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- W3149679113 abstract "A novel complex tri(o-bromobenzyl)tin ferrocenecarboxylate has been synthesized and its crystal structure was determined by X-ray diffraction. It belongs to orthorhombic, space group Pbca with a = 1.1340(3), b = 1.7823 (4), c = 3.0119(8) nm, V = 6.088(3) nm3, Mr = 857.81, Z = 8, Dc = 1.872 g/cm3, μ(MoKα) = 52.63 cm-1, F(000) = 3328, R = 0.0683 and wR = 0.1057. The tin atom adopts a distorted tetrahedral coordination geometry. Further studies on the title com- plex have been performed with quantum chemistry calculation at the Lanl2dz basis set level using G98W package. The stability of the complex, some frontier molecular orbital energies and com- position characteristics of some frontier molecular orbitals have been investigated." @default.
- W3149679113 created "2021-04-13" @default.
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- W3149679113 date "2007-01-01" @default.
- W3149679113 modified "2023-09-25" @default.
- W3149679113 title "Synthesis, Crystal Structure and Quantum Chemistry Study of Tri(o-bromobenzyl)tin Ferrocenecarboxylate" @default.
- W3149679113 hasPublicationYear "2007" @default.
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