C12F18H26N8O16Ru2S2

This is a complex, semiconducting ruthenium-containing coordination compound that exists in a metastable state.

CFHNORuS
Crystal structure of C12F18H26N8O16Ru2S2
Ground-state structure · Materials Project
Overview

About C12F18H26N8O16Ru2S2

This complex ruthenium-based compound is characterized by its semiconducting electronic nature. Its intricate molecular architecture incorporates a diverse array of elements, including carbon, fluorine, nitrogen, and sulfur, which contribute to its unique chemical profile.

Due to its position above the thermodynamic hull, the compound is considered potentially unstable under standard conditions. It remains a subject of interest for researchers investigating specialized coordination chemistry and complex molecular systems.

At a glance

Key Properties

Cross-validated computational properties for C12F18H26N8O16Ru2S2, aggregated across 3 databases.

Band Gap

1.97 eV
Range across DFT structures

Energy Above Hull

0.166 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

3
3 databases, 2 space groups
Uses

Applications

Where C12F18H26N8O16Ru2S2 is used.

Coordination chemistry researchFundamental materials science studies
Reference

Frequently Asked Questions

Common questions about C12F18H26N8O16Ru2S2, answered from cross-validated data.

What is C12F18H26N8O16Ru2S2?

This is a complex, semiconducting ruthenium-containing coordination compound that exists in a metastable state.

More questions
What is C12F18H26N8O16Ru2S2 used for?
C12F18H26N8O16Ru2S2 is used in coordination chemistry research and fundamental materials science studies.
What is the band gap of C12F18H26N8O16Ru2S2?
C12F18H26N8O16Ru2S2 has a DFT-computed band gap of 1.97 eV across 3 reported structures.
Is C12F18H26N8O16Ru2S2 a metal, semiconductor, or insulator?
With a band gap up to 1.97 eV it is a semiconductor.
Is C12F18H26N8O16Ru2S2 thermodynamically stable?
C12F18H26N8O16Ru2S2 has a lowest energy above hull of 0.166 eV/atom (above hull).
How many polymorphs of C12F18H26N8O16Ru2S2 are known?
3 structures of C12F18H26N8O16Ru2S2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C12F18H26N8O16Ru2S2 contain?
C12F18H26N8O16Ru2S2 contains C, F, H, N, O, Ru, and S (7 elements).
Where does the data for C12F18H26N8O16Ru2S2 come from?
C12F18H26N8O16Ru2S2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique coordination complex with no direct structural siblings in this specific dataset, this compound represents a specialized niche in materials science, serving as a distinct example of how ruthenium centers can be integrated into highly complex organic-inorganic frameworks.

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

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