Trichloridotris{N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine-κ2 N,N′}neodymium(III)

In the title compound, [NdCl3(C12H10N2O)3], the central NdIII ion is nine-coordinated by six N atoms from three bidentate chelate N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine ligands and three Cl− ions, and displays a distorted tricapped trigonal prismatic geometry. The complex molecules are stabilized by intramolecular O—H⋯Cl hydrogen bonds.

In the title compound, [NdCl 3 (C 12 H 10 N 2 O) 3 ], the central Nd III ion is nine-coordinated by six N atoms from three bidentate chelate N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine ligands and three Cl À ions, and displays a distorted tricapped trigonal prismatic geometry. The complex molecules are stabilized by intramolecular O-HÁ Á ÁCl hydrogen bonds.
The author appreciates financial support from Yanan University (grant No. YD2011-20) and the Science and Technology Bureau of Yanan City (grant No. kn2009-16).

Hua Yang Comment
The coordination chemistry of oximes (Kukushkin & Pombeiro, 1999;Milios et al., 2007) continues to attract considerable attention, with the efforts of several research groups driven by a number of considerations. These include the use of metal oxime complexes in supramolecular chemistry (Fritsky et al., 2004) and the employment of oximate ligands in the synthesis of complexes with interesting magnetic properties (Xu et al., 2007;Papatriantafyllopoulou et al., 2009;Milios et al., 2007). N-[phenyl(pyridine-2-yl)methylidene]hydroxylamine [(py)C(ph)NOH], is one of the oximes that is currently a popular ligand for synthesis of the 3d-metal complexes (Milios et al., 2003;Milios et al., 2004). However, the structures of rare earth metal complexes with this ligand are uncommon in the crystallographic literature. Here we report the structure of the neodymium complex with [(py)C(ph)NOH], the title compound [NdCl 3 (C 12 H 10 N 2 O) 3 ], which was synthesized by the reaction of NdCl 3 . 6H 2 O with the ligand under autogenous pressure. The title compound is isomorphous with the Sm III analogue (Lei et al., 2012).

Refinement
H atoms were placed in calculated positions and included in the refinement using a riding-model approximation, with C -H = 0.93 Å and O-H = 0.82 Å, and with U iso (H) = 1.2U eq (C) or 1.5U eq (O).

Trichloridotris{N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine-κ 2 N,N′}neodymium(III)
Crystal data [NdCl 3 (C 12   where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max = 0.002 Δρ max = 0.50 e Å −3 Δρ min = −0.44 e Å −3 Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.