Serendipitous Synthesis of an Octahedral Ni(II) Complex: Single Crystal Structure, Hirshfeld Surface and Voids Analysis

The title compound, C 50 H 42 N 4 NiO 6 P 2 ·2(ClO 4 ) was synthesized serendipitously by the reaction of Ni(ClO 4 ) 2 ∙6H 2 O with newly synthesized Schiff base ligand and PPh 3 in MeOH and its molecular and crystal structures were determined by single crystal X-ray analysis. It belongs to triclinic system P1̅ space group with a = 10.7936(4) Å, b = 12.2926(4) Å, c = 19.6272(6) Å, α = 92.574(3)°, β = 95.527(3)°, γ = 102.898(4)°, Z = 2 and V = 2520.73(15) Å 3 . In the crystal structure, the intra- and intermolecular N–H⋯O hydrogen bonds link the uncoordinated perchlorate anions to the mother molecule. A weak C–H⋯π interaction is also observed. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H…H (43.9