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- W2380533180 abstract "Two tricyclohexyltin heteroaromatic carboxylates [Cy3Sn(ClPyCOO)(H2O)](1),[Cy3Sn(PyCOO)(H2O)](2)(Cy=cyclohexyl) were synthesized by the reactions of 2-chloronicotinic acid(ClPyCOOH) and nicotinic acid(PyCOOH) with tricyclohexyltin hydroxide,respectively.The structures have been characterized by IR,1H NMR spectra and elemental analysis.Theirs crystal structures have been determined by X-ray diffraction.The crystals both belong to monoclinic system,space group C2/c.The crystallographic parameters of complex 1: a=2.018 97(5) nm,b=1.361 16(4) nm,c=1.957 58(5) nm,β=104.815 0(10)°,Z=8,V=5.200 9(2) nm3,Dc=1.386 g·cm-3,μ(Mo Kα)=1.108 mm-1,F(000)=2 240,R1=0.043 7,wR2=0.138 0.The complex 2: a=2.005 44(14) nm,b=1.355 58(10) nm,c=1.9113 8(14) nm,β=107.260(3),Z=8,V=4.962 2(6) nm3,Dc=1.361 g·cm-3,μ(Mo Kα)=1.052 mm-1,F(000)=2 112,R1=0.035 2,wR2=0.112 5.The tin atoms of two complexes are five-coordinated trigonal bipyramid configuration.The 2D network structures of two complexes are formed by the hydrogen bonds.The stabilities,the orbital energies and composition characteristics of some frontier molecular orbitals of the complexes have been investigated with the aid of G98W software.CCDC: 809069,1;832584,2." @default.
- W2380533180 created "2016-06-24" @default.
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- W2380533180 date "2012-01-01" @default.
- W2380533180 modified "2023-09-25" @default.
- W2380533180 title "Synthesis,Crystal Structure and Quantum Chemistry of Two Tricyclohexyltin Pyridinecarboxylate Complexes" @default.
- W2380533180 hasPublicationYear "2012" @default.
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