Structure 1535565

1535563 << 1535565 >> 1535566
Original COD entry Download CIF Download DOT

Citation: Mosset, A.; Lecchi, A.; Bagieu-Beucher, M.; Masse, R.; Zaccaro, J. (2002). Crystal engineering strategy of thiocyanates for quadratic nonlinear optics. Hg3 Cd Cl2 (S C N)6 and Hg4 Cd Br4 (S C N)6. Solid State Sciences, 4, pp. 827-834.

Formula: C6 Cd Cl2 Hg3 N6 S6

Chemical name: Hg3 Cd Cl2 (S C N)6

Cell parameters:

  • a = 11.2066 Å
  • b = 11.2066 Å
  • c = 59.9204 Å
  • α = 90°
  • β = 90°
  • γ = 120°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

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: C72 Cd12 Cl24 Hg36 N72 S72 (C6 Cd Cl2 Hg3 N6 S6)

Multiplicity: 1

Coordination sequences:

  • 2, 2, 8, 10, 15, 15, 35, 46, 101, 92
  • 2, 2, 8, 10, 16, 17, 40, 49, 101, 98
  • 2, 2, 8, 10, 17, 19, 36, 39, 85, 80
  • 2, 2, 8, 10, 18, 21, 42, 45, 93, 91
  • 2, 4, 6, 17, 17, 29, 34, 77, 78, 128
  • 2, 4, 6, 17, 19, 31, 32, 72, 69, 112
  • 2, 4, 6, 18, 19, 34, 37, 74, 78, 142
  • 2, 4, 6, 18, 21, 36, 35, 70, 72, 131
  • 2, 6, 6, 8, 8, 19, 27, 59, 64, 115
  • 2, 6, 6, 8, 8, 20, 29, 67, 73, 127
  • 2, 6, 6, 8, 10, 24, 28, 53, 57, 119
  • 2, 6, 6, 8, 10, 26, 33, 68, 72, 137
  • 3, 9, 11, 20, 23, 55, 54, 92, 84, 140
  • 3, 9, 12, 24, 25, 54, 51, 84, 87, 171
  • 4, 6, 13, 15, 31, 34, 71, 66, 108, 100
  • 4, 6, 14, 17, 36, 37, 68, 66, 119, 115
  • 6, 6, 6, 6, 15, 21, 45, 48, 90, 88
  • 6, 6, 6, 6, 16, 24, 57, 63, 117, 106
span 1 {1 1 1}