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1 papers
Ahmed F., Ortega-Castro J., Frontera A. et al. · Dalton Transactions · 2021
Reported here: Compound 3, [{Cu2(muco)2(py)4}.4H2O.2EtOH]n
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| Paper and reported name | Formula and components | Structure context | Source |
|---|---|---|---|
| Compound 3, [{Cu2(muco)2(py)4}.4H2O.2EtOH]n2021 · Semiconducting properties of pyridyl appended linear dicarboxylate based coordination polymers: Theoretical prediction: Via DFT study | [{Cu2(muco)2(py)4}.4H2O.2EtOH]nCu(II) centres with 3d-orbital participation in valence and conduction bands. · muco = trans,trans-muconate; py = pyridine; water and ethanol guests/ligands noted as wat-et in PDOS. | 2D · Model SystemPrimitive triclinic P-1 crystal structure; 2D sheet-like coordination polymer used as a DFT model system. | main p.2, article p.271 · Introduction; Computational details · Fig. 1 |