Structure 4107507

4107486 << 4107507 >> 4107510
Original COD entry Download CIF Download DOT

Citation: Darren H. Brouwer; Gary D. Enright (2008). Probing Local Structure in Zeolite Frameworks: Ultrahigh-Field NMR Measurements and Accurate First-Principles Calculations of Zeolite 29Si Magnetic Shielding Tensors. Journal of the American Chemical Society, 130, pp. 3095-3105.

Formula: C40 H60 N4 O128 Si64

Chemical name: ?

Cell parameters:

  • a = 10.23160(10) Å
  • b = 10.23160(10) Å
  • c = 34.3642(6) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: O128 Si64 (O2 Si)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 17, 14, 36, 26, 64, 46, 108
  • 2, 6, 6, 17, 14, 36, 26, 64, 47, 111
  • 2, 6, 6, 18, 14, 33, 26, 64, 44, 108
  • 2, 6, 6, 18, 14, 33, 27, 67, 41, 101
  • 2, 6, 6, 18, 15, 38, 29, 69, 46, 109
  • 2, 6, 6, 18, 15, 38, 30, 72, 46, 107
  • 2, 6, 6, 18, 18, 45, 30, 72, 52, 114
  • 4, 4, 12, 11, 28, 21, 52, 37, 91, 63
  • 4, 4, 12, 11, 28, 22, 55, 37, 89, 62
  • 4, 4, 12, 11, 28, 23, 58, 38, 90, 62
  • 4, 4, 12, 12, 33, 24, 57, 42, 97, 61
span 1 {1 1 1}