Structure 4106923

4106922 << 4106923 >> 4106950
Original COD entry Download CIF Download DOT

Citation: Tao Wu; Fan Zuo; Le Wang; Xianhui Bu; Shou-Tian Zheng; Richard Ma; Pingyun Feng (2011). A Large Indium Sulfide Supertetrahedral Cluster Built from Integration of ZnS-like Tetrahedral Shell with NaCl-like Octahedral Core. Journal of the American Chemical Society, 133, pp. 15886-15889.

Formula: C2 In40 N9 O8 S66

Chemical name: ?

Cell parameters:

  • a = 36.0575(14) Å
  • b = 26.5202(11) Å
  • c = 28.8726(13) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 2

Formula: In80 O16 S132 (In20 O4 S33)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 7, 6, 9, 16, 15, 24, 15
  • 1, 4, 4, 7, 9, 17, 19, 24, 41, 46
  • 1, 5, 11, 35, 18, 26, 8, 3, 6, 6
  • 1, 5, 11, 35, 18, 26, 8, 4, 7, 4
  • 1, 5, 11, 35, 18, 26, 8, 4, 10, 8
  • 1, 5, 11, 35, 18, 26, 8, 5, 11, 6
  • 2, 5, 3, 9, 9, 21, 18, 27, 48, 45
  • 2, 6, 8, 24, 21, 25, 8, 14, 7, 9
  • 2, 6, 8, 24, 21, 25, 8, 14, 8, 10
  • 2, 6, 8, 24, 21, 25, 9, 15, 6, 11
  • 2, 6, 8, 24, 21, 25, 9, 18, 9, 9
  • 2, 6, 8, 24, 21, 25, 9, 18, 11, 14
  • 2, 6, 8, 24, 21, 25, 10, 19, 8, 11
  • 2, 6, 8, 24, 21, 25, 10, 19, 9, 15
  • 2, 7, 6, 11, 12, 19, 29, 30, 49, 46
  • 2, 7, 7, 9, 16, 13, 30, 15, 6, 3
  • 2, 7, 8, 13, 19, 17, 36, 25, 19, 18
  • 2, 7, 9, 14, 18, 19, 36, 29, 18, 21
  • 2, 7, 10, 18, 16, 25, 19, 9, 3, 9
  • 2, 7, 10, 18, 16, 25, 19, 9, 4, 10
  • 2, 7, 10, 18, 17, 29, 22, 13, 8, 15
  • 2, 7, 10, 18, 17, 29, 22, 13, 9, 16
  • 2, 7, 10, 18, 17, 29, 22, 13, 10, 20
  • 2, 7, 10, 18, 18, 30, 21, 15, 8, 19
  • 2, 7, 10, 18, 18, 30, 21, 15, 9, 23
  • 3, 8, 5, 13, 12, 23, 28, 33, 56, 45
  • 3, 10, 9, 17, 12, 33, 15, 6, 3, 4
  • 3, 10, 9, 17, 13, 37, 18, 10, 9, 13
  • 3, 10, 9, 17, 14, 38, 17, 12, 9, 16
  • 4, 3, 7, 6, 9, 16, 15, 24, 15, 6
  • 4, 4, 11, 9, 13, 22, 25, 37, 30, 31
  • 4, 5, 12, 8, 15, 22, 29, 36, 33, 38
  • 4, 6, 18, 17, 30, 14, 14, 5, 9, 7
  • 4, 6, 18, 17, 30, 14, 14, 6, 10, 6
  • 4, 6, 18, 17, 30, 15, 18, 7, 9, 10
  • 4, 6, 18, 17, 30, 15, 18, 8, 10, 9
  • 4, 6, 18, 17, 30, 15, 18, 9, 14, 12
  • 4, 6, 18, 17, 30, 16, 19, 6, 11, 10
  • 4, 6, 18, 17, 30, 16, 19, 7, 15, 13
  • 4, 18, 17, 33, 15, 14, 5, 3, 9, 8
  • 4, 18, 17, 33, 15, 14, 5, 4, 10, 6
  • 4, 18, 17, 33, 15, 15, 9, 5, 9, 11
  • 4, 18, 17, 33, 15, 15, 9, 6, 10, 9
  • 4, 18, 17, 33, 15, 15, 9, 7, 14, 11
  • 4, 18, 17, 33, 15, 16, 10, 4, 11, 10
  • 4, 18, 17, 33, 15, 16, 10, 5, 15, 12
  • 5, 4, 7, 9, 17, 19, 24, 41, 46, 63
  • 5, 8, 12, 16, 13, 30, 15, 6, 3, 4
  • 5, 8, 12, 17, 17, 33, 19, 12, 13, 16
  • 5, 8, 12, 18, 18, 32, 21, 12, 17, 14
  • 6, 11, 35, 18, 26, 8, 3, 6, 6, 13
  • 6, 11, 35, 18, 26, 8, 4, 7, 4, 14
  • 6, 11, 35, 18, 26, 8, 4, 10, 8, 13
  • 6, 11, 35, 18, 26, 8, 5, 11, 6, 14
  • 6, 18, 16, 48, 12, 4, 4, 4, 13, 8
  • 9, 12, 17, 13, 33, 15, 6, 3, 4, 13
  • 9, 12, 17, 13, 34, 19, 9, 7, 9, 19
  • 9, 12, 17, 13, 35, 20, 8, 9, 8, 22
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: In80 O16 S132 (In20 O4 S33)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 7, 6, 9, 16, 15, 24, 15
  • 1, 4, 4, 7, 9, 17, 19, 24, 41, 46
  • 1, 5, 11, 35, 18, 26, 8, 3, 6, 6
  • 1, 5, 11, 35, 18, 26, 8, 4, 7, 4
  • 1, 5, 11, 35, 18, 26, 8, 4, 10, 8
  • 1, 5, 11, 35, 18, 26, 8, 5, 11, 6
  • 2, 5, 3, 9, 9, 21, 18, 27, 48, 45
  • 2, 6, 8, 24, 21, 25, 8, 14, 7, 9
  • 2, 6, 8, 24, 21, 25, 8, 14, 8, 10
  • 2, 6, 8, 24, 21, 25, 9, 15, 6, 11
  • 2, 6, 8, 24, 21, 25, 9, 18, 9, 9
  • 2, 6, 8, 24, 21, 25, 9, 18, 11, 14
  • 2, 6, 8, 24, 21, 25, 10, 19, 8, 11
  • 2, 6, 8, 24, 21, 25, 10, 19, 9, 15
  • 2, 7, 6, 11, 12, 19, 29, 30, 49, 46
  • 2, 7, 7, 9, 16, 13, 30, 15, 6, 3
  • 2, 7, 8, 13, 19, 17, 36, 25, 19, 18
  • 2, 7, 9, 14, 18, 19, 36, 29, 18, 21
  • 2, 7, 10, 18, 16, 25, 19, 9, 3, 9
  • 2, 7, 10, 18, 16, 25, 19, 9, 4, 10
  • 2, 7, 10, 18, 17, 29, 22, 13, 8, 15
  • 2, 7, 10, 18, 17, 29, 22, 13, 9, 16
  • 2, 7, 10, 18, 17, 29, 22, 13, 10, 20
  • 2, 7, 10, 18, 18, 30, 21, 15, 8, 19
  • 2, 7, 10, 18, 18, 30, 21, 15, 9, 23
  • 3, 8, 5, 13, 12, 23, 28, 33, 56, 45
  • 3, 10, 9, 17, 12, 33, 15, 6, 3, 4
  • 3, 10, 9, 17, 13, 37, 18, 10, 9, 13
  • 3, 10, 9, 17, 14, 38, 17, 12, 9, 16
  • 4, 3, 7, 6, 9, 16, 15, 24, 15, 6
  • 4, 4, 11, 9, 13, 22, 25, 37, 30, 31
  • 4, 5, 12, 8, 15, 22, 29, 36, 33, 38
  • 4, 6, 18, 17, 30, 14, 14, 5, 9, 7
  • 4, 6, 18, 17, 30, 14, 14, 6, 10, 6
  • 4, 6, 18, 17, 30, 15, 18, 7, 9, 10
  • 4, 6, 18, 17, 30, 15, 18, 8, 10, 9
  • 4, 6, 18, 17, 30, 15, 18, 9, 14, 12
  • 4, 6, 18, 17, 30, 16, 19, 6, 11, 10
  • 4, 6, 18, 17, 30, 16, 19, 7, 15, 13
  • 4, 18, 17, 33, 15, 14, 5, 3, 9, 8
  • 4, 18, 17, 33, 15, 14, 5, 4, 10, 6
  • 4, 18, 17, 33, 15, 15, 9, 5, 9, 11
  • 4, 18, 17, 33, 15, 15, 9, 6, 10, 9
  • 4, 18, 17, 33, 15, 15, 9, 7, 14, 11
  • 4, 18, 17, 33, 15, 16, 10, 4, 11, 10
  • 4, 18, 17, 33, 15, 16, 10, 5, 15, 12
  • 5, 4, 7, 9, 17, 19, 24, 41, 46, 63
  • 5, 8, 12, 16, 13, 30, 15, 6, 3, 4
  • 5, 8, 12, 17, 17, 33, 19, 12, 13, 16
  • 5, 8, 12, 18, 18, 32, 21, 12, 17, 14
  • 6, 11, 35, 18, 26, 8, 3, 6, 6, 13
  • 6, 11, 35, 18, 26, 8, 4, 7, 4, 14
  • 6, 11, 35, 18, 26, 8, 4, 10, 8, 13
  • 6, 11, 35, 18, 26, 8, 5, 11, 6, 14
  • 6, 18, 16, 48, 12, 4, 4, 4, 13, 8
  • 9, 12, 17, 13, 33, 15, 6, 3, 4, 13
  • 9, 12, 17, 13, 34, 19, 9, 7, 9, 19
  • 9, 12, 17, 13, 35, 20, 8, 9, 8, 22
span 1 {1 1 1}