Structure 9014453

9014452 << 9014453 >> 9014454
Original COD entry Download CIF Download DOT

Citation: Gutt, C.; Asmussen, B.; Press, W.; Johnson, M. R.; Handa, Y. P.; Tse, J. S. (2000). The structure of deuterated methane-hydrate Note: T = 2 K. Journal of Chemical Physics, 113, pp. 4713-4721.

Formula: C4 H46 O23

Cell parameters:

  • a = 11.821 Å
  • b = 11.821 Å
  • c = 11.821 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: H184 O46 (H4 O)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 3, 9, 9, 9, 27, 16, 16
  • 2, 4, 5, 5, 9, 15, 12, 20, 24, 20
  • 2, 4, 5, 5, 9, 15, 13, 23, 28, 22
  • 2, 4, 6, 5, 11, 12, 12, 20, 24, 20
  • 2, 4, 6, 5, 11, 13, 13, 25, 28, 22
  • 2, 4, 6, 6, 12, 15, 12, 18, 24, 24
  • 4, 3, 3, 9, 9, 9, 27, 16, 16, 48
  • 4, 4, 4, 12, 8, 8, 24, 16, 16, 48
  • 4, 4, 4, 12, 9, 9, 27, 18, 18, 54
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