Structure 7012817

7012816 << 7012817 >> 7012823
Original COD entry Download CIF Download DOT

Citation: Abu-Shandi, Khalid; Winkler, Heiner; Gerdan, Michael; Emmerling, Franziska; Wu, Biao; Janiak, Christoph (2003). Mixed-valence phosphato?hydrogenphosphato?iron network compounds 1?{[C4N2H11.6]1.5[FeIIFeIII(PO4)(H0.8PO4)2]�H2O} and 3?[FeII5FeIII2(PO4)2(H0.5PO4)4]: structure elucidation with the help of M�ssbauer spectroscopy and a caveat on X-ray diffraction. Dalton Transactions, , pp. 2815-.

Formula: Fe3.5 H O12 P3

Chemical name: Bis(mu6,7-hydrogenphosphato)-tetrakis(mu7-phosphato)-di-iron(III)-penta-iron(II)

Cell parameters:

  • a = 6.562(3) Å
  • b = 7.980(4) Å
  • c = 9.536(4) Å
  • α = 103.874(6)°
  • β = 109.286(6)°
  • γ = 101.577(6)°

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: Fe7 H4 O24 P6 (Fe7 H4 O24 P6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 8, 13, 37, 43, 97, 87, 179, 166
  • 1, 2, 8, 14, 40, 42, 95, 91, 178, 157
  • 2, 8, 13, 38, 43, 96, 93, 178, 158, 298
  • 2, 8, 14, 42, 46, 102, 98, 189, 162, 302
  • 3, 8, 13, 37, 43, 97, 87, 179, 166, 311
  • 3, 8, 14, 40, 42, 95, 91, 178, 157, 297
  • 3, 11, 15, 44, 49, 105, 97, 193, 174, 318
  • 3, 11, 17, 44, 44, 102, 97, 188, 170, 322
  • 3, 11, 17, 46, 47, 101, 97, 199, 177, 306
  • 3, 11, 17, 48, 52, 109, 104, 208, 179, 321
  • 3, 12, 16, 45, 50, 109, 104, 197, 168, 319
  • 3, 12, 17, 46, 51, 108, 102, 198, 172, 320
  • 3, 12, 19, 42, 43, 104, 95, 194, 176, 310
  • 3, 13, 17, 44, 49, 110, 107, 193, 161, 311
  • 4, 7, 26, 31, 70, 72, 151, 136, 254, 215
  • 4, 7, 28, 32, 70, 70, 153, 135, 250, 219
  • 4, 8, 28, 31, 73, 76, 150, 130, 252, 219
  • 5, 8, 26, 32, 74, 70, 152, 142, 254, 220
  • 6, 9, 26, 31, 80, 80, 150, 136, 263, 218
  • 6, 10, 24, 29, 74, 67, 142, 134, 256, 224
  • 6, 10, 30, 34, 82, 86, 164, 140, 268, 222
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