view article
Figure 12
The positions of the atoms with the most positive (blue) and most negative (red) molecular electrostatic potential values for (a) pyrazinone- (in complexes 1–3), (b) pyrimidinone- (in complexes 4–6) and (c) quinazolinone-based units (in complexes 7 and 8, and in the hypothetical model of complex 9) presented for polymer fragments consisting of seven cadmium(II) centres for compounds 2, 5 and 8, respectively. Isodensity surface of 0.002 a.u., colour range −215 (red) to 310 kJ mol−1 (blue).

IUCrJ
Volume 5| Part 1| January 2018| Pages 13-21
ISSN: 2052-2525
https://doi.org/10.1107/S2052252517015494