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Tris(2,2'-bipyridine)iron(II) hexafluorophosphate

Catalog Number ACM70811299-1
CAS 70811-29-9
Structure Tris(2,2'-bipyridine)iron(II) hexafluorophosphate
Synonyms Iron(2+);2-pyridin-2-ylpyridine;dihexafluorophosphate
IUPAC Name iron(2+);2-pyridin-2-ylpyridine;dihexafluorophosphate
Molecular Weight 814.34
Molecular Formula C30H24F12FeN6P2
InChI InChI=1S/3C10H8N2.2F6P.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2
InChI Key FTBIBFKOIGZIGA-UHFFFAOYSA-N
Complexity 183
EC Number 622-132-3
Exact Mass 814.069542 g/mol
Formal Charge 0
Heavy Atom Count 51
Hydrogen Bond Acceptor Count 20
Hydrogen Bond Donor Count 0
Isomeric SMILES C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Fe+2]
Monoisotopic Mass 814.069542 g/mol
Rotatable Bond Count 3
Topological Polar Surface Area 77.3Ų

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