Structure 4508324

4508314 << 4508324 >> 4508327
Original COD entry Download CIF Download DOT

Citation: Durka, Krzysztof; Jarzembska, Katarzyna N.; Kami\'nski, Rados\/law; Luli\'nski, Sergiusz; Serwatowski, Janusz; Wo\'zniak, Krzysztof (2013). Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters. Crystal Growth & Design, 13, pp. 4181-.

Formula: C6 H8 B2 O4

Chemical name: 1,2-phenylenediboronic acid

Cell parameters:

  • a = 29.4749(7) Å
  • b = 29.4749(7) Å
  • c = 6.1687(3) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C36 H72 B12 O24 (C3 H6 B O2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C36 H72 B12 O24 (C3 H6 B O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 5, 7, 7, 8, 8, 13, 19
  • 1, 2, 3, 5, 8, 9, 11, 12, 15, 20
  • 1, 2, 4, 3, 3, 6, 6, 4, 6, 9
  • 1, 2, 4, 3, 3, 6, 6, 4, 6, 10
  • 1, 2, 4, 5, 7, 6, 4, 6, 9, 15
  • 1, 2, 4, 5, 7, 6, 4, 6, 10, 15
  • 2, 3, 4, 6, 8, 8, 9, 12, 19, 24
  • 2, 3, 4, 7, 11, 13, 14, 14, 15, 18
  • 2, 3, 5, 6, 8, 9, 10, 14, 17, 24
  • 2, 3, 5, 7, 11, 14, 15, 14, 12, 16
  • 2, 3, 5, 8, 11, 12, 12, 13, 15, 19
  • 2, 3, 5, 8, 12, 13, 13, 13, 13, 17
  • 3, 3, 5, 7, 7, 8, 8, 13, 19, 21
  • 3, 3, 5, 8, 9, 11, 12, 15, 20, 20
  • 3, 4, 3, 3, 6, 6, 4, 6, 9, 15
  • 3, 4, 3, 3, 6, 6, 4, 6, 10, 15
  • 3, 4, 5, 7, 6, 4, 6, 9, 15, 22
  • 3, 4, 5, 7, 6, 4, 6, 10, 15, 23
  • 3, 4, 6, 8, 8, 10, 12, 14, 19, 21
  • 3, 4, 6, 9, 10, 13, 14, 13, 15, 16
  • 3, 6, 7, 7, 8, 7, 11, 16, 17, 21
  • 3, 6, 7, 7, 8, 8, 12, 18, 20, 26
  • 3, 6, 9, 7, 4, 6, 9, 15, 22, 25
  • 3, 6, 9, 7, 4, 6, 10, 15, 23, 27
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C36 H72 B12 O24 (C3 H6 B O2)

Multiplicity: 1

span 1 {1 1 1}