Bis(1,5-cyclooctadiene)iridium(I)tetrafluoroborate

Catalog Number	ACM35138239-2
CAS	35138-23-9
Structure
Synonyms	(1Z,5Z)-Cycloocta-1,5-diene;iridium;tetrafluoroborate
Molecular Weight	495.4
Molecular Formula	C16H24BF4Ir
Canonical SMILES	[B-](F)(F)(F)F.C1CC=CCCC=C1.C1CC=CCCC=C1.[Ir]
InChI	InChI=1S/2C8H12.BF4.Ir/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;/q;-1;/b2*2-1-,8-7-;
InChI Key	ZFVHFEXIVQSRNV-QMDOQEJBSA-N
Purity	99%
Appearance	Brownish red to dark red crystalline powder
Complexity	91.7
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	496.15364
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isomeric SMILES	[B-](F)(F)(F)F.C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.[Ir]
Monoisotopic Mass	496.15364
Rotatable Bond Count	0
Topological Polar Surface Area	0 Ų