Structure 7202191

7202190 << 7202191 >> 7202192
Original COD entry Download CIF Download DOT

Citation: Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V. (2008). New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges. CrystEngComm, 10, pp. 1216-.

Formula: C20 H40 Br2 Cu N12 O12

Chemical name: Copper(II) Bromide 1:2 Complex with1,4-bi(1,2,4-triazol-4-yl)benzene, Dodecahydrate

Cell parameters:

  • a = 28.449(3) Å
  • b = 15.7732(17) Å
  • c = 7.2593(7) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

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 6

Basis: (0;0;1)

Dimensionality: 1

Formula: C64 H56 Br2 Cu2 N28 (C32 H28 Br Cu N14)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: C64 H56 Br2 Cu2 N28 (C32 H28 Br Cu N14)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: Br8 O4 (Br2 O)

Multiplicity: 1

Coordination sequences:

  • 4, 6, 6, 6, 6, 6, 6, 6, 6, 6
  • 6, 6, 6, 6, 6, 6, 6, 6, 6, 6
span 1 {1 1 1}

CIF datablock 3, entity 4 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: Br8 O4 (Br2 O)

Multiplicity: 1

Coordination sequences:

  • 4, 6, 6, 6, 6, 6, 6, 6, 6, 6
  • 6, 6, 6, 6, 6, 6, 6, 6, 6, 6
span 1 {1 1 1}

CIF datablock 4, entity 5 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: Br8 O4 (Br2 O)

Multiplicity: 1

Coordination sequences:

  • 4, 6, 6, 6, 6, 6, 6, 6, 6, 6
  • 6, 6, 6, 6, 6, 6, 6, 6, 6, 6
span 1 {1 1 1}

CIF datablock 5, entity 6 of 6

Basis: (0;0;1)

Dimensionality: 1

Formula: Br8 O4 (Br2 O)

Multiplicity: 1

Coordination sequences:

  • 4, 6, 6, 6, 6, 6, 6, 6, 6, 6
  • 6, 6, 6, 6, 6, 6, 6, 6, 6, 6
span 1 {1 1 1}