Structure 7017727

7017726 << 7017727 >> 7017728
Original COD entry Download CIF Download DOT

Citation: Jess, Inke; Boeckmann, Jan; N\"ather, Christian (2012). New cadmium thio- and selenocyanato coordination compounds: structural snapshots on the reaction pathway to more condensed anionic networks.. Dalton transactions (Cambridge, England : 2003), 41, pp. 228-236.

Formula: C12 H8 Cd2 N8 Se4

Chemical name: poly[bis(selenocyanato-N)-bis(selenocyanato-Se)-(\m2-pyrimidine-N,N')cadmium(II)]

Cell parameters:

  • a = 8.6778(3) Å
  • b = 16.7503(5) Å
  • c = 29.2877(8) Å
  • α = 90.00°
  • β = 92.158(2)°
  • 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: C96 H64 Cd16 N64 Se32 (C6 H4 Cd N4 Se2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 3, 11, 12, 16, 14, 52, 64
  • 1, 2, 4, 8, 7, 13, 13, 34, 41, 74
  • 1, 2, 4, 13, 13, 16, 14, 52, 64, 90
  • 1, 2, 4, 13, 13, 16, 14, 52, 64, 92
  • 2, 2, 10, 14, 22, 18, 54, 62, 88, 58
  • 2, 2, 10, 14, 22, 18, 54, 62, 90, 61
  • 2, 6, 8, 16, 16, 38, 42, 72, 58, 113
  • 2, 6, 8, 16, 16, 38, 42, 72, 59, 116
  • 2, 6, 8, 16, 16, 38, 42, 72, 59, 119
  • 2, 6, 8, 16, 16, 38, 42, 72, 60, 122
  • 3, 4, 3, 11, 12, 16, 14, 52, 64, 90
  • 3, 4, 3, 11, 12, 16, 14, 52, 64, 92
  • 3, 4, 8, 7, 13, 13, 34, 41, 74, 59
  • 3, 4, 8, 7, 13, 13, 34, 41, 74, 60
  • 3, 4, 8, 7, 13, 13, 34, 41, 74, 61
  • 3, 4, 13, 13, 16, 14, 52, 64, 90, 56
  • 3, 4, 13, 13, 16, 14, 52, 64, 92, 59
  • 3, 9, 9, 14, 13, 34, 41, 74, 59, 111
  • 3, 9, 9, 14, 13, 34, 41, 74, 60, 114
  • 3, 9, 9, 14, 13, 34, 41, 74, 60, 117
  • 3, 9, 9, 14, 13, 34, 41, 74, 61, 120
  • 6, 8, 12, 10, 32, 40, 60, 39, 94, 112
  • 6, 8, 12, 10, 32, 40, 60, 40, 100, 120
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