Structure 7017457

7017454 << 7017457 >> 7017458
Original COD entry Download CIF Download DOT

Citation: Ouellette, Wayne; Darling, Kari; Prosvirin, Andrey; Whitenack, Kelly; Dunbar, Kim R.; Zubieta, Jon (2011). Syntheses, structural characterization and properties of transition metal complexes of 5,5'-(1,4-phenylene)bis(1H-tetrazole) (H(2)bdt), 5',5''-(1,1'-biphenyl)-4,4'-diylbis(1H-tetrazole) (H(2)dbdt) and 5,5',5''-(1,3,5-phenylene)tris(1H-tetrazole) (H(3)btt).. Dalton transactions (Cambridge, England : 2003), 40, pp. 12288-12300.

Formula: C3.23 H4.92 Cd0.25 Cl0.0625 N2.56 O0.6

Cell parameters:

  • a = 19.3273(3) Å
  • b = 19.3273(3) Å
  • c = 19.3273(3) 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: C72 H24 Cd12 Cl3 N96 O12 (C24 H8 Cd4 Cl N32 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 5, 6, 20, 26, 39, 30
  • 1, 5, 11, 19, 12, 12, 20, 20, 36, 28
  • 2, 4, 8, 15, 19, 16, 14, 22, 39, 52
  • 3, 4, 6, 12, 17, 19, 13, 30, 46, 47
  • 3, 4, 7, 5, 6, 20, 26, 39, 30, 38
  • 3, 6, 5, 7, 13, 16, 33, 33, 42, 38
  • 3, 8, 12, 18, 15, 13, 23, 25, 33, 45
  • 4, 20, 16, 8, 8, 16, 32, 24, 40, 32
  • 6, 11, 19, 12, 12, 20, 20, 36, 28, 34
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