Structure 2022999

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Citation: Popovych, Anastasiia M.; Tsymbal, Liudmyla V.; Khomenko, Dmytro M.; Bargan, Alexandra; Lampeka, Yaroslaw D.; Lampeka, Rostislav D. (2024). Synthesis and crystal structure of a cadmium(II) coordination polymer based on 4,4'-(1H-1,2,4-triazole-3,5-di-yl)dibenzoate.. Acta crystallographica. Section E, Crystallographic communications, 80, pp. 128-132.

Formula: C26 H30 Cd N5 O9.5

Chemical name: <i>catena</i>-Poly[[[aquabis(pyridine-\k<i>N</i>)cadmium(II)]-\m~2~-4,4'-(1<i>H</i>-1,2,4-triazole-3,5-diyl)dibenzoato-\k^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] 4.5-hydrate]

Cell parameters:

  • a = 8.1674(5) Å
  • b = 12.3033(6) Å
  • c = 15.4877(8) Å
  • α = 75.226(5)°
  • β = 86.412(4)°
  • γ = 75.346(5)°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (1;-1;1)

Dimensionality: 1

Formula: C26 H21 Cd N5 O7 (C26 H21 Cd N5 O7)

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;-1;1)

Dimensionality: 1

Formula: C26 H21 Cd N5 O7 (C26 H21 Cd N5 O7)

span 1 {1 1 1}