Molecule
![Molecular Image]()
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
powder X-ray diffraction (PXD)
single crystal X-ray diffraction (single-crystal X-ray diffraction)
acetonitrile;2-[bis(3-tert-butylpyrazol-1-yl)methyl]-6-[2-[6-[bis(3-tert-butylpyrazol-1-yl)methyl]pyridin-2-yl]ethyl]pyridine;copper;dihexafluorophosphate
Chemical Information
| InChI | InChI=1S/C42H56N10.2C2H3N.2Cu.2F6P/c1-39(2,3)33-21-25-49(45-33)37(50-26-22-34(46-50)40(4,5)6)31-17-13-15-29(43-31)19-20-30-16-14-18-32(44-30)38(51-27-23-35(47-51)41(7,8)9)52-28-24-36(48-52)42(10,11)12;2*1-2-3;;;2*1-7(2,3,4,5)6/h13-18,21-28,37-38H,19-20H2,1-12H3;2*1H3;;;;/q;;;;;2*-1 |
|---|---|
| SMILES | F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.CC(c1ccn(n1)C(n1ccc(n1)C(C)(C)C)c1cccc(n1)CCc1cccc(n1)C(n1ccc(n1)C(C)(C)C)n1ccc(n1)C(C)(C)C)(C)C.CC#N.CC#N.[Cu].[Cu] |
| InChI Key | LJKLVVBUTBZIMR-UHFFFAOYSA-N |
| Exact Mass | 1200.085 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol1831 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 168008339 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |