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- Although the structures are reported in different settings, 3 and 4 are isomorphous. The packing is very similar in the two, and packing effects are unlikely to account for any of the observed structural differences. The P21/c cell for 4 can be transformed to a P21/n setting (100, 010, 101) with a = 10.082(2) Å, b = 13.676(3) Å, c = 20.288(4) Å, and β = 106.13(2)°, which corresponds to those of 3. After such a unit cell transformation, the coordinates corresponding to those of 3 can be generated by 1/2 − x, 1/2 + y, 1/2 − z.