Bis(trifluoroacetato)carbonylbis(triphenylphosphine)ruthenium(II) methanol adduct

Catalog Number	ACM38596611-1
CAS	38596-61-1
Structure
Synonyms	Carbon monoxide;methanol;ruthenium;2,2,2-trifluoroacetic acid;triphenylphosphane
Molecular Weight	913.7
Molecular Formula	C42H36F6O6P2Ru
Canonical SMILES	CO.[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.[Ru]
InChI	InChI=1S/2C18H15P.2C2HF3O2.CH4O.CO.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*3-2(4,5)1(6)7;2*1-2;/h2*1-15H;2*(H,6,7);2H,1H3;
InChI Key	UKQAOHZHDWPBQZ-UHFFFAOYSA-N
Melting Point	236-237 °C
Purity	98%
Appearance	Crystal
Exact Mass	914.093472
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	3
Monoisotopic Mass	914.093472
Rotatable Bond Count	6
Topological Polar Surface Area	95.8 Ų