Structure 4332582

4332581 << 4332582 >> 4332583
Original COD entry Download CIF Download DOT

Citation: Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W. (2006). Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework \a-[Mg3(O2CH)6]. Inorganic Chemistry, 45, pp. 5521-5528.

Formula: C8 H11 Mg3 O12.5

Cell parameters:

  • a = 11.3805(4) Å
  • b = 9.8406(3) Å
  • c = 14.5057(5) Å
  • α = 90.00°
  • β = 91.429(2)°
  • γ = 90.00°

List type: interleaving

List: 1-3D

Combined 3D structure and graph

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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: C24 H24 Mg12 O48 (C2 H2 Mg O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 12, 15, 33, 20, 48, 36, 84
  • 1, 2, 3, 13, 15, 32, 20, 48, 36, 84
  • 1, 2, 3, 14, 15, 31, 20, 48, 36, 84
  • 2, 7, 8, 20, 15, 35, 26, 60, 42, 102
  • 2, 7, 8, 21, 15, 34, 26, 60, 42, 102
  • 3, 3, 12, 15, 33, 20, 48, 36, 84, 60
  • 3, 3, 13, 15, 32, 20, 48, 36, 84, 60
  • 3, 3, 14, 15, 31, 20, 48, 36, 84, 60
  • 3, 11, 12, 27, 18, 42, 30, 72, 54, 126
  • 3, 12, 12, 26, 18, 42, 30, 72, 54, 126
  • 6, 8, 18, 12, 30, 24, 54, 36, 90, 72
  • 6, 10, 24, 16, 36, 24, 60, 48, 108, 72
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CIF datablock 1, entity 2 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: C12 H30 O2 (C6 H15 O)

Multiplicity: 1

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CIF datablock 2, entity 3 of 3

Basis: (0;1;0)

Dimensionality: 1

Formula: C12 H30 O2 (C6 H15 O)

Multiplicity: 1

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