Structure 7233563

7233529 << 7233563 >> 7233566
Original COD entry Download CIF Download DOT

Citation: Marek Szafranski (2012). Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns. Journal of Materials Chemistry C, 1, pp. 7904-7913.

Formula: C6 H19 Cl N2 O3

Chemical name: 1,4diazabicyclo[2.2.2]octane hydrochloride trihydrate

Cell parameters:

  • a = 5.2847(2) Å
  • b = 17.0040(13) Å
  • c = 12.0194(9) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

List: 2D

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;0;0 0;0;1)

Dimensionality: 2

Formula: Cl8 H12 O8 (Cl2 H3 O2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 9, 6, 18, 9, 24, 12, 33
  • 2, 6, 4, 12, 8, 22, 10, 28, 14, 36
  • 4, 3, 9, 6, 18, 9, 24, 12, 33, 15
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (1;0;0 0;0;1)

Dimensionality: 2

Formula: Cl8 H12 O8 (Cl2 H3 O2)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 9, 6, 18, 9, 24, 12, 33
  • 2, 6, 4, 12, 8, 22, 10, 28, 14, 36
  • 4, 3, 9, 6, 18, 9, 24, 12, 33, 15
span 1 {1 1 1}