Structure 4512223

4512222 << 4512223 >> 4512226
Original COD entry Download CIF Download DOT

Citation: Agarwal, Rashmi A.; Mukherjee, Soumya; Sa\~nudo, E. Carolina; Ghosh, Sujit K.; Bharadwaj, Parimal K. (2014). Gas Adsorption, Magnetism, and Single-Crystal to Single-Crystal Transformation Studies of a Three-Dimensional Mn(II) Porous Coordination Polymer. Crystal Growth & Design, 14, pp. 5585-.

Formula: C72 H57 Mn2 N13 O15

Cell parameters:

  • a = 17.203(5) Å
  • b = 17.203(5) Å
  • c = 14.045(5) Å
  • α = 90.000(5)°
  • β = 90.000(5)°
  • γ = 120.000(5)°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: C126 H78 Mn4 N24 O12 (C63 H39 Mn2 N12 O6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 3, 4, 9, 10, 19, 21
  • 1, 2, 4, 3, 3, 7, 9, 18, 18, 30
  • 1, 2, 4, 5, 5, 9, 10, 19, 21, 39
  • 1, 2, 4, 5, 8, 9, 18, 18, 30, 31
  • 1, 2, 4, 7, 7, 16, 26, 38, 50, 60
  • 1, 2, 4, 7, 9, 10, 18, 26, 42, 56
  • 1, 2, 4, 9, 15, 19, 20, 31, 39, 54
  • 2, 7, 11, 23, 25, 40, 41, 42, 61, 54
  • 3, 4, 3, 3, 4, 9, 10, 19, 21, 39
  • 3, 4, 3, 3, 7, 9, 18, 18, 30, 31
  • 3, 4, 5, 5, 9, 10, 19, 21, 39, 47
  • 3, 4, 5, 8, 9, 18, 18, 30, 31, 47
  • 3, 4, 7, 7, 16, 26, 38, 50, 60, 70
  • 3, 4, 7, 9, 10, 18, 26, 42, 56, 74
  • 3, 4, 9, 15, 19, 20, 31, 39, 54, 73
  • 3, 4, 14, 17, 31, 36, 46, 52, 42, 68
  • 3, 6, 5, 15, 22, 34, 44, 54, 62, 52
  • 3, 6, 7, 9, 14, 22, 36, 49, 66, 72
  • 3, 6, 7, 10, 10, 19, 21, 39, 47, 64
  • 3, 6, 8, 11, 13, 20, 29, 47, 58, 70
  • 3, 6, 10, 10, 18, 18, 30, 31, 47, 65
  • 3, 9, 11, 19, 20, 28, 30, 39, 59, 66
  • 6, 9, 18, 19, 30, 30, 36, 51, 54, 85
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