Structure 4130448

4130444 << 4130448 >> 4130449
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: C140 H140 Cl3 Co14.4 N76 O14.4

Cell parameters:

  • a = 18.8345(7) Å
  • b = 18.8345(7) Å
  • c = 18.8345(7) 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 O24 (C40 H24 Cl Co12 N32 O8)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 11, 13, 15, 28, 48, 68, 70
  • 1, 2, 6, 11, 21, 30, 37, 37, 42, 54
  • 1, 5, 15, 29, 30, 28, 30, 34, 66, 72
  • 2, 4, 8, 22, 30, 42, 50, 58, 54, 72
  • 3, 4, 11, 13, 15, 28, 48, 68, 70, 66
  • 3, 5, 13, 20, 34, 40, 52, 55, 63, 71
  • 3, 6, 11, 21, 30, 37, 37, 42, 54, 90
  • 3, 8, 9, 15, 23, 31, 51, 69, 75, 74
  • 3, 8, 13, 24, 33, 43, 42, 52, 66, 92
  • 4, 11, 18, 29, 33, 30, 41, 51, 73, 93
  • 4, 20, 32, 32, 16, 24, 48, 40, 80, 96
  • 5, 8, 10, 16, 33, 43, 42, 48, 74, 84
  • 6, 15, 29, 30, 28, 30, 34, 66, 72, 96
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