The μ-oxygen-bis[tri(p-fluorobenzyl)tin] was synthesized. The structure were characterized by elementary analysis, IR and 1H NMR and the crystal structure were determined by X-ray single crystal diffraction. The crys...The μ-oxygen-bis[tri(p-fluorobenzyl)tin] was synthesized. The structure were characterized by elementary analysis, IR and 1H NMR and the crystal structure were determined by X-ray single crystal diffraction. The crystal of the title compound belongs to rhombohedral with space group R, a=1.346 4(4), b=1.346 4(4), c=1.772 9(7) nm, α=90°, β=90°, γ=120°, Z=3, V=2.783 2(15) nm3, Dc=1.625 g·cm-3, μ(Mo Kα)=1.408 mm-1, S=1.088, F(000)=1 350, R1=0.027 5, wR2=0.065 9. In compound, the tin atom has a distorted tetrahedral coordination configuration. CCDC: 257079.展开更多
The novel di(o-fluorobenzyl)tin bis(2-quininate) has been synthesized. The crystal structures of the complex was determined by X-ray diffraction. The crystal belongs to triclinic space group P1 with a=0.770 8(2) nm, b...The novel di(o-fluorobenzyl)tin bis(2-quininate) has been synthesized. The crystal structures of the complex was determined by X-ray diffraction. The crystal belongs to triclinic space group P1 with a=0.770 8(2) nm, b=0.951 9(3) nm, c=1.108 4(3) nm, α=78.260(5)°, β=70.179(4)°, γ=68.594(4)°, V=0.709 4(4) nm3, Z=1, Dc=1.595 g·cm-3, μ(Mo Kα)=9.57 cm-1, F(000)=342, R1=0.021 7, wR=0.056 6. The bond length Sn-C is 0.216 9(2) nm,The Sn-O is 0.217 64(15) nm, The Sn-N is 0.233 89(16) nm.This compound is monomeric, with six-coordinated tin atom in a distorted octahedron geometry. The study on title complex has been performed, with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stabilities of the complex, the orbital energies and characteristics of some frontier molecular orbitals have been investigated. CCDC: 286107.展开更多
A novel complex, chlorodi(p-chlorbenzyl)tin dithiotetrahydropyrrolocarbamate, has been synthesized. The crystal structure has been determined by X-ray single crystal diffraction. The crystal of the complex belongs to ...A novel complex, chlorodi(p-chlorbenzyl)tin dithiotetrahydropyrrolocarbamate, has been synthesized. The crystal structure has been determined by X-ray single crystal diffraction. The crystal of the complex belongs to monoclinic with space group C2/c, a=3.070 0(19) nm, b=0.787 9(5) nm, c=2.374 9(15) nm, β=119.63(9) °, Z=8, V=4.993(5) nm3, Dc=1.515 g·cm-3, μ=1.521 mm-1, R1=0.047 4, wR2=0.097 2. The structure of the complex consists of discrete molecule containing five-coordinate tin atom in a seriously distorted trigonal bipyramidal configuration. The molecules are packed in the unit cell in one-dimensional chain polymer through a weak interaction between the chlorine atoms of the adjacent molecules. CCDC: 220743.展开更多
文摘The μ-oxygen-bis[tri(p-fluorobenzyl)tin] was synthesized. The structure were characterized by elementary analysis, IR and 1H NMR and the crystal structure were determined by X-ray single crystal diffraction. The crystal of the title compound belongs to rhombohedral with space group R, a=1.346 4(4), b=1.346 4(4), c=1.772 9(7) nm, α=90°, β=90°, γ=120°, Z=3, V=2.783 2(15) nm3, Dc=1.625 g·cm-3, μ(Mo Kα)=1.408 mm-1, S=1.088, F(000)=1 350, R1=0.027 5, wR2=0.065 9. In compound, the tin atom has a distorted tetrahedral coordination configuration. CCDC: 257079.
文摘The novel di(o-fluorobenzyl)tin bis(2-quininate) has been synthesized. The crystal structures of the complex was determined by X-ray diffraction. The crystal belongs to triclinic space group P1 with a=0.770 8(2) nm, b=0.951 9(3) nm, c=1.108 4(3) nm, α=78.260(5)°, β=70.179(4)°, γ=68.594(4)°, V=0.709 4(4) nm3, Z=1, Dc=1.595 g·cm-3, μ(Mo Kα)=9.57 cm-1, F(000)=342, R1=0.021 7, wR=0.056 6. The bond length Sn-C is 0.216 9(2) nm,The Sn-O is 0.217 64(15) nm, The Sn-N is 0.233 89(16) nm.This compound is monomeric, with six-coordinated tin atom in a distorted octahedron geometry. The study on title complex has been performed, with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stabilities of the complex, the orbital energies and characteristics of some frontier molecular orbitals have been investigated. CCDC: 286107.
文摘A novel complex, chlorodi(p-chlorbenzyl)tin dithiotetrahydropyrrolocarbamate, has been synthesized. The crystal structure has been determined by X-ray single crystal diffraction. The crystal of the complex belongs to monoclinic with space group C2/c, a=3.070 0(19) nm, b=0.787 9(5) nm, c=2.374 9(15) nm, β=119.63(9) °, Z=8, V=4.993(5) nm3, Dc=1.515 g·cm-3, μ=1.521 mm-1, R1=0.047 4, wR2=0.097 2. The structure of the complex consists of discrete molecule containing five-coordinate tin atom in a seriously distorted trigonal bipyramidal configuration. The molecules are packed in the unit cell in one-dimensional chain polymer through a weak interaction between the chlorine atoms of the adjacent molecules. CCDC: 220743.
