C4Cl4H24N4O4

C4Cl4H24N4O4 is a metastable, insulating organic-inorganic hybrid compound characterized by its complex molecular structure.

CClHNO
Crystal structure of C4Cl4H24N4O4
Ground-state structure · Materials Project
Overview

About C4Cl4H24N4O4

C4Cl4H24N4O4 is a complex organic-inorganic hybrid material characterized by its wide-band-gap insulating electronic nature. Its structural arrangement reflects a delicate balance of molecular components that define its physical behavior within the solid state. Because it exists above the thermodynamic hull, this compound is considered metastable, making it a subject of interest for researchers studying synthetic pathways and structural formation under specific conditions. Its rarity in existing databases highlights the need for further investigation into its potential utility in specialized chemical or material science applications. The compound remains a niche entry in the landscape of complex molecular solids, where its insulating properties could theoretically be leveraged in applications requiring high electrical resistance or as a precursor in chemical synthesis. As a metastable phase, it provides valuable insight into the energetic landscape of its constituent elements, helping scientists map the boundaries of stable molecular configurations.

At a glance

Key Properties

Cross-validated computational properties for C4Cl4H24N4O4, aggregated across 3 databases.

Band Gap

5.31 eV
Range across DFT structures

Energy Above Hull

0.291 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

3
3 databases, 2 space groups
Uses

Applications

Where C4Cl4H24N4O4 is used.

Chemical synthesis precursorFundamental materials research
Reference

Frequently Asked Questions

Common questions about C4Cl4H24N4O4, answered from cross-validated data.

What is C4Cl4H24N4O4?

C4Cl4H24N4O4 is a metastable, insulating organic-inorganic hybrid compound characterized by its complex molecular structure.

More questions
What is C4Cl4H24N4O4 used for?
C4Cl4H24N4O4 is used in chemical synthesis precursor and fundamental materials research.
What is the band gap of C4Cl4H24N4O4?
C4Cl4H24N4O4 has a DFT-computed band gap of 5.31 eV across 3 reported structures.
Is C4Cl4H24N4O4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.31 eV it is an insulator / wide-band-gap material.
Is C4Cl4H24N4O4 thermodynamically stable?
C4Cl4H24N4O4 has a lowest energy above hull of 0.291 eV/atom (above hull).
How many polymorphs of C4Cl4H24N4O4 are known?
3 structures of C4Cl4H24N4O4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C4Cl4H24N4O4 contain?
C4Cl4H24N4O4 contains C, Cl, H, N, and O (5 elements).
Where does the data for C4Cl4H24N4O4 come from?
C4Cl4H24N4O4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique molecular assembly, C4Cl4H24N4O4 occupies a distinct position within the broader class of complex organic-inorganic hybrids. Unlike more common, thermodynamically stable phases, its status as a metastable compound suggests that its synthesis and persistence are highly sensitive to processing conditions, setting it apart from more robust, naturally occurring crystalline materials.

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

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