Structure 4003360

4003359 << 4003360 >> 4003366
Original COD entry Download CIF Download DOT

Citation: Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining (2018). Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?. Chemistry of Materials, 30, pp. 3613-.

Formula: C14.7 H8 Cu N2 O5

Cell parameters:

  • a = 8.1474(15) Å
  • b = 10.5098(17) Å
  • c = 17.662(3) Å
  • α = 90.00°
  • β = 103.064(7)°
  • γ = 90.00°

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 4

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

Dimensionality: 3

Formula: C28 H16 Cu2 N4 O10 (C14 H8 Cu N2 O5)

Multiplicity: 2

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

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

Dimensionality: 3

Formula: C28 H16 Cu2 N4 O10 (C14 H8 Cu N2 O5)

Multiplicity: 2

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C12 (C)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 2, 2, 2, 4, 2, 2, 2
  • 2, 2, 3, 3, 2, 2, 2, 3, 3, 2
  • 2, 3, 2, 2, 3, 2, 3, 2, 2, 3
  • 3, 2, 2, 2, 2, 4, 2, 2, 2, 2
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C12 (C)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 2, 2, 2, 2, 4, 2, 2, 2
  • 2, 2, 3, 3, 2, 2, 2, 3, 3, 2
  • 2, 3, 2, 2, 3, 2, 3, 2, 2, 3
  • 3, 2, 2, 2, 2, 4, 2, 2, 2, 2
span 1 {1 1 1}