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(1+);trifluoromethanesulfonate

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Molecule

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(1+);trifluoromethanesulfonate

Chemical Information

Molecular Image

InChI	InChI=1S/C42H56N10.2C2H3N.2CHF3O3S.2Cu/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;21-2-3;22-1(3,4)8(5,6)7;;/h13-18,21-28,37-38H,19-20H2,1-12H3;21H3;2(H,5,6,7);;/q;;;;;2*+1/p-2
SMILES	FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(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	HSMKDBCPZWEFBC-UHFFFAOYSA-L
Exact Mass	1208.295 g/mol

4 Related Dataset(s) ⌄

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

single crystal X-ray diffraction (single-crystal X-ray diffraction)

X-ray diffraction (XRD)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol1770
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
168008340	pubchem
The data in this table is sourced from UniChem at EBI.