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SMART and SAINTPLUS, Area Detector Control and Integration Software, Version 6.01; Bruker Analytical X-Ray Systems: Madison, Wisconsin, 1999.
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84868390768
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2 molecule that is contradictory to the X-ray data.
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2-).
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37649017236
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If both minor and major subchains start from and finish by HgI2 molecules, an empty space of a total equal to one-half of that of [Hg3I8]2- unit fits per each minor subchain (see Figure 7, If a number of minor subchains with one terminal HgI2 molecule is n, a number of minor subchains with two terminal HgI2 is 1/3n and a total number of minor subchains should be 4/3n. There are n vacant of [Hg3I8]2- per n subchains with one terminal HgI2 molecule and l/6n vacant of [Hg 3I8]2- per l/3n subchains with two terminal HgI2 molecules in crystal 1. A total number of vacant [Hg 3I8]2- in crystal 1 derived from the X-ray analysis is 0.027 see Table 2, 0.027, n, l/6n; n, 0.023
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2 molecules, is 4/3(0.023) = 0.031. The averaged length of "major" and "minor" subchains in 1 is 6.3/3.1 = 2.0(2) for "minor" and 91/3.1 = 30(4) for "major" ones, that is, 7/8 from the value calculated in the former model.
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