Tetrachlorido(1,10-phenanthroline-κ2 N,N′)platinum(IV) monohydrate

In the title complex, [PtCl4(C12H8N2)]·H2O, the Pt4+ ion is six-coordinated in a distorted octahedral environment by two N atoms of a 1,10-phenanthroline ligand and by four Cl atoms. As a result of the different trans effects of the N and Cl atoms, the Pt—Cl bonds trans to the N atom are slightly shorter than those trans to the Cl atom. The compound displays intermolecular π–π interactions between the six-membered rings, with a centroid–centroid distance of 3.834 Å. There are also weak intramolecular C—H⋯Cl hydrogen bonds. According to the IR spectrum, solvent water was present in the crystal, but owing to the high thermal motion of the uncoordinated O atom, the H atoms could not be detected.

In the title complex, [PtCl 4 (C 12 H 8 N 2 )]ÁH 2 O, the Pt 4+ ion is sixcoordinated in a distorted octahedral environment by two N atoms of a 1,10-phenanthroline ligand and by four Cl atoms. As a result of the different trans effects of the N and Cl atoms, the Pt-Cl bonds trans to the N atom are slightly shorter than those trans to the Cl atom. The compound displays intermolecularinteractions between the six-membered rings, with a centroid-centroid distance of 3.834 Å . There are also weak intramolecular C-HÁ Á ÁCl hydrogen bonds. According to the IR spectrum, solvent water was present in the crystal, but owing to the high thermal motion of the uncoordinated O atom, the H atoms could not be detected.

D-HÁ
There are also weak intramolecular C-H···Cl hydrogen bonds (Table 1). According to the IR spectrum, water was present in the crystal.

S2. Experimental
To a solution of K 2 PtCl 6 (0.3002 g, 0.618 mmol) in H 2 O (20 ml) was added 1,10-phenanthroline (0.1108 g, 0.615 mmol) in MeOH (10 ml), and stirred for 3 h at room temperature. The formed precipitate was separated by filtration and washed with water and MeOH and dried under vacuum, to give a yellow powder (0.1655 g). Crystals suitable for X-ray analysis were obtained by slow evaporation from a CH 2 Cl 2 solution. IR (KBr): 3424 cm -1 (broad).

S3. Refinement
H atoms were positioned geometrically and allowed to ride on their respective parent atoms [C-H = 0.93 Å and U iso (H) = 1.2U eq (C)]. Due to the high thermal motion of the oxygen atom of the solvent H 2 O molecule, the H atoms could neither be located from Fourier difference maps, nor added geometrically.  The structure of the title compound, with displacement ellipsoids drawn at the 30% probability level for non-H atoms.  View of the unit-cell contents of the title compound.

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.