Structure 1546999

1546998 << 1546999 >> 1547000
Original COD entry Download CIF Download DOT

Citation: He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming (2017). Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment. Chem. Sci., , pp. -.

Formula: C48 H48 Mn12 N72 O12

Chemical name: ?

Cell parameters:

  • a = 18.143(4) Å
  • b = 18.143(4) Å
  • c = 18.143(4) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

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 2

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

Dimensionality: 3

Formula: C96 H96 Mn24 N144 (C4 H4 Mn N6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 7, 18, 28, 29, 34, 51, 80
  • 3, 4, 7, 18, 28, 29, 34, 51, 80, 81
  • 3, 9, 15, 25, 25, 37, 45, 71, 69, 111
  • 3, 9, 18, 24, 36, 30, 50, 66, 102, 102
  • 6, 12, 16, 24, 24, 40, 36, 60, 96, 144
  • 6, 12, 20, 18, 30, 48, 72, 54, 90, 144
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CIF datablock 1, entity 2 of 2

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

Dimensionality: 3

Formula: O224 (O)

Multiplicity: 1

Coordination sequences:

  • 2, 5, 10, 19, 16, 6, 6, 15, 30, 57
  • 5, 7, 14, 7, 9, 16, 15, 21, 42, 21
  • 5, 8, 12, 4, 7, 9, 25, 21, 42, 12
  • 6, 13, 7, 4, 4, 13, 22, 45, 22, 12
  • 10, 14, 4, 4, 7, 18, 31, 42, 12, 12
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