Structure 4301604

4301603 << 4301604 >> 4301605
Original COD entry Download CIF Download DOT

Citation: Hesham A. Habib; Anke Hoffmann; Henning A. H\"oppe; Gunther Steinfeld; Christoph Janiak (2009). Crystal Structure Solid-State Cross Polarization Magic Angle Spinning 13C NMR Correlation in Luminescent d10 Metal-Organic Frameworks Constructed with the 1,2-Bis(1,2,4-triazol-4-yl)ethane Ligand. Inorganic Chemistry, 48, pp. 2166-2180.

Formula: C9 H16 Cd3 N9 O17 S2.5

Chemical name: catena-{triaqua-1.5{\m4-1,2-bis(1,2,4-triazol-4-yl)ethane-\kN1:\kN2:\kN1':\kN2'}-\m3-hydroxo-bis{\m3-sulfato-\kO:\kO':\kO''}-tricadmium-semi-sulfate-trihydrate}

Cell parameters:

  • a = 28.0573(7) Å
  • b = 9.0053(2) Å
  • c = 21.2997(5) Å
  • α = 90.00°
  • β = 101.5040(10)°
  • γ = 90.00°

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

Dimensionality: 2

Formula: C36 H60 Cd12 N36 O48 S8 (C9 H15 Cd3 N9 O12 S2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: C36 H60 Cd12 N36 O48 S8 (C9 H15 Cd3 N9 O12 S2)

Multiplicity: 1

span 1 {1 1 1}