, 14, 35, 32, 67, 55, 129
  • 3, 9, 9, 21, 20, 42, 31, 75, 65, 148
  • 4, 4, 12, 16, 40, 36, 76, 62, 120, 72
  • 4, 5, 13, 13, 32, 33, 73, 49, 108, 94
  • 4, 5, 14, 16, 33, 23, 58, 52, 112, 80
  • 4, 6, 15, 11, 28, 27, 53, 34, 90, 89
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