Structure 7247194

7247193 << 7247194 >> 7247195
Original COD entry Download CIF Download DOT

Citation: Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J. (2023). Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method. CrystEngComm, 25, pp. 5001-5011.

Formula: C106.46 H110.99 Cd4.67 N14.5 O36

Chemical name: catena- [tetrakis(\m6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(\m3-oxo)-penta(dimethlyformamide)-triaqua-hepta cadmium isopropanol

Cell parameters:

  • a = 14.52210(10) Å
  • b = 42.7754(2) Å
  • c = 33.9548(2) Å
  • α = 90°
  • β = 93.4290(10)°
  • γ = 90°

List type: interleaving

List: 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 2

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

Dimensionality: 3

Formula: C272 H216 Cd16 N34 O92 (C136 H108 Cd8 N17 O46)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: C272 H216 Cd16 N34 O92 (C136 H108 Cd8 N17 O46)

Multiplicity: 1

span 1 {1 1 1}