Numerical Functional Analysis and Optimization.
Taylor and Francis Inc..
Vol. 44.
2023.
P. 490-509
Two-dimensional coordination polymer {[Cu(5-I-ipa)(bpen)]} (1) (5-I-ipa = 5-iodoisophthalate, bpen = 1,2-bis(4-pyridyl)ethylene) is synthesized by the solvothermal method. The structure of 1 is studied by X-ray diffraction. The electrostatic potential on iodine atoms is estimated from quantum chemical calculations. For the structure of 1 the Hirshfeld analysis is carried out.