Structure 7106669

7106668 << 7106669 >> 7106687
Original COD entry Download CIF Download DOT

Citation: Ilich A. Ibarra; Sihai Yang; Xiang Lin; Alexander J. Blake; Pierre J. Rizkallah; Harriott Nowell; David R. Allan; Neil R. Champness; Peter Hubberstey; Martin Schroder (2011). Highly Porous and Robust Scandium-based Metal-Organic Frameworks for Hydrogen Storage. Chem.Commun., 47, pp. 8304-.

Formula: C16 H10.5 O11.25 Sc2

Cell parameters:

  • a = 15.347(5) Å
  • b = 15.347(5) Å
  • c = 12.3845(5) 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: C64 H24 O40 Sc8 (C8 H3 O5 Sc)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 5, 20, 18, 33, 36, 64
  • 1, 2, 4, 7, 7, 14, 14, 28, 39, 52
  • 2, 7, 7, 16, 15, 31, 29, 55, 46, 76
  • 2, 7, 7, 16, 15, 31, 29, 56, 45, 72
  • 2, 10, 8, 16, 18, 38, 32, 56, 46, 82
  • 3, 4, 7, 5, 20, 18, 33, 36, 64, 57
  • 3, 4, 7, 7, 14, 14, 28, 39, 52, 54
  • 3, 4, 13, 10, 20, 22, 46, 38, 63, 60
  • 3, 6, 5, 14, 13, 27, 28, 50, 51, 75
  • 3, 6, 7, 8, 9, 22, 32, 40, 45, 75
  • 6, 6, 14, 14, 30, 26, 50, 43, 72, 58
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