Structure 1562404

1562403 << 1562404 >> 1562405
Original COD entry Download CIF Download DOT

Citation: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao (2021). On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.. Faraday discussions, 231, pp. 66-80.

Formula: C10 N5 O0.5 Zn1.5

Cell parameters:

  • a = 13.6540(19) Å
  • b = 14.936(3) Å
  • c = 14.311(2) Å
  • α = 90°
  • β = 118.162(11)°
  • 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: C80 N40 O4 Zn12 (C20 N10 O Zn3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 6, 10, 18, 16, 30, 29, 50
  • 1, 2, 4, 6, 11, 18, 11, 24, 28, 50
  • 1, 2, 4, 6, 11, 18, 11, 24, 29, 54
  • 2, 3, 5, 8, 14, 17, 23, 30, 40, 44
  • 2, 3, 5, 8, 15, 17, 18, 23, 40, 50
  • 2, 3, 5, 8, 15, 17, 18, 23, 42, 53
  • 2, 3, 5, 9, 14, 12, 17, 30, 39, 46
  • 2, 3, 5, 9, 14, 12, 17, 30, 41, 50
  • 2, 6, 12, 18, 6, 18, 34, 52, 22, 52
  • 3, 4, 6, 10, 18, 16, 30, 29, 50, 36
  • 3, 4, 6, 11, 18, 11, 24, 28, 50, 43
  • 3, 4, 6, 11, 18, 11, 24, 29, 54, 48
  • 3, 6, 6, 12, 13, 24, 23, 41, 34, 62
  • 3, 6, 6, 12, 14, 24, 17, 35, 40, 66
  • 3, 6, 6, 12, 14, 24, 17, 36, 41, 68
  • 3, 6, 7, 12, 8, 18, 23, 41, 35, 65
  • 3, 6, 7, 12, 8, 18, 23, 42, 37, 66
  • 4, 7, 12, 9, 18, 20, 36, 29, 51, 48
  • 4, 8, 12, 4, 12, 20, 36, 31, 55, 52
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