Structure 4002877

4002876 << 4002877 >> 4002878
Original COD entry Download CIF Download DOT

Citation: Benzaqui, Marvin; Pillai, Renjith S.; Sabetghadam, Anahid; Benoit, Virginie; Normand, Perine; Marrot, J\'er\^ome; Menguy, Nicolas; Montero, David; Shepard, William; Tissot, Antoine; Martineau-Corcos, Charlotte; Sicard, Cl\'emence; Mihaylov, Mihail; Carn, Florent; Beurroies, Isabelle; Llewellyn, Philip L.; De Weireld, Guy; Hadjiivanov, Konstantin; Gascon, Jorge; Kapteijn, Freek; Maurin, Guillaume; Steunou, Nathalie; Serre, Christian (2017). Revisiting the Aluminum Trimesate-Based MOF (MIL-96): From Structure Determination to the Processing of Mixed Matrix Membranes for CO2 Capture. Chemistry of Materials, 29, pp. 10326-.

Formula: C54 H18 Al12 O73.5

Cell parameters:

  • a = 14.290(2) Å
  • b = 14.290(2) Å
  • c = 31.300(6) Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

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

Dimensionality: 3

Formula: C108 H36 Al24 O116 (C27 H9 Al6 O29)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 5, 20, 14, 36, 29, 65
  • 1, 2, 4, 7, 5, 20, 14, 42, 31, 66
  • 1, 5, 5, 16, 13, 29, 26, 55, 35, 84
  • 1, 5, 6, 14, 10, 18, 16, 28, 22, 80
  • 2, 7, 6, 18, 14, 30, 27, 67, 39, 85
  • 2, 7, 7, 16, 11, 19, 17, 41, 29, 89
  • 2, 7, 7, 16, 13, 35, 24, 52, 37, 93
  • 2, 10, 7, 18, 16, 39, 30, 56, 39, 102
  • 2, 10, 7, 18, 17, 37, 30, 63, 36, 95
  • 3, 4, 7, 5, 20, 14, 36, 29, 65, 47
  • 3, 4, 7, 5, 20, 14, 42, 31, 66, 53
  • 3, 4, 13, 9, 15, 14, 38, 27, 56, 39
  • 3, 4, 13, 9, 22, 18, 52, 35, 66, 50
  • 3, 6, 5, 14, 10, 28, 22, 53, 38, 75
  • 3, 6, 5, 14, 10, 35, 25, 56, 45, 86
  • 3, 15, 6, 6, 12, 24, 18, 30, 24, 102
  • 6, 5, 16, 13, 29, 26, 55, 35, 84, 48
  • 6, 6, 14, 10, 18, 16, 28, 22, 80, 46
  • 6, 6, 14, 12, 34, 24, 44, 32, 88, 58
span 1 {1 1 1}