Abstract
AbstractThe neutral mer‐triaquatrichloroiron(III) molecule, mer‐[(H2O)3FeCl3], has been structurally defined, co‐crystallized with a pair of organic‐cation/chloride salts, from hydrochloric acid solution in each case. The array {[HN(CH2CH2)3NH]Cl2}{mer‐[(H2O)3FeCl3]}, (1) has been previously described in a room‐temperature study in terms of orthorhombic Pnma symmetry; here, at low‐temperature (ca. 153 K), the description is in terms of P212121, with the complex of quasi‐m symmetry. Full m symmetry is achieved in the second complex, {[H2N(CH2CH2)2NH2]Cl2}{mer‐[(H2O)3FeCl3]}, (2) which crystallizes in space group P21/m. Fe–Cl and Fe–O(H2) are very tightly ranged in 1, < > 2.3359(6), 2.051(5) Å, respectively, less so in 2 (2.326(1), 2.340(1); 2.049(2)–2.080(2) Å), despite strong hydrogen‐bonding in the lattice between the hydrogen atoms of the coordinated water molecules and the uncoordinated chloride ions. A redetermination of the structure of FeCl3·6H2O (3), trans‐tetraquadichloroiron(III) chloride dihydrate, is also recorded; at 100 K,Fe–Cl,O are 2.2830(4), 2.0543(9) Å.
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