In
this work, we report a new octanuclear cluster based on Fe
III
and the ligand 1
H
-imidazole-4,5-dicarboxylic
acid, [Et
3
NH]
12
[Fe
8
(IDC)
12
]·10DMF·13H
2
O (
1
), with a metal
core containing eight Fe
III
connected by only one type
of organic ligand. A peak at 573
m
/
z
in the mass spectra of the compound suggests the adduct species
{[Fe
8
(IDC)
12
]+8H}
4–
. By X-ray
photoelectron spectroscopy, the oxidation state of the iron cation
was confirmed to be 3+, also identifying the presence of a quaternary
nitrogen species, which act as a countercation of the anionic metal
core [Fe
8
(IDC)
12
]
12–
. Mössbauer
spectra recorded at different temperatures show an isomer shift and
quadrupole splitting parameters that confirm the existence of only
Fe
III
-HS in the structure of
1
. X-ray analysis
reveals that compound
1
crystallizes in the orthorhombic
system space group
Ibam
, confirming a molecular cluster
structure with an almost regular cube as geometry, with the Fe
III
atoms located at the corners of the cube and connected
by μ-1κ
2
N
,
O
:2κ
2
N
′,
O
‴-IDC
3–
bridges. Additionally, the magnetic
measurements reveal a weak antiferromagnetic coupling in the Fe
8
III
coordination cluster (
J
=
−3.8 cm
–1
). To the best of our knowledge,
1
is the first member of the family of cubes assembled with
1
H
-imidazole-4,5-dicarboxylic acid and Fe
III
cation, exhibiting high pH stability over a broad pH range, making
it an ideal candidate for the design of supramolecular structures
and metal–organic frameworks.