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An Intermolecular Hydrogen Bridge between a Porphyrinoid μ‐Oxido Diiron(III) Host and a Guest Water Molecule
Author(s) -
Bröring Martin,
Ostapowicz Thomas,
Funk Markus
Publication year - 2010
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.200900438
Subject(s) - triclinic crystal system , crystallography , dichloromethane , molecule , hydrogen bond , chemistry , octahedron , intermolecular force , crystal structure , solvent , stereochemistry , organic chemistry
μ‐Oxido‐bis[(hexaethyldimethyl‐2,2′‐bidipyrrinato)iron(III)] ( 1 ) crystallizes as a mixed dichloromethane/water solvate as black plates in the triclinic system, space group P \bar{1} , with a = 14.536(3), b = 16.194(3), c = 25.883(5) Å, α = 98.89(3)°, β = 91.28(3)°, γ = 90.56(3)°, and Z = 2. In the crystal structure two distinct solvates 1· CH 2 Cl 2 and 1· H 2 O are present in equal ratio. In both cases the solvent is found in direct vicinity of the Fe–O–Fe subunit and is located within a binding pocket formed by the two helically distorted tetrapyrroles. Whereas the dichloromethane molecule is oriented within this pocket as a dipole with the positive end pointing towards the oxygen atom of the Fe–O–Fe subunit, the water molecule forms a hydrogen bond with this site, supported by additional weak interactions with adjacent N‐donor atoms.