Structure 4130450

4130449 << 4130450 >> 4130451
Original COD entry Download CIF Download DOT

Citation: Xiao, Dianne J.; Gonzalez, Miguel I.; Darago, Lucy E.; Vogiatzis, Konstantinos D.; Haldoupis, Emmanuel; Gagliardi, Laura; Long, Jeffrey R. (2016). Selective, Tunable O2 Binding in Cobalt(II)-Triazolate/Pyrazolate Metal-Organic Frameworks.. Journal of the American Chemical Society, 138, pp. 7161-7170.

Formula: C109.02 H71.02 Cl3 Co13.44 N63.98 O5.04

Cell parameters:

  • a = 18.6522(5) Å
  • b = 18.6522(5) Å
  • c = 18.6522(5) 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: C120 H72 Cl3 Co36 N96 O12 (C40 H24 Cl Co12 N32 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 11, 13, 12, 28, 48, 68, 62
  • 1, 2, 6, 11, 19, 28, 34, 31, 28, 40
  • 1, 5, 15, 29, 28, 22, 20, 20, 52, 58
  • 2, 4, 11, 16, 23, 28, 40, 39, 33, 54
  • 3, 4, 11, 13, 12, 28, 48, 68, 62, 54
  • 3, 6, 11, 19, 28, 34, 31, 28, 40, 81
  • 3, 7, 12, 21, 29, 35, 32, 32, 47, 77
  • 3, 8, 9, 13, 23, 30, 51, 65, 69, 58
  • 4, 11, 17, 27, 29, 21, 27, 33, 48, 76
  • 4, 20, 32, 32, 8, 16, 32, 24, 72, 88
  • 5, 8, 8, 14, 31, 41, 31, 38, 66, 78
  • 6, 15, 29, 28, 22, 20, 20, 52, 58, 58
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