Organofluorine / Alfa Chemistry
Tris(trans-1,2-bis(4-(trifluoromethyl)phenyl)ethene)nickel(0)

Tris(trans-1,2-bis(4-(trifluoromethyl)phenyl)ethene)nickel(0)

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Tris(trans-1,2-bis(4-(trifluoromethyl)phenyl)ethene)nickel(0)
Catalog OFC2413906360
CAS 2413906-36-0
Category Fluorinated Metal Complexes
Synonyms Ni(4-CF3stb)3
Purity >97%
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name nickel;1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
InChI InChI=1S/3C16H10F6.Ni/c3*17-15(18,19)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(20,21)22;/h3*1-10H;/b3*2-1+;
InChI Key MPYIHPQSDZTTLO-VRBCMZOBSA-N
Isomeric SMILES C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F.C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F.C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F.[Ni]
Molecular Formula C48H30F18Ni
Molecular Weight 1007.41
Appearance Red solid
Storage Store cold
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 6
Exact Mass 1006.141350 g/mol
Monoisotopic Mass 1006.141350 g/mol
Topological Polar Surface Area 0Ų
Heavy Atom Count 67
Formal Charge 0
Complexity 329

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