Crystal and molecular structure of [Ni{2-H2NC(=O)C5H4N}2(H2O)2][Ni{2,6-(O2C)2C5H3N}2]·4.67H2O; DFT studies on hydrogen bonding energies in the crystal

Chahkandi, M.; Keivanloo Shahrestanaki, A.; Mirzaei, M.; Nawaz Tahir, M.; Mague, J.T.

doi:10.1107/S2052520620006472

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 5
Optimized B3LYP/LANL2DZ/6-311+G(d,p) structures of 1-mon and 1W-mon. The dotted lines with distances in Å show intermolecular hydrogen bonds.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 76| Part 4| August 2020| Pages 591-603

https://doi.org/10.1107/S2052520620006472

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