Structure 1548977

1548975 << 1548977 >> 1548978
Original COD entry Download CIF Download DOT

Citation: Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudi\'c, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schr\"oder, Martin (2018). Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.. Chemical science, 9, pp. 3401-3408.

Formula: C9.4 H4 D5.61 O5 V

Cell parameters:

  • a = 15.1723(3) Å
  • b = 15.1723(3) Å
  • c = 12.0747(4) Å
  • α = 90°
  • β = 90°
  • γ = 90°

List type: interleaving

List: 1-3D

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 3

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

Dimensionality: 3

Formula: C64 H32 O40 V8 (C8 H4 O5 V)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 5, 20, 24, 33, 40, 64
  • 1, 2, 4, 7, 7, 14, 17, 28, 44, 57
  • 1, 2, 10, 10, 16, 20, 38, 34, 56, 48
  • 2, 7, 9, 16, 17, 31, 31, 55, 51, 76
  • 2, 7, 9, 16, 17, 31, 31, 56, 50, 72
  • 3, 4, 7, 5, 20, 24, 33, 40, 64, 61
  • 3, 4, 7, 7, 14, 17, 28, 44, 57, 56
  • 3, 4, 13, 13, 20, 24, 46, 43, 63, 64
  • 3, 6, 5, 14, 16, 27, 33, 50, 55, 78
  • 3, 6, 7, 8, 9, 22, 38, 46, 47, 77
  • 3, 10, 10, 16, 20, 38, 34, 56, 48, 82
  • 6, 8, 14, 16, 30, 28, 50, 45, 72, 70
span 1 {1 1 1}

CIF datablock 1, entity 2 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C8 D64 (C D8)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 3

Basis: (0;0;1)

Dimensionality: 1

Formula: C8 D64 (C D8)

Multiplicity: 1

span 1 {1 1 1}