Structure 4130455

4130454 << 4130455 >> 4130456
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: C201 H123 Cl6 Co27.26 N144 O9

Cell parameters:

  • a = 37.0668(10) Å
  • b = 37.0668(10) Å
  • c = 37.0668(10) 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: C960 H576 Cl24 Co288 N768 O96 (C40 H24 Cl Co12 N32 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 11, 13, 14, 28, 49, 66, 64
  • 1, 2, 6, 11, 20, 27, 34, 31, 30, 40
  • 1, 5, 15, 29, 28, 22, 20, 20, 52, 58
  • 2, 3, 8, 14, 22, 29, 33, 38, 36, 46
  • 2, 6, 12, 20, 28, 33, 31, 30, 40, 81
  • 3, 4, 11, 13, 14, 28, 49, 66, 64, 51
  • 3, 4, 11, 15, 24, 28, 39, 39, 36, 54
  • 3, 6, 11, 20, 27, 34, 31, 30, 40, 81
  • 3, 8, 9, 14, 23, 32, 50, 66, 66, 60
  • 3, 8, 12, 21, 28, 36, 31, 34, 47, 78
  • 4, 7, 11, 22, 29, 34, 32, 34, 46, 79
  • 4, 11, 17, 28, 28, 21, 27, 33, 50, 75
  • 4, 11, 18, 26, 29, 21, 27, 33, 50, 76
  • 4, 20, 32, 32, 8, 16, 32, 24, 72, 88
  • 5, 8, 9, 14, 31, 40, 34, 37, 66, 76
  • 6, 15, 29, 28, 22, 20, 20, 52, 58, 64
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