Structure 1552093

1552092 << 1552093 >> 1552094
Original COD entry Download CIF Download DOT

Citation: Wang, Bin; Zou, Xiaodong; Smeets, Stef (2019). Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination. IUCrJ, 6, pp. -.

Formula: C192 O96.16 Ti16 Zr4

Chemical name: PCN-416

Cell parameters:

  • a = 16.5(4) Å
  • b = 16.5(4) Å
  • c = 29.8(8) Å
  • α = 90°
  • β = 90°
  • 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: C192 O88 Ti16 Zr4 (C48 O22 Ti4 Zr)

Multiplicity: 1

Coordination sequences:

  • 2, 3, 4, 4, 4, 13, 32, 51, 48, 42
  • 2, 3, 4, 4, 4, 15, 31, 38, 52, 58
  • 2, 3, 4, 4, 13, 23, 32, 29, 45, 60
  • 2, 3, 4, 4, 15, 20, 22, 45, 44, 47
  • 2, 4, 5, 3, 12, 23, 32, 29, 45, 60
  • 2, 4, 5, 3, 14, 20, 22, 45, 44, 47
  • 2, 8, 13, 25, 25, 31, 28, 31, 30, 27
  • 2, 8, 14, 24, 25, 31, 28, 31, 30, 27
  • 2, 12, 22, 31, 20, 26, 32, 32, 28, 22
  • 2, 13, 20, 17, 33, 32, 27, 31, 29, 21
  • 3, 4, 3, 3, 4, 13, 32, 51, 48, 42
  • 3, 4, 3, 3, 4, 15, 31, 38, 52, 58
  • 3, 4, 4, 13, 22, 31, 20, 26, 41, 51
  • 3, 4, 4, 15, 19, 21, 34, 28, 40, 48
  • 3, 4, 13, 23, 32, 19, 25, 32, 32, 38
  • 3, 4, 15, 20, 22, 33, 27, 29, 32, 38
  • 3, 17, 18, 24, 33, 28, 30, 32, 24, 20
  • 7, 13, 24, 25, 31, 29, 32, 29, 26, 22
  • 12, 20, 16, 33, 32, 28, 32, 28, 20, 24
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