Structure 7032955

7032954 << 7032955 >> 7032957
Original COD entry Download CIF Download DOT

Citation: Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chang-Hsiu; Chen, Chun-Chi; Lee, Gene-Hsiang; Wang, Chih-Chieh; Lu, Kuang-Lieh (2015). Benzene absorption in a protuberant-grid-type zinc(II)-organic framework triggered by the migration of guest water molecules.. Dalton transactions (Cambridge, England : 2003), 44, pp. 62-65.

Formula: C60 H70 N12 O22 Zn2

Chemical name: ?

Cell parameters:

  • a = 12.4881(8) Å
  • b = 13.2558(8) Å
  • c = 13.2738(8) Å
  • α = 112.0191(15)°
  • β = 107.4532(15)°
  • γ = 98.2194(16)°

List type: interleaving

List: 2D

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 2

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

Dimensionality: 2

Formula: C26 H16 N6 O4 Zn (C26 H16 N6 O4 Zn)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 7, 8, 13, 9, 12, 13, 10
  • 1, 2, 4, 3, 6, 7, 10, 11, 13, 11
  • 1, 2, 4, 4, 5, 3, 7, 8, 14, 12
  • 1, 2, 4, 5, 3, 5, 7, 14, 11, 14
  • 1, 2, 4, 5, 4, 5, 8, 10, 9, 12
  • 1, 2, 4, 5, 7, 6, 5, 7, 13, 17
  • 1, 2, 4, 6, 5, 10, 10, 13, 13, 10
  • 1, 2, 4, 7, 3, 5, 9, 13, 12, 14
  • 1, 2, 4, 8, 8, 10, 11, 13, 11, 9
  • 2, 4, 6, 7, 4, 6, 5, 11, 12, 21
  • 2, 5, 7, 14, 11, 13, 10, 9, 13, 9
  • 3, 3, 7, 8, 13, 9, 12, 13, 10, 13
  • 3, 4, 3, 6, 7, 10, 11, 13, 11, 9
  • 3, 4, 4, 5, 3, 7, 8, 14, 12, 18
  • 3, 4, 5, 3, 5, 7, 14, 11, 14, 13
  • 3, 4, 5, 4, 5, 8, 10, 9, 12, 12
  • 3, 4, 5, 7, 6, 5, 7, 13, 17, 19
  • 3, 4, 6, 5, 10, 10, 13, 13, 10, 8
  • 3, 4, 7, 3, 5, 9, 13, 12, 14, 17
  • 3, 4, 8, 8, 10, 11, 13, 11, 9, 9
  • 3, 5, 5, 3, 6, 4, 7, 9, 18, 15
  • 3, 5, 6, 7, 6, 6, 9, 10, 16, 19
  • 3, 6, 4, 5, 5, 6, 9, 14, 16, 17
  • 3, 6, 4, 6, 6, 12, 12, 13, 13, 11
  • 3, 6, 6, 6, 8, 10, 9, 12, 12, 13
  • 3, 7, 7, 11, 10, 13, 13, 10, 8, 7
  • 4, 6, 12, 10, 14, 12, 10, 10, 8, 12
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: C26 H16 N6 O4 Zn (C26 H16 N6 O4 Zn)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 7, 8, 13, 9, 12, 13, 10
  • 1, 2, 4, 3, 6, 7, 10, 11, 13, 11
  • 1, 2, 4, 4, 5, 3, 7, 8, 14, 12
  • 1, 2, 4, 5, 3, 5, 7, 14, 11, 14
  • 1, 2, 4, 5, 4, 5, 8, 10, 9, 12
  • 1, 2, 4, 5, 7, 6, 5, 7, 13, 17
  • 1, 2, 4, 6, 5, 10, 10, 13, 13, 10
  • 1, 2, 4, 7, 3, 5, 9, 13, 12, 14
  • 1, 2, 4, 8, 8, 10, 11, 13, 11, 9
  • 2, 4, 6, 7, 4, 6, 5, 11, 12, 21
  • 2, 5, 7, 14, 11, 13, 10, 9, 13, 9
  • 3, 3, 7, 8, 13, 9, 12, 13, 10, 13
  • 3, 4, 3, 6, 7, 10, 11, 13, 11, 9
  • 3, 4, 4, 5, 3, 7, 8, 14, 12, 18
  • 3, 4, 5, 3, 5, 7, 14, 11, 14, 13
  • 3, 4, 5, 4, 5, 8, 10, 9, 12, 12
  • 3, 4, 5, 7, 6, 5, 7, 13, 17, 19
  • 3, 4, 6, 5, 10, 10, 13, 13, 10, 8
  • 3, 4, 7, 3, 5, 9, 13, 12, 14, 17
  • 3, 4, 8, 8, 10, 11, 13, 11, 9, 9
  • 3, 5, 5, 3, 6, 4, 7, 9, 18, 15
  • 3, 5, 6, 7, 6, 6, 9, 10, 16, 19
  • 3, 6, 4, 5, 5, 6, 9, 14, 16, 17
  • 3, 6, 4, 6, 6, 12, 12, 13, 13, 11
  • 3, 6, 6, 6, 8, 10, 9, 12, 12, 13
  • 3, 7, 7, 11, 10, 13, 13, 10, 8, 7
  • 4, 6, 12, 10, 14, 12, 10, 10, 8, 12
span 1 {1 1 1}