Tetrakis(nitrato-κ2 O,O′)[N,N′-1,4-phenylenebis(pyridine-4-carboxamide)-κN 1](4-{[4-(pyridine-4-carboxamido-κN 1)phenyl]carbamoyl}pyridin-1-ium)neodymium(III)

In the title compound, [Nd(NO3)4(C18H15N4O2)(C18H14N4O2)], the NdIII centre is located on a twofold axis and exhibits a ten-coordinated distorted bicapped square-antiprismatic geometry. The pyridinium NH H atom is disordered over the two ligands. Adjacent mononuclear clusters are linked through N—H⋯O and N—H⋯N hydrogen-bonding interactions, generating layers in the (102) plane.

In the title compound, [Nd(NO 3 ) 4 (C 18 H 15 N 4 O 2 )-(C 18 H 14 N 4 O 2 )], the Nd III centre is located on a twofold axis and exhibits a ten-coordinated distorted bicapped squareantiprismatic geometry. The pyridinium NH H atom is disordered over the two ligands. Adjacent mononuclear clusters are linked through N-HÁ Á ÁO and N-HÁ Á ÁN hydrogen-bonding interactions, generating layers in the (102) plane.

Refinement
The (C)H atoms of N,N′-bis(4-pyridylformamide)-1,4-benzene were calculated at idealized positions and included in the refinement in a riding mode. The (N)H atoms (H4A, H5A and H6) were located from difference Fourier maps and refined as riding modes with N-H = 0.89 Å and U(H) set to 1.2U eq (N). The H6 atom has an occupancy factor of 50% because it is disordered over two ligand molecules.

Figure 1
ORTEP diagram of the title compound. All hydrogen atoms bonded to carbon atoms have been omitted for clarity and thermal ellipsoids are presented at the 30% probability level. Symmetry code: (i) -x, y, -z + 1/2.

Tetrakis(nitrato-κ 2 O,O′)[N,N′-1,4phenylenebis(pyridine-4-carboxamide)-κN 1 ](4-{[4-(pyridine-4-carboxamido-κN 1 )phenyl]carbamoyl}pyridin-1-ium)neodymium(III)
Crystal data [Nd(NO 3   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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq Occ.