Published February 2, 2026
| Version v1
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FeP3
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Additional details
Domain Specific Metadata
| Property | Value |
|---|---|
| Number of elements | 6 |
| Simpnmr Software Name | ORCA |
| Simpnmr Software Version | 6.0.0 |
| Simpnmr Charge | 1 |
| Simpnmr Multiplicity | 5 |
| Simpnmr DFT Functional | B3LYP |
| Simpnmr Basis Set | def2-TZVP |
| Simpnmr Nuclear Repulsion Energy | 5880.029361696093 |
| SMILES | Cl- Fe+2 (P(c1ccccc1)(c2ccccc2)c3ccccc3)(P(c4ccccc4)(c5ccccc5)c6ccccc6)(P(c7ccccc7)(c8ccccc8)c9ccccc9))Si (c1ccccc1)(c2ccccc2)c3ccccc3 |
| InChI | InChI=1S/C27H53ClFeP3Si/c1-27(2,3,4)39(28,29,30)31;Fe;Cl/q+1 |
| Elements |
Fe
Si C P H Cl |
| Elements ratios |
1.0
1.0 27.0 3.0 53.0 1.0 |
| Descriptive chemical formula | FeSiC27P3H53Cl |