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The tri(o-chlorobenzyl)tin chloride as well as the tri(o-fluorobenzyl)tin was treated with aqueous solutio n of NaOH to formed theμ-oxygen-bis[tri(o-chlorobenzyl)tin]andμ-oxygen-bis[tri(o-fluorobenzyl)tin],respectively.The crystal and molecular structure s of compound were determined by X-ra y diffraction.The crystal(1)belongs to triclinic space groupP1with a=1.0195(5),b=1.0951(6),c=1.0986(6)nm,α=118.250(7),β=104.923(7),γ=99.534(8)°,V=0.9827(9)nm 3 ,Z =1,D x =1.701g·cm -3 ,μ(Mo Kα)=17.12cm -1 ,F(000)=498,R 1 =0.0680,w R 2 =0.13014.The crystal(2)are triclinic,space groupP1with a=0.9635(3),b=1.0797(4),c=1.0852(3)nm,α=105.807(5),β=90.551(6),γ=116.382(5)°,V=0.9619(6)nm 3 ,Z =2,D x =1.595g·cm -3 ,μ(Mo Kα)=13.62cm -1 ,F(000)=458,R 1 =0.0268,w R 2 =0.0674.The bond lengths of Sn-C is 0.2128(9)～2.162(12)nm and 0.2155(4)～0.2162(3)nm,and the Sn-O is 0.1901nm and0.19166(6)nm,respectively.The bond angle Sn-O-Sn is 180.0(0)°.The tin atom has a distorted tetrah edral geometry.The composition characte ristics of some frontier molecular o rbitals have been investigated by me ans of G98W package and taking Lanl2dz basis set.(1)CCDC:184751,(2)CCDC:187572.
The tri (o-chlorobenzyl) tin chloride as well as the tri (o-fluorobenzyl) tin was treated with aqueous solutio n of NaOH to formed the micro-oxygen-bis [tri (o-chlorobenzyl) tin] tri (o-fluorobenzyl) tin], respectively. The crystal and molecular structure of the compounds were determined by X-ra y diffraction. The crystal (1) belongs to triclinic space group P1 with a = 1.0195 (5), b = 1.0951 ), c = 1.0986 (6) nm, α = 118.250 (7), β = 104.923 (7), γ = 99.534 (8) °, V = 0.9827 (9) nm 3, Z = 1, D x = 1.701 g · Cm -3, μ (Mo Kα) = 17.12 cm -1, F (000) = 498, R 1 = 0.0680, w R 2 = 0.13014 The crystal (2) are triclinic, space group P 1 with a = , b = 1.0797 (4), c = 1.0852 (3) nm, α = 105.807 (5), β = 90.551 (6), γ = 116.382 (5) °, V = 0.9619 (6) nm 3, Z = 2 , D x = 1.595 g · cm -3, μ (Mo Kα) = 13.62 cm -1, F (000) = 458, R 1 = 0.0268, w R 2 = 0.0674. The bond lengths of Sn-C is 0.2128 9) ~ 2.162 (12) nm and 0.2155 (4) ~ 0.2162 (3) nm, and the Sn-O is 0.1901 nm and 0.19166 (6) nm, -Sn is 180.0 (0) °. The tin atom has a distorted tetrah edral geometry. The composition characte ristics of some frontier molecular o rbitals have been investigated by me ans G98W package and taking Lanl2 dz basis set. (1) CCDC: 184751 , (2) CCDC: 187572.