C10Cu2H22N2O12

C10Cu2H22N2O12 is a semiconducting copper-containing coordination compound characterized by its metastable thermodynamic state and complex molecular structure.

CCuHNO
Crystal structure of C10Cu2H22N2O12
Ground-state structure · Materials Project
Overview

About C10Cu2H22N2O12

C10Cu2H22N2O12 is a complex organic-inorganic coordination compound featuring copper centers. As a semiconducting material, it represents an interesting subject for studies into charge transport within metal-organic frameworks and related molecular architectures. Its structural complexity arises from the arrangement of carbon, nitrogen, and oxygen ligands surrounding the metal ions. Because it is positioned above the thermodynamic hull, this compound is considered metastable, which presents unique challenges and opportunities for synthesis and structural characterization. Researchers utilize such materials to explore the boundaries of coordination chemistry and the development of specialized functional materials. The existence of multiple reported structures highlights the flexibility of its molecular assembly under varying experimental conditions.

At a glance

Key Properties

Cross-validated computational properties for C10Cu2H22N2O12, aggregated across 3 databases.

Band Gap

0.83 eV
Range across DFT structures

Energy Above Hull

0.198 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

4
3 databases, 2 space groups
Uses

Applications

Where C10Cu2H22N2O12 is used.

Coordination chemistry researchFundamental materials science studiesExploratory molecular framework synthesis
Reference

Frequently Asked Questions

Common questions about C10Cu2H22N2O12, answered from cross-validated data.

What is C10Cu2H22N2O12?

C10Cu2H22N2O12 is a semiconducting copper-containing coordination compound characterized by its metastable thermodynamic state and complex molecular structure.

More questions
What is C10Cu2H22N2O12 used for?
C10Cu2H22N2O12 is used in coordination chemistry research, fundamental materials science studies, and exploratory molecular framework synthesis.
What is the band gap of C10Cu2H22N2O12?
C10Cu2H22N2O12 has a DFT-computed band gap of 0.83 eV across 4 reported structures.
Is C10Cu2H22N2O12 a metal, semiconductor, or insulator?
With a band gap up to 0.83 eV it is a semiconductor.
Is C10Cu2H22N2O12 thermodynamically stable?
C10Cu2H22N2O12 has a lowest energy above hull of 0.198 eV/atom (above hull).
How many polymorphs of C10Cu2H22N2O12 are known?
4 structures of C10Cu2H22N2O12 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C10Cu2H22N2O12 contain?
C10Cu2H22N2O12 contains C, Cu, H, N, and O (5 elements).
Where does the data for C10Cu2H22N2O12 come from?
C10Cu2H22N2O12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique coordination compound, C10Cu2H22N2O12 serves as a specialized example of copper-based molecular materials. While it lacks direct structural siblings in this context, it functions as a representative case study for investigating the stability and electronic properties of metastable copper complexes in coordination chemistry research.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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