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Di-μ-iodido-bis-[acet-yl(4-methyl-2,6,7-trioxa-1-phosphabicyclo-[2.2.2]octa-ne)(N-nitroso-N-oxidoaniline-κO,O')rhodium(III)].

ABSTRACT: The title compound, [Rh(2)(C(6)H(5)N(2)O(2))(2)(C(2)H(3)O)(2)I(2)(C(5)H(9)O(3)P)(2)], contains a binuclear centrosymmetric Rh(III) dimer bridged by iodide anions, with respective Rh⋯Rh and I⋯I distances of 4.1437 (5) and 3.9144 (5) Å. The Rh(III) atom is in a distorted octa-hedral RhCI(2)O(2)P coordination with considerably different Rh-I distances to the bridging iodide anions. There are no classical hydrogen-bonding inter-actions observed for this complex.

SUBMITTER: Venter JA

PROVIDER: S-EPMC2971923 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:In the structures of 1:1 and 1:2 adducts of phosphanetricarbo-nitrile (C3N3P) with 1,4-di-aza-bicyclo-[2.2.2]octane (C6H12N2), the 1:1 adduct crystallizes in the ortho-rhom-bic space group, Pbcm, with four formula units in the unit cell (Z' = 0.5). The P(CN)3 unit lies on a crystallographic mirror plane while the C6H12N2 unit lies on a crystallographic twofold axis passing through one of the C-C bonds. The P(CN)3 moiety has close to C 3v symmetry and is stabilized by forming adducts with two symmetry-related C6H12N2 units. The phospho-rus atom is in a five-coordinate environment. As a result of the symmetry, the two trans angles are equal so τ5 = 0.00 and thus the geometrical description could be considered to be square pyramidal. However, the electronic geometry is distorted octa-hedral with the lone pair on the phospho-rous occupying the sixth position. As would be expected from VSEPR considerations, the repulsion of the lone-pair electrons with the equatorial bonding electrons means that the trans angles for the latter are considerably reduced from 180° to 162.01 (4)°, so the best description of the overall geometry for phospho-rus is distorted square pyramidal. The 1:2 adduct crystallizes in the monoclinic space group, P21/m with two formula units in the asymmetric unit (i.e. Z' = 1/2). The P(CN)3 moiety lies on a mirror plane and one of the two C6H12N2 (dabco) mol-ecules also lies on a mirror plane. The symmetry of the P(CN)3 unit is close to C 3v. There are three P⋯N inter-actions and consequently the mol-ecular geometry of the phospho-rus atom is distorted octa-hedral. This must mean that the lone pair of electrons on the phospho-rus atom is not sterically active. For the 1:1 adduct, there are weak associations between the phospho-rus atom and one of the terminal nitro-gen atoms from the C≡ N moiety, forming chains in the a-axis direction. In addition there are weak C-H⋯N inter-actions between a terminal nitro-gen atoms from the C≡N moiety and the C6H12N2 mol-ecules, which form sheets perpendicular to the a axis.

Dataset Information

Di-μ-iodido-bis-[acet-yl(4-methyl-2,6,7-trioxa-1-phosphabicyclo-[2.2.2]octa-ne)(N-nitroso-N-oxidoaniline-κO,O')rhodium(III)].

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