Inorganic Chemistry
Article
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(19) To describe the ligand, the z-matrix formalism was used,
imposing idealized bond distances (Å) and angles (deg) as follows:
C−C, C−N, and N−N of the pentaatomic ring, 1.36; exocyclic C−C,
refined in the range of 1.45−1.50; C−O, 1.25; N−H, 0.95; aliphatic
C−H, 1.10; pentaatomic ring internal bond angles, 108; pentaatomic
ring external bond angles, 126; O−C−O, 120; H−C−H, 109.5. In the
case of Cd-dmpzc, to describe DMF, the z-matrix formalism was used,
imposing idealized bond distances (Å) and angles (deg) as follows:
C−N, refined in the range of 1.45−1.50; C−O, 1.25; C−H, 1.10; C−
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(21) Upon comparison of the TGA and VT-PXRD results, the reader
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direct contact with the sample, thus determining a slight difference in
the temperature at which the same event is detected by the two
techniques. The TGA temperatures have to be considered more
reliable.
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