Structure 2104255

2104228 << 2104255 >> 2104256
Original COD entry Download CIF Download DOT

Citation: Porcher, Florence; Borissenko, Elena; Souhassou, Mohamed; Takata, Masaki; Kato, Kenichi; Rodriguez-Carvajal, Juan; Lecomte, Claude (2008). Synchrotron powder diffraction characterization of the zeolite-based (p-N,N-dimethylnitroaniline--mordenite) guest--host phase. Acta Crystallographica Section B, 64, pp. 713-724.

Formula: C0.97 H1.21 Al0.375 N0.24 Na0.33 O6.24 Si2.625

Chemical name: ?

Cell parameters:

  • a = 18.04416(6) Å
  • b = 20.40681(6) Å
  • c = 7.49986(2) Å
  • α = 90.00000°
  • β = 90.00000°
  • γ = 90.00000°

List type: interleaving

List: 1-3D

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: C64 H80 N16 O16 (C4 H5 N O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C64 H80 N16 O16 (C4 H5 N O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

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

Dimensionality: 3

Formula: O96 Si48 (O2 Si)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 17, 14, 37, 30, 73, 46, 100
  • 2, 6, 6, 17, 16, 40, 32, 76, 46, 106
  • 2, 6, 6, 17, 16, 40, 32, 78, 46, 102
  • 2, 6, 6, 18, 14, 34, 24, 60, 46, 112
  • 2, 6, 6, 18, 14, 34, 28, 67, 46, 113
  • 2, 6, 6, 18, 14, 35, 30, 72, 43, 103
  • 2, 6, 6, 18, 15, 37, 26, 65, 46, 109
  • 2, 6, 6, 18, 16, 37, 24, 62, 46, 109
  • 2, 6, 6, 18, 16, 38, 26, 67, 48, 109
  • 2, 6, 6, 18, 16, 40, 28, 69, 44, 104
  • 4, 4, 12, 11, 28, 24, 59, 39, 92, 60
  • 4, 4, 12, 11, 28, 24, 61, 39, 90, 54
  • 4, 4, 12, 12, 30, 20, 50, 37, 92, 64
  • 4, 4, 12, 12, 31, 22, 56, 38, 90, 60
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