Structure 7118666

7118665 << 7118666 >> 7118669
Original COD entry Download CIF Download DOT

Citation: Zhang, Jinfang; Jia, Ding; Humphrey, Mark G.; Meng, Suci; Zaworotko, Michael J.; Cifuentes, Marie P.; Zhang, Chi (2016). Ammonium-crown ether supramolecular cation-templated assembly of an unprecedented heterobicluster-metal coordination polymer with enhanced NLO properties.. Chemical communications (Cambridge, England), 52, pp. 3797-3800.

Formula: C111 H220 Cu18 N30 O42 S20 W5

Chemical name: ?

Cell parameters:

  • a = 16.682(3) Å
  • b = 21.662(4) Å
  • c = 27.674(5) Å
  • α = 90.00°
  • β = 96.49(3)°
  • γ = 90.00°

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: C28 Cu36 N28 S40 W10 (C14 Cu18 N14 S20 W5)

Multiplicity: 1

Coordination sequences:

  • 2, 3, 5, 6, 10, 12, 9, 16, 20, 27
  • 2, 3, 5, 6, 10, 12, 9, 19, 25, 30
  • 2, 3, 6, 7, 9, 13, 13, 16, 14, 25
  • 2, 4, 6, 5, 5, 10, 18, 17, 14, 18
  • 2, 4, 6, 5, 5, 10, 20, 22, 21, 23
  • 2, 4, 8, 8, 6, 9, 11, 14, 18, 24
  • 2, 4, 8, 9, 8, 11, 18, 29, 28, 22
  • 2, 4, 9, 10, 8, 9, 20, 26, 20, 22
  • 2, 5, 7, 5, 7, 13, 19, 15, 12, 24
  • 2, 5, 8, 7, 9, 11, 12, 18, 17, 28
  • 2, 5, 8, 8, 9, 9, 11, 26, 29, 20
  • 2, 5, 9, 9, 10, 13, 15, 23, 24, 24
  • 2, 5, 9, 9, 11, 12, 21, 28, 21, 22
  • 2, 5, 10, 10, 10, 13, 20, 24, 18, 22
  • 2, 6, 4, 4, 5, 11, 14, 15, 17, 15
  • 2, 6, 4, 4, 5, 13, 18, 20, 23, 18
  • 2, 6, 4, 4, 7, 12, 11, 10, 17, 21
  • 2, 6, 4, 4, 7, 15, 17, 18, 20, 31
  • 3, 3, 3, 10, 13, 9, 11, 12, 28, 35
  • 3, 7, 4, 4, 8, 13, 13, 17, 17, 24
  • 3, 7, 4, 4, 10, 14, 10, 14, 17, 29
  • 3, 7, 4, 4, 10, 16, 16, 20, 22, 27
  • 3, 7, 4, 4, 12, 18, 15, 16, 19, 41
  • 3, 7, 6, 6, 12, 24, 22, 16, 16, 16
  • 3, 8, 6, 6, 14, 25, 21, 15, 15, 21
  • 3, 9, 6, 6, 16, 26, 20, 14, 14, 26
  • 4, 5, 4, 5, 5, 11, 19, 16, 14, 17
  • 4, 5, 4, 5, 5, 13, 23, 22, 20, 20
  • 4, 5, 4, 7, 8, 10, 11, 10, 21, 25
  • 4, 5, 4, 7, 9, 14, 20, 18, 29, 33
  • 4, 6, 6, 9, 10, 21, 25, 15, 17, 19
  • 5, 6, 4, 7, 9, 13, 16, 15, 24, 29
  • 5, 6, 4, 9, 12, 14, 16, 15, 28, 33
  • 5, 7, 6, 11, 13, 21, 23, 13, 21, 23
  • 7, 4, 4, 4, 11, 14, 10, 17, 17, 28
  • 7, 4, 4, 4, 13, 18, 15, 21, 21, 38
  • 8, 6, 6, 6, 22, 28, 14, 16, 14, 28
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