Structure 4114080

4114032 << 4114080 >> 4114115
Original COD entry Download CIF Download DOT

Citation: Lobo, R. F.; Davis, M. E. (1995). CIT-1: A New Molecular Sieve with Intersecting Pores Bounded by 10- and 12-Rings. J. Am. Chem. Soc., 117, pp. 3766-3779.

Formula: O112 Si56

Chemical name: CIT-1

Cell parameters:

  • a = 22.6242 Å
  • b = 13.3503 Å
  • c = 12.3642 Å
  • α = 90°
  • β = 68.913°
  • γ = 90°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: O112 Si56 (O2 Si)

Multiplicity: 1

Coordination sequences:

  • 2, 6, 6, 16, 14, 34, 24, 62, 40, 92
  • 2, 6, 6, 16, 14, 37, 28, 63, 36, 85
  • 2, 6, 6, 17, 12, 31, 23, 58, 38, 90
  • 2, 6, 6, 17, 12, 32, 24, 60, 40, 94
  • 2, 6, 6, 17, 13, 35, 25, 59, 38, 88
  • 2, 6, 6, 17, 14, 34, 22, 55, 38, 96
  • 2, 6, 6, 17, 14, 34, 24, 62, 40, 89
  • 2, 6, 6, 17, 14, 34, 24, 62, 40, 91
  • 2, 6, 6, 17, 14, 35, 23, 56, 39, 93
  • 2, 6, 6, 17, 14, 36, 23, 55, 38, 94
  • 2, 6, 6, 17, 14, 37, 24, 55, 35, 85
  • 2, 6, 6, 17, 14, 37, 24, 56, 39, 93
  • 2, 6, 6, 17, 16, 37, 20, 48, 36, 92
  • 2, 6, 6, 18, 13, 32, 21, 50, 36, 90
  • 2, 6, 6, 18, 14, 33, 22, 56, 38, 93
  • 2, 6, 6, 18, 14, 34, 22, 52, 35, 87
  • 2, 6, 6, 18, 15, 36, 25, 61, 38, 87
  • 4, 4, 12, 10, 26, 19, 48, 32, 78, 50
  • 4, 4, 12, 10, 26, 19, 49, 32, 75, 51
  • 4, 4, 12, 10, 26, 19, 49, 32, 76, 51
  • 4, 4, 12, 10, 27, 21, 52, 32, 72, 47
  • 4, 4, 12, 11, 29, 18, 42, 28, 70, 49
  • 4, 4, 12, 11, 29, 18, 42, 31, 80, 52
  • 4, 4, 12, 11, 30, 19, 44, 32, 77, 49
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