Structure 2312317

2312306 << 2312317 >> 2312324
Original COD entry Download CIF Download DOT

Citation: Marchetti, Danilo; Pedrini, Alessandro; Massera, Chiara; Diame, Moussa Faye; Jandl, Christian; Steinfeld, Gunther; Gemmi, Mauro (2023). 3D electron diffraction analysis of a novel, mechanochemically synthesized supramolecular organic framework based on tetrakis-4-(4-pyridyl)phenylmethane.. Acta crystallographica Section B, Structural science, crystal engineering and materials, 79, pp. 432-436.

Formula: C48.5 H35.5 N4 O0.5

Chemical name: TPPM_BnOH

Cell parameters:

  • a = 27.946(7) Å
  • b = 7.0236(5) Å
  • c = 21.610(3) Å
  • α = 90°
  • β = 119.031(14)°
  • γ = 90°

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 4, entity 5 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C14 H14 O2 (C7 H7 O)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 9, 10, 9, 7, 10, 14, 15, 9
  • 1, 5, 7, 12, 8, 7, 10, 14, 15, 9
  • 1, 5, 12, 10, 10, 7, 14, 11, 12, 8
  • 1, 7, 7, 14, 11, 12, 8, 8, 7, 14
  • 3, 7, 10, 11, 4, 10, 10, 18, 12, 6
  • 3, 7, 10, 12, 11, 11, 11, 8, 11, 11
  • 4, 7, 14, 12, 15, 8, 8, 7, 14, 11
  • 4, 11, 10, 18, 12, 6, 4, 10, 10, 18
  • 5, 9, 10, 9, 7, 10, 14, 15, 9, 5
  • 6, 7, 12, 8, 7, 10, 14, 15, 9, 5
  • 6, 12, 10, 10, 7, 14, 11, 12, 8, 8
  • 6, 15, 9, 8, 7, 14, 11, 12, 8, 8
  • 7, 11, 9, 11, 7, 14, 11, 12, 8, 8
  • 8, 7, 14, 11, 12, 8, 8, 7, 14, 11
  • 8, 12, 11, 4, 10, 10, 18, 12, 6, 4
span 1 {1 1 1}

CIF datablock 5, entity 6 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C14 H14 O2 (C7 H7 O)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 9, 10, 9, 7, 10, 14, 15, 9
  • 1, 5, 7, 12, 8, 7, 10, 14, 15, 9
  • 1, 5, 12, 10, 10, 7, 14, 11, 12, 8
  • 1, 7, 7, 14, 11, 12, 8, 8, 7, 14
  • 3, 7, 10, 11, 4, 10, 10, 18, 12, 6
  • 3, 7, 10, 12, 11, 11, 11, 8, 11, 11
  • 4, 7, 14, 12, 15, 8, 8, 7, 14, 11
  • 4, 11, 10, 18, 12, 6, 4, 10, 10, 18
  • 5, 9, 10, 9, 7, 10, 14, 15, 9, 5
  • 6, 7, 12, 8, 7, 10, 14, 15, 9, 5
  • 6, 12, 10, 10, 7, 14, 11, 12, 8, 8
  • 6, 15, 9, 8, 7, 14, 11, 12, 8, 8
  • 7, 11, 9, 11, 7, 14, 11, 12, 8, 8
  • 8, 7, 14, 11, 12, 8, 8, 7, 14, 11
  • 8, 12, 11, 4, 10, 10, 18, 12, 6, 4
span 1 {1 1 1}

CIF datablock 6, entity 7 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C14 H14 O2 (C7 H7 O)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 9, 10, 9, 7, 10, 14, 15, 9
  • 1, 5, 7, 12, 8, 7, 10, 14, 15, 9
  • 1, 5, 12, 10, 10, 7, 14, 11, 12, 8
  • 1, 7, 7, 14, 11, 12, 8, 8, 7, 14
  • 3, 7, 10, 11, 4, 10, 10, 18, 12, 6
  • 3, 7, 10, 12, 11, 11, 11, 8, 11, 11
  • 4, 7, 14, 12, 15, 8, 8, 7, 14, 11
  • 4, 11, 10, 18, 12, 6, 4, 10, 10, 18
  • 5, 9, 10, 9, 7, 10, 14, 15, 9, 5
  • 6, 7, 12, 8, 7, 10, 14, 15, 9, 5
  • 6, 12, 10, 10, 7, 14, 11, 12, 8, 8
  • 6, 15, 9, 8, 7, 14, 11, 12, 8, 8
  • 7, 11, 9, 11, 7, 14, 11, 12, 8, 8
  • 8, 7, 14, 11, 12, 8, 8, 7, 14, 11
  • 8, 12, 11, 4, 10, 10, 18, 12, 6, 4
span 1 {1 1 1}

CIF datablock 7, entity 8 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C14 H14 O2 (C7 H7 O)

Multiplicity: 1

Coordination sequences:

  • 1, 4, 9, 10, 9, 7, 10, 14, 15, 9
  • 1, 5, 7, 12, 8, 7, 10, 14, 15, 9
  • 1, 5, 12, 10, 10, 7, 14, 11, 12, 8
  • 1, 7, 7, 14, 11, 12, 8, 8, 7, 14
  • 3, 7, 10, 11, 4, 10, 10, 18, 12, 6
  • 3, 7, 10, 12, 11, 11, 11, 8, 11, 11
  • 4, 7, 14, 12, 15, 8, 8, 7, 14, 11
  • 4, 11, 10, 18, 12, 6, 4, 10, 10, 18
  • 5, 9, 10, 9, 7, 10, 14, 15, 9, 5
  • 6, 7, 12, 8, 7, 10, 14, 15, 9, 5
  • 6, 12, 10, 10, 7, 14, 11, 12, 8, 8
  • 6, 15, 9, 8, 7, 14, 11, 12, 8, 8
  • 7, 11, 9, 11, 7, 14, 11, 12, 8, 8
  • 8, 7, 14, 11, 12, 8, 8, 7, 14, 11
  • 8, 12, 11, 4, 10, 10, 18, 12, 6, 4
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