Di-mu-methoxobis(1,5-cyclooctadiene)diiridium(I)

Catalog Number	ACM12148719-1
CAS	12148-71-9
Structure
Synonyms	Bis(1,5-cyclooctadiene)dimethoxydiiridium
Molecular Weight	666.9
Molecular Formula	C18H34Ir2O2
Canonical SMILES	C[OH2+].C[OH2+].C1CC=CCCC=C1.C1CC=CCCC=C1.[Ir].[Ir]
InChI	InChI=1S/2C8H12.2CH4O.2Ir/c2*1-2-4-6-8-7-5-3-1;2*1-2;/h2*1-2,7-8H,3-6H2;2*2H,1H3;/p+2/b2*2-1-,8-7-;
InChI Key	MNKCGUKVRJZKEQ-MIXQCLKLSA-P
Melting Point	154-179 °C
Purity	99%
Appearance	Yellow green powder
Complexity	82.1
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Exact Mass	666.1794
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	2
Isomeric SMILES	C[OH2+].C[OH2+].C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Ir].[Ir]
Monoisotopic Mass	668.18173
Rotatable Bond Count	0
Topological Polar Surface Area	2 Ų