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- W2949742018 abstract "The large discrepancies between the calculated and observed structures for BrF4+ and IF4+ (Christe, K. O.; Zhang, X.; Sheehy, J. A.; Bau, R. J. Am. Chem. Soc. 2001, 123, 6338) prompted a redetermination of the crystal structures of BrF4+Sb2F11- (monoclinic, P21/c, a = 5.2289(6) A, b = 14.510(2) A, c = 14.194(2) A, β = 90.280(1)°, Z = 4) and IF4+SbF6- (orthorhombic, Ibca, a = 8.2702(9) A, b = 8.3115(9) A, c = 20.607(2) A, Z = 8). It is shown that for BrF4+, the large differences were mainly due to large errors in the original experimental data. For IF4+SbF6-, the geometry previously reported for IF4+ was reasonably close to that found in this study despite a very large R-factor of 0.15 and a refinement in an incorrect space group. The general agreement between the calculated and the redetermined geometries of BrF4+ and IF4+ is excellent, except for the preferential compression of one bond angle in each ion due to the influence of interionic fluorine bridges. In BrF4+, the fluorine bridges are equatorial an..." @default.
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- W2949742018 date "2003-02-25" @default.
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- W2949742018 title "Structures of the BrF4+ and IF4+ Cations." @default.
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- W2949742018 doi "https://doi.org/10.1002/chin.200308007" @default.
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