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Poly[[aqua-(?-4,4'-bipyridyl-?N:N')bis-(?-formato-?O:O')iron(II)] tetra-hydrate].

ABSTRACT: In the title compound, {[Fe(CHO(2))(2)(C(10)H(8)N(2))(H(2)O)]·4H(2)O}(n), the Fe(II) ion is coordinated by two 4,4'-bipyridyl (4,4'-bpy) ligands, three formate ligands and one water molecule. The slightly distorted octahedral FeN(2)O(4) coordination results from the N atoms of two bridging 4,4'-bpy ligands, the O atoms of two bridging HCOO(-) anions of anti-anti mode, all in trans positions around the metal centre, and the O atoms of one terminal HCOO(-) anion and of one water molecule. The bridging formate ligands link the metal ions into chains that are further connected via 4,4'-bpy ligands into a framework structure. The three-dimensional structure is stabilized by extensive O-H?O hydrogen bonding. The crystals were twinned containing a 0.84:0.16 racemate.

SUBMITTER: Jiang B

PROVIDER: S-EPMC2970270 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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Poly[[aqua-(μ-4,4'-bipyridyl-κN:N')bis-(μ-formato-κO:O')iron(II)] tetra-hydrate].

Jiang Bin B Liu Zhilu Z

Acta crystallographica. Section E, Structure reports online 20090909 Pt 10

In the title compound, {[Fe(CHO(2))(2)(C(10)H(8)N(2))(H(2)O)]·4H(2)O}(n), the Fe(II) ion is coordinated by two 4,4'-bipyridyl (4,4'-bpy) ligands, three formate ligands and one water molecule. The slightly distorted octahedral FeN(2)O(4) coordination results from the N atoms of two bridging 4,4'-bpy ligands, the O atoms of two bridging HCOO(-) anions of anti-anti mode, all in trans positions around the metal centre, and the O atoms of one terminal HCOO(-) anion and of one water molecule. The brid ...[more]

PMID: 21577722

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Project description:The crystal structure of the title compound, (C(10)H(9)N(2))(2)[Mn(2)(C(10)H(8)N(2))(3)(H(2)O)(8)](C(8)H(3)O(7)S)(2)·C(10)H(8)N(2)·15H(2)O, consists of dinuclear Mn(II) complex cations, sulfonato-benzene-dicarboxyl-ate trianions, 4-(4-pyridyl)pyridinium cations, uncoordin-ated 4,4'-bipyridine and uncoordinated water mol-ecules. One 4,4'-bipyridine mol-ecule bridges two Mn atoms, forming a centrosymmetric dinuclear complex; the mid-point of the C-C bond linking the pyridine rings of the bridging ligand is located on an inversion center. Each Mn(II) atom is coordinated by four water and two 4,4'-bipyridine mol-ecules in a distorted octa-hedral geometry. The Mn(II) atom deviates by 0.591?(5) and 0.209?(2)?Å from the mean planes of the coordinated pyridine rings. In the 4-(4-pyridyl)pyridinium cation, the two pyridine rings are twisted with respect to each other, making dihedral angle of 34.78?(17)°. The uncoordinated bipyridine mol-ecule is also centrosymmetric. One of uncoordinated water mol-ecules has site symmetry 2, and the other uncoordinated water mol-ecule is located close to an inversion center and its one H atom is disordered equally over two sites. Extensive ?-? stacking between pyridine rings is observed and an extensive hydrogen-bonding network of the types N-H?N, O-H?N and O-H?O is present.

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