Bis(cyclooctene)iridium(I) chloride, dimer

Catalog Number	ACM12246514-1
CAS	12246-51-4
Structure
Synonyms	Cyclooctene;iridium;dichloride
Molecular Weight	896.1
Molecular Formula	C32H56Cl2Ir2
Canonical SMILES	C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.[Cl-].[Cl-].[Ir].[Ir]
InChI	InChI=1S/4C8H14.2ClH.2Ir/c4*1-2-4-6-8-7-5-3-1;/h4*1-2H,3-8H2;2*1H;/p-2/b4*2-1-;
InChI Key	CJJIQMGSHWWMCK-XFCUKONHSA-L
Melting Point	160-165 °C
Purity	97%
Appearance	Crystal
Exact Mass	894.29942
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	C1CC/C=C\CCC1.C1CC/C=C\CCC1.C1CC/C=C\CCC1.C1CC/C=C\CCC1.[Cl-].[Cl-].[Ir].[Ir]
Monoisotopic Mass	896.30175
Rotatable Bond Count	0
Topological Polar Surface Area	0 Ų