Bis(triphenylphosphine)nickel dicarbonyl

Catalog Number	ACM13007904
CAS	13007-90-4
Structure
Synonyms	Carbon monoxide;nickel;triphenylphosphane
Molecular Weight	639.29
Molecular Formula	C38H30NiO2P2
Canonical SMILES	[C-]#[O+].[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.[Ni]
InChI	InChI=1S/2C18H15P.2CO.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;/h2*1-15H;
InChI Key	SLFKPACCQUVAPG-UHFFFAOYSA-N
Melting Point	206-209 °C
Purity	98%
Appearance	Crystal
Complexity	212
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	638.107446
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Monoisotopic Mass	638.107446
Rotatable Bond Count	6
Topological Polar Surface Area	2 Ų