Structure 1526069

1526068 << 1526069 >> 1526070
Original COD entry Download CIF Download DOT

Citation: Fyfe, C.A.; Brouwer, D.H. (2000). Solid-state NMR and X-ray diffraction structural investigations of the p-nitroaniline/ZSM-5 komplex. Microporous and Mesoporous Materials, 39, pp. 291-305.

Formula: C24 H24 N8 O200 Si96

Chemical name: (Si96 O192) (C6 H6 N2 O2)4

Cell parameters:

  • a = 19.9191 Å
  • b = 19.89119 Å
  • c = 13.3388 Å
  • α = 90°
  • β = 90°
  • γ = 90°

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

Dimensionality: 3

Formula: O192 Si96 (O2 Si)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 17, 14, 37, 27, 62, 45, 113
  • 2, 6, 6, 17, 16, 40, 28, 67, 44, 106
  • 2, 6, 6, 17, 16, 40, 30, 71, 48, 119
  • 2, 6, 6, 18, 14, 34, 26, 66, 46, 108
  • 2, 6, 6, 18, 14, 34, 27, 69, 48, 113
  • 2, 6, 6, 18, 14, 34, 28, 71, 46, 108
  • 2, 6, 6, 18, 15, 36, 26, 65, 44, 105
  • 2, 6, 6, 18, 15, 36, 26, 65, 45, 106
  • 2, 6, 6, 18, 15, 36, 26, 65, 46, 112
  • 2, 6, 6, 18, 15, 36, 26, 66, 46, 109
  • 2, 6, 6, 18, 15, 37, 26, 64, 46, 109
  • 2, 6, 6, 18, 15, 37, 27, 66, 48, 111
  • 2, 6, 6, 18, 15, 37, 28, 68, 49, 115
  • 2, 6, 6, 18, 15, 37, 28, 69, 48, 110
  • 2, 6, 6, 18, 15, 38, 28, 66, 43, 101
  • 2, 6, 6, 18, 15, 38, 28, 66, 46, 110
  • 2, 6, 6, 18, 15, 38, 29, 67, 44, 108
  • 2, 6, 6, 18, 16, 38, 27, 69, 44, 105
  • 2, 6, 6, 18, 16, 38, 27, 70, 46, 108
  • 2, 6, 6, 18, 16, 40, 27, 66, 46, 106
  • 2, 6, 6, 18, 16, 40, 28, 66, 44, 103
  • 2, 6, 6, 18, 16, 40, 28, 68, 47, 109
  • 2, 6, 6, 18, 17, 41, 29, 70, 48, 115
  • 2, 6, 6, 18, 17, 42, 29, 68, 44, 105
  • 2, 6, 6, 18, 18, 42, 28, 70, 48, 112
  • 2, 6, 6, 18, 18, 44, 30, 70, 46, 107
  • 4, 4, 12, 11, 29, 22, 53, 36, 88, 61
  • 4, 4, 12, 11, 29, 23, 55, 39, 97, 62
  • 4, 4, 12, 12, 30, 21, 54, 36, 85, 61
  • 4, 4, 12, 12, 30, 22, 55, 39, 98, 64
  • 4, 4, 12, 12, 30, 22, 57, 40, 92, 61
  • 4, 4, 12, 12, 30, 23, 58, 37, 90, 62
  • 4, 4, 12, 12, 31, 21, 52, 37, 88, 63
  • 4, 4, 12, 12, 31, 22, 54, 41, 97, 61
  • 4, 4, 12, 12, 32, 22, 54, 38, 89, 59
  • 4, 4, 12, 12, 32, 23, 54, 38, 94, 59
  • 4, 4, 12, 12, 32, 24, 57, 38, 95, 63
  • 4, 4, 12, 12, 33, 24, 56, 38, 89, 56
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: C46 H30 N16 O16 (C23 H15 N8 O8)

Multiplicity: 1

Coordination sequences:

  • 1, 9, 15, 18, 10, 7, 8, 16, 16, 15
  • 2, 10, 16, 17, 9, 6, 9, 14, 22, 23
  • 3, 8, 14, 23, 28, 19, 10, 4, 6, 8
  • 4, 9, 17, 17, 6, 5, 7, 10, 19, 25
  • 4, 10, 15, 22, 23, 17, 11, 8, 6, 9
  • 4, 10, 17, 19, 19, 21, 12, 8, 6, 9
  • 4, 13, 17, 16, 5, 6, 10, 16, 26, 26
  • 4, 16, 17, 14, 4, 6, 8, 12, 26, 24
  • 5, 11, 17, 16, 7, 6, 9, 17, 18, 22
  • 5, 15, 19, 13, 4, 7, 10, 16, 29, 22
  • 6, 11, 19, 15, 12, 16, 14, 12, 9, 8
  • 6, 15, 18, 13, 4, 7, 10, 16, 29, 22
  • 7, 8, 17, 18, 19, 21, 12, 8, 6, 9
  • 9, 13, 19, 14, 11, 15, 15, 13, 11, 15
  • 9, 14, 16, 14, 11, 12, 19, 14, 11, 15
  • 10, 15, 18, 10, 7, 8, 16, 16, 15, 18
  • 11, 15, 14, 13, 11, 12, 19, 14, 11, 15
  • 11, 18, 18, 6, 5, 7, 10, 19, 25, 21
  • 11, 19, 14, 9, 7, 8, 16, 16, 15, 18
  • 11, 24, 12, 6, 5, 7, 10, 19, 25, 21
  • 12, 16, 17, 9, 6, 9, 14, 22, 23, 17
  • 12, 17, 16, 9, 6, 9, 14, 22, 23, 17
  • 12, 17, 17, 7, 5, 7, 10, 19, 25, 21
  • 12, 18, 17, 6, 5, 7, 10, 19, 25, 21
  • 12, 19, 13, 9, 7, 8, 16, 16, 15, 18
  • 12, 19, 18, 5, 5, 8, 12, 23, 28, 19
  • 13, 23, 12, 8, 6, 9, 17, 18, 22, 17
  • 14, 22, 15, 4, 6, 8, 12, 26, 24, 18
span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: C46 H30 N16 O16 (C23 H15 N8 O8)

Multiplicity: 1

Coordination sequences:

  • 1, 9, 15, 18, 10, 7, 8, 16, 16, 15
  • 2, 10, 16, 17, 9, 6, 9, 14, 22, 23
  • 3, 8, 14, 23, 28, 19, 10, 4, 6, 8
  • 4, 9, 17, 17, 6, 5, 7, 10, 19, 25
  • 4, 10, 15, 22, 23, 17, 11, 8, 6, 9
  • 4, 10, 17, 19, 19, 21, 12, 8, 6, 9
  • 4, 13, 17, 16, 5, 6, 10, 16, 26, 26
  • 4, 16, 17, 14, 4, 6, 8, 12, 26, 24
  • 5, 11, 17, 16, 7, 6, 9, 17, 18, 22
  • 5, 15, 19, 13, 4, 7, 10, 16, 29, 22
  • 6, 11, 19, 15, 12, 16, 14, 12, 9, 8
  • 6, 15, 18, 13, 4, 7, 10, 16, 29, 22
  • 7, 8, 17, 18, 19, 21, 12, 8, 6, 9
  • 9, 13, 19, 14, 11, 15, 15, 13, 11, 15
  • 9, 14, 16, 14, 11, 12, 19, 14, 11, 15
  • 10, 15, 18, 10, 7, 8, 16, 16, 15, 18
  • 11, 15, 14, 13, 11, 12, 19, 14, 11, 15
  • 11, 18, 18, 6, 5, 7, 10, 19, 25, 21
  • 11, 19, 14, 9, 7, 8, 16, 16, 15, 18
  • 11, 24, 12, 6, 5, 7, 10, 19, 25, 21
  • 12, 16, 17, 9, 6, 9, 14, 22, 23, 17
  • 12, 17, 16, 9, 6, 9, 14, 22, 23, 17
  • 12, 17, 17, 7, 5, 7, 10, 19, 25, 21
  • 12, 18, 17, 6, 5, 7, 10, 19, 25, 21
  • 12, 19, 13, 9, 7, 8, 16, 16, 15, 18
  • 12, 19, 18, 5, 5, 8, 12, 23, 28, 19
  • 13, 23, 12, 8, 6, 9, 17, 18, 22, 17
  • 14, 22, 15, 4, 6, 8, 12, 26, 24, 18
span 1 {1 1 1}