Structure 7020767

7020749 << 7020767 >> 7020822
Original COD entry Download CIF Download DOT

Citation: Barnes, Nicholas A.; Godfrey, Stephen M.; Hughes, Jill; Khan, Rana Z.; Mushtaq, Imrana; Ollerenshaw, Ruth T. A.; Pritchard, Robin G.; Sarwar, Shamsa (2013). The reactions of para-halo diaryl diselenides with halogens. A structural investigation of the CT compound (p-FC(6)H(4))(2)Se(2)I(2), and the first reported "RSeI(3)" compound, (p-ClC(6)H(4))SeI·I(2), which contains a covalent Se-I bond.. Dalton transactions (Cambridge, England : 2003), 42, pp. 2735-2744.

Formula: C6 H4 Cl I3 Se

Cell parameters:

  • a = 5.83970(10) Å
  • b = 9.5545(2) Å
  • c = 11.6257(3) Å
  • α = 105.6130(10)°
  • β = 101.4550(10)°
  • γ = 100.916(2)°

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: C12 H8 Cl2 I12 Se6 (C6 H4 Cl I6 Se3)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 6, 11, 22, 38, 57, 98, 138, 158
  • 1, 3, 7, 15, 27, 48, 77, 99, 136, 196
  • 2, 5, 10, 23, 29, 53, 93, 117, 162, 215
  • 2, 5, 12, 21, 39, 59, 85, 123, 163, 197
  • 3, 6, 11, 22, 38, 57, 98, 138, 158, 234
  • 3, 7, 14, 28, 48, 66, 99, 139, 179, 234
  • 3, 9, 14, 24, 50, 74, 97, 137, 193, 230
  • 3, 10, 18, 28, 46, 69, 114, 146, 181, 243
  • 4, 7, 14, 26, 41, 66, 106, 134, 182, 240
  • 4, 7, 15, 27, 48, 77, 99, 136, 196, 233
  • 4, 7, 16, 31, 48, 73, 105, 142, 176, 225
  • 4, 8, 14, 28, 48, 70, 103, 143, 179, 240
  • 4, 9, 13, 33, 51, 63, 114, 153, 176, 232
  • 4, 9, 17, 26, 42, 80, 108, 135, 207, 232
  • 4, 10, 18, 31, 55, 83, 105, 137, 199, 233
  • 4, 12, 17, 29, 61, 82, 101, 148, 189, 233
  • 5, 7, 17, 33, 51, 76, 111, 141, 182, 230
  • 5, 7, 19, 31, 48, 82, 107, 133, 198, 223
  • 5, 8, 19, 28, 41, 82, 109, 148, 202, 224
  • 6, 10, 19, 37, 53, 79, 119, 148, 186, 245
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