Tris(cyclohexylammonium) cis-dichloridobis(oxalato-κ2 O 1,O 2)stannate(IV) chloride monohydrate

The crystal structure of the title compound, (C6H14N)3[Sn(C2O4)2Cl2]Cl·H2O, contains three cyclohexylammonium cations, one stannate(IV) dianion, one isolated chloride anion and one lattice water molecule. The cyclohexylammonium cations adopt chair conformations. In the complex anion, two bidentate oxalate ligands and two chloride anions in cis positions coordinate octahedrally to the central SnIV atom. The cohesion of the molecular entities is ensured by the formation of N—H⋯O, O—H⋯O, O—H⋯Cl and N—H⋯Cl interactions involving cations, anions and the lattice water molecule, giving rise to a layer-like arrangement parallel to (010).

The crystal structure of the title compound, (C 6 H 14 N) 3 -[Sn(C 2 O 4 ) 2 Cl 2 ]ClÁH 2 O, contains three cyclohexylammonium cations, one stannate(IV) dianion, one isolated chloride anion and one lattice water molecule. The cyclohexylammonium cations adopt chair conformations. In the complex anion, two bidentate oxalate ligands and two chloride anions in cis positions coordinate octahedrally to the central Sn IV atom. The cohesion of the molecular entities is ensured by the formation of N-HÁ Á ÁO, O-HÁ Á ÁO, O-HÁ Á ÁCl and N-HÁ Á ÁCl interactions involving cations, anions and the lattice water molecule, giving rise to a layer-like arrangement parallel to (010).

Related literature
For general background on organotin(IV) chemistry and applications, see: Evans & Karpel (1985); Davies et al. (2008). For previous studies of tin (IV)

D-HÁ
From a supramolecular view, three of the four oxygen atoms of each oxalato ligand are involved in hydrogen bonging interactions with the lattice water molecule and the surrounding cyclohexylammonium cations through O-H···O and N -H···O contacts, respectively (Table 1). The lattice water molecule is also involved in short contacts with the neighboring isolated Clanion and a [(C 6 H 11 NH 3 )] + cation through O-H···Cl and N-H···O contacts, respectively. The isolated Clanion is additionally hydrogen-bonded to the three cations through N-H···Cl interactions. The supramolecular contributions lead to the formation of layers extending parallel to (010) as shown in Fig. 2.

Experimental
All chemicals were purchased from Sigma-Aldrich or Merck and used without further purification. Crystals of the title compound were obtained by reacting [(C 6 H 14 N)] 2 [C 2 O 4 ] . 1.5H 2 O (0.14 g, 0.44 mmol) with SnCl 2 . 2H 2 O (0.2 g, 0.88 mmol) in 75 ml of ethanol (96% purity) in an 1:2 molar ratio. The mixture was stirred during several hours at room temperature.
Slow solvent evaporation yielded colorless crystals suitable for an X-ray crystallographic study.

Refinement
All H atoms, on carbon and nitrogen atoms, were placed at calculated positions using a riding model with C-H = 0.97 Å (methylene) or 0.98 Å (methine) or N-H = 0.89 Å (amine) with U iso (H) = 1.2U eq (C) or U iso (H) = 1.5U eq (N). H atoms on water molecule were located in Fourier difference maps and were refined using a riding model with U iso (H) = 1.2U eq (O).  The molecular structure of the title compound with partial atom labelling. Colour code: Sn light grey, O red, N blue, Cl green. Displacement ellipsoids are draw at the 30% probability level.