Using pseudohalides (NCS−, N3−) as a probe for the active site of (μ-alkoxo)diiron(III) complexes and to reveal a novel asymmetrical structure

Horng, Den-Nan; Lee, Kwang‐Ming

doi:10.1039/a901905g

Cited by 6 publications

(3 citation statements)

References 23 publications

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“…In these native enzymes, the average separation between the metal ions is about 3.5 Å . Currently, dinuclear and polynuclear hydroxo-, alkoxoand phenoxo-bridged complexes are of interest in chemistry and in biochemistry, some of which have been proven to be effective chemical nucleases [11][12][13][14][15][16][17]. For example, Karlin have discovered a dicopper complex [Cu 2 (PD 0 O)-(H 2 O) 2 ](ClO 4 ) 3 AE 2H 2 O that predominantly effects DNA base (rather than ribose) oxidation on G residues in single-stranded regions of DNA [11].…”

Section: Introductionmentioning

confidence: 99%

Synthesis, crystal structure, magnetic property and nuclease activity of a new binuclear cobat(II) complex

Tian

Liu

et al. 2007

Journal of Inorganic Biochemistry

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Section: Introductionmentioning

confidence: 99%

Synthesis, crystal structure, magnetic property and nuclease activity of a new binuclear cobat(II) complex

Tian

Liu

et al. 2007

Journal of Inorganic Biochemistry

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“…In this context, it is noted that compounds with transition metals coordinated by a halide anion and a thiocyanate anion with 3-cyanopyridine are unknown. In general, only one Fe compound is found in the CSD (see Database survey) in which the Fe II cation is coordinated by one chloride anion, one thiocyanate anion and an N-donor ligand (Horng & Lee, 1999). Concerning the synthesis of such compounds, most compounds reported in literature were prepared by the reaction of one equivalent of a transition metal-halide salt with one or two equivalents of potassium or ammonium thiocyanate, very similar to the synthesis of the title compound, but in none of these publications was the purity of the compounds investigated by X-ray powder diffraction (PXRD).…”

Section: Chemical Contextmentioning

confidence: 99%

Synthesis, crystal structure and properties of chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)

Müller-Meinhard,

Jess,

Näther

2023

Acta Cryst E

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Reaction of FeCl2·4H2O with KSCN and 3-cyanopyridine (pyridine-3-carbonitrile) in ethanol accidentally leads to the formation of single crystals of Fe(NCS)(Cl)(3-cyanopyridine)4 or [FeCl(NCS)(C6H4N2)4]. The asymmetric unit of this compound consists of one FeII cation, one chloride and one thiocyanate anion that are located on a fourfold rotation axis as well as of one 3-cyanopyridine coligand in a general position. The FeII cations are sixfold coordinated by one chloride anion and one terminally N-bonding thiocyanate anion in trans-positions and four 3-cyanopyridine coligands that coordinate via the pyridine N atom to the FeII cations. The complexes are arranged in columns with the chloride anions, with the thiocyanate anions always oriented in the same direction, which shows the non-centrosymmetry of this structure. No pronounced intermolecular interactions are observed between the complexes. Initially, FeCl2 and KSCN were reacted in a 1:2 ratio, which lead to a sample that contains the title compound as the major phase together with a small amount of an unknown crystalline phase, as proven by powder X-ray diffraction (PXRD). If FeCl2 and KSCN is reacted in a 1:1 ratio, the title compound is obtained as a nearly pure phase. IR investigations reveal that the CN stretching vibration for the thiocyanate anion is observed at 2074 cm−1, and that of the cyano group at 2238 cm−1, which also proves that the anionic ligands are only terminally bonded and that the cyano group is not involved in the metal coordination. Measurements with thermogravimetry and differential thermoanalysis reveal that the title compound decomposes at 169°C when heated at a rate of 4°C min−1 and that the 3-cyanopyridine ligands are emitted in two separate poorly resolved steps. After the first step, an intermediate compound with the composition Fe(NCS)(Cl)(3-cyanopyridine)2 of unknown structure is formed, for which the CN stretching vibration of the thiocyanate anion is observed at 2025 cm−1, whereas the CN stretching vibration of the cyano group remain constant. This strongly indicates that the FeII cations are linked by μ-1,3-bridging thiocyanate anions into chains or layers.

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“…The FeÐCl2 bond [2.3299 (9) A Ê ] is signi®cantly longer than the FeÐCl1 bond [2.2426 (9) A Ê ], due to the different trans in¯uences of the tertiary amine and benzimidazole groups (Horng & Lee, 1999). Three TBA N atoms coordinate to Fe 3+ , with angles of 86.00 (9) for N2ÐFe1ÐN6 and 86.53 (9) for N4ÐFe1ÐN6, very similar to the values of 84.9 (1) and 86.1 (1) in [FeCl 2 (TBA)]ClÁ3CH 3 OH (Pascaly et al, 2000) and 86.9 (2) and 86.8 (2) in [FeCl 2 (TBA)]ClO 4 (Kwak et al, 1999).…”

Section: Commentmentioning

confidence: 99%

cis-Dichloro[tris(2-benzimidazolylmethyl)amine]iron(III) chloride ethanol dihydrate: hydrogen bonding changing the arrangement of tapes built from π–π and C—H...π interactions

et al. 2006

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Using pseudohalides (NCS−, N3−) as a probe for the active site of (μ-alkoxo)diiron(III) complexes and to reveal a novel asymmetrical structure

Cited by 6 publications

References 23 publications

Synthesis, crystal structure, magnetic property and nuclease activity of a new binuclear cobat(II) complex

Synthesis, crystal structure, magnetic property and nuclease activity of a new binuclear cobat(II) complex

Synthesis, crystal structure and properties of chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)

cis-Dichloro[tris(2-benzimidazolylmethyl)amine]iron(III) chloride ethanol dihydrate: hydrogen bonding changing the arrangement of tapes built from π–π and C—H...π interactions

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