Structure 7106667

7106666 << 7106667 >> 7106668
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: C27 H31 N O22 Sc3

Cell parameters:

  • a = 15.352(2) Å
  • b = 12.3850(10) Å
  • c = 46.027(8) 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: C192 H96 O120 Sc24 (C8 H4 O5 Sc)

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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