Crystal structures of bis[aquachlorotriphenyltin(IV)] dihydrate·1,4,7,10,13,16-hexacyclooctadecane bis[aquachlorotriphenyltin(IV)]·1,4,7,10,13,16-hexacyclooctadecane (3/1) (see abstract)

In the crystal structures of the centrosymmetric isostructural co-crystals, bis[aquahlorotriphenyltin] dihydrate·1,4,7,10,13,16-hexacyclooctadecane- bis[aquachlorotriphenyltin(IV)]·1,4,7,10,13,16-hexacyclooctadecane (3/1) 1 and bis[aquatrifluoroacetatotriphenyltin] dihydrate·1,4,7,10,13,16-hexacyclooctadecane- bis[aquatrifluoroacetatotriphenyltin(IV)]·1,4,7,10,13,16- hexacyclooctadecane(3/1) 2, the crown ether interacts with the triphenyltin unit through both the coordinated and lattice water molecules in one molecular entity, but only through the coordinated water molecule in the other. The tin atoms are five-coordinate in trans-trigonal bipyramidal environments. Compound 1 is refined on 204 variables and 4665 I > 3σ(I) reflections to R = 0.055, and compound 2 on 233 variables and 5721 I > 3σ(I) reflections to R = 0.052. For crystal 1: C₁₉₂H₂₄₄Cl₈O₃₈Sn₈, fw = 4392.99, trigonal, R3, a = 27.391(1), c = 23.007(1) Å, V= 14948(1) ų, Z = 3, D_c = 1.464 g/cm³, F(000) = 6708 and μ = 1.162 mm^-1; and for 2: C₂₀₈H₂₄₄F₂₄O₅₄Sn₈, fw = 5013.55, trigonal, R3, a = 28.775(1), c = 23.289(1) Å, V = 16699(1) ų, Z = 3, D_c = 1.496 g/cm³, F(000) = 7620 and μ = 0.978 mm^-1.