Structure 4130221

4130220 << 4130221 >> 4130222
Original COD entry Download CIF Download DOT

Citation: Savage, Mathew; da Silva, Ivan; Johnson, Mark; Carter, Joseph H.; Newby, Ruth; Suyetin, Mikhail; Besley, Elena; Manuel, Pascal; Rudi\'c, Svemir; Fitch, Andrew N.; Murray, Claire; David, William I. F.; Yang, Sihai; Schr\"oder, Martin (2016). Observation of Binding and Rotation of Methane and Hydrogen within a Functional Metal-Organic Framework.. Journal of the American Chemical Society, 138, pp. 9119-9127.

Formula: C8 H4 D12.17 In O5

Cell parameters:

  • a = 15.49785(17) Å
  • b = 15.49785(17) Å
  • c = 12.3052(2) Å
  • α = 90°
  • β = 90°
  • γ = 90°

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: C64 H32 In8 O40 (C8 H4 In O5)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 5, 20, 24, 33, 40, 64
  • 1, 2, 4, 7, 7, 14, 17, 28, 44, 57
  • 1, 2, 10, 10, 16, 20, 38, 34, 56, 48
  • 2, 7, 9, 16, 17, 31, 31, 55, 51, 76
  • 2, 7, 9, 16, 17, 31, 31, 56, 50, 72
  • 3, 4, 7, 5, 20, 24, 33, 40, 64, 61
  • 3, 4, 7, 7, 14, 17, 28, 44, 57, 56
  • 3, 4, 13, 13, 20, 24, 46, 43, 63, 64
  • 3, 6, 5, 14, 16, 27, 33, 50, 55, 78
  • 3, 6, 7, 8, 9, 22, 38, 46, 47, 77
  • 3, 10, 10, 16, 20, 38, 34, 56, 48, 82
  • 6, 8, 14, 16, 30, 28, 50, 45, 72, 70
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