Chloro(dichloronio)ruthenium(1-);chlororuthenium(1+);(2Z,6E)-2,7-dimethanidylocta-2,6-diene

Catalog Number	ACM34801973-1
CAS	34801-97-3
Structure
Synonyms	Dichlorodi-mu-chlorobis[(1,2,3,6,7,8-eta-2,7-dimethyl-2,6-octadiene-1,8-diyl]diruthenium(IV)
Molecular Weight	618.4
Molecular Formula	C20H34Cl4Ru2
Canonical SMILES	CC(=CCCC=C(C)[CH2-])[CH2-].CC(=CCCC=C(C)[CH2-])[CH2-].[ClH+][Ru-]([ClH+])Cl.Cl[Ru+]
InChI	InChI=1S/2C10H16.4ClH.2Ru/c2*1-9(2)7-5-6-8-10(3)4;/h2*7-8H,1,3,5-6H2,2,4H3;4*1H;/q2*-2;2*+2/p-2/b2*9-7-,10-8+;
InChI Key	FXCVKILDWMHTRK-MXLNCRQYSA-L
Melting Point	196 °C
Purity	97%
Appearance	Powder
Exact Mass	621.94828
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isomeric SMILES	C/C(=C\CC/C=C(\[CH2-])/C)/[CH2-].C/C(=C\CC/C=C(\[CH2-])/C)/[CH2-].[ClH+][Ru-](Cl)[ClH+].Cl[Ru+]
Monoisotopic Mass	617.950142
Rotatable Bond Count	0
Topological Polar Surface Area	0 Ų