Structure 7015502

7015501 << 7015502 >> 7015503
Original COD entry Download CIF Download DOT

Citation: Saines, Paul J.; Yeung, Hamish H.-M.; Hester, James R.; Lennie, Alistair R.; Cheetham, Anthony K. (2011). Detailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and X-ray diffraction.. Dalton transactions (Cambridge, England : 2003), 40, pp. 6401-6410.

Formula: C7 H7 Fe O7

Cell parameters:

  • a = 8.6716(4) Å
  • b = 8.6716(4) Å
  • c = 10.8650(5) Å
  • α = 90°
  • β = 90°
  • γ = 120°

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: C21 H6 Fe3 O15 (C7 H2 Fe O5)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 6, 8, 18, 24, 37, 48, 60
  • 2, 7, 9, 16, 18, 28, 35, 47, 71, 88
  • 2, 7, 9, 18, 19, 27, 33, 44, 71, 89
  • 3, 4, 6, 8, 18, 24, 37, 48, 60, 66
  • 3, 4, 13, 14, 21, 29, 38, 47, 60, 103
  • 3, 5, 8, 12, 15, 28, 38, 49, 57, 87
  • 3, 6, 5, 12, 19, 27, 38, 49, 62, 71
  • 3, 6, 11, 10, 19, 22, 41, 42, 59, 91
  • 3, 12, 11, 20, 21, 34, 33, 50, 81, 105
  • 6, 8, 16, 18, 28, 28, 38, 62, 78, 132
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