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note
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Note: The crystal of 4 contains as solvent MeCN, which is gradually released in air at room temperature. Therefore, the elemental analysis and temperature-dependent magnetic susceptibility measurements were carried out for the sample without solvent.
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3 These values are very similar to those obtained from the single-crystal determination of 4, which indicated that the framework structure of 4 does not change after solvents are liberated; hence, 4 without solvent can be considered as being an almost isolated spin system. The program used for XRD pattern simulation can be downloaded free from the Web site http://www.esc.cam.ac.uk/astaff/holland/ UnitCell.html;
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