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1 papers
Shit M., Halder S., Dey A. et al. · Inorganic Chemistry · 2023
Reported here: DFT model of compound 1 asymmetric unit
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| DFT model of compound 1 asymmetric unit2023 · Pyridyl-Isonicotinoyl Hydrazone-Bridged Zn(II) Coordination Framework with Thiophenedicarboxylato Link: Structure, Biological Activity, and Electrical Conductivity | model based on single-crystal X-ray coordinates of compound 1Zn(II) · tdc2- and pcih | 0D · Model SystemComputational model uses the optimized asymmetric unit from the single-crystal X-ray diffraction coordinates rather than the full extended experimental framework. | rendered page 3 / article p.19939 · DFT Computational Study · Figure 3 |