Structure 2015141

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Citation: Hu, Ning-Hai; Jia, Heng-Qing; Xu, Jing-Wei; Katsuyuki Aoki (2005). Interactions of thiamine with polymeric halogenocadmate anions in the organic--inorganic hybrid compound (thiaminium)[Cd~3~Br~4.4~Cl~3.6~]. Acta Crystallographica Section C, 61, pp. m538-m541.

Formula: C12 H18 Br4.41 Cd3 Cl3.59 N4 O S

Chemical name: poly[3-[(4-amino-2-methyl-5-pyrimidin-1-io)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium octa-\m-bromochloro(4.4/3.6)-tricadmate(II)

Cell parameters:

  • a = 7.7492(4) Å
  • b = 18.3881(10) Å
  • c = 18.6756(11) Å
  • α = 90.00°
  • β = 96.1870(10)°
  • γ = 90.00°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (1;0;0)

Dimensionality: 1

Formula: Br16 Cd6 Cl16 (Br8 Cd3 Cl8)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;0)

Dimensionality: 1

Formula: Br16 Cd6 Cl16 (Br8 Cd3 Cl8)

Multiplicity: 1

span 1 {1 1 1}