Chloro(4-cyanophenyl){(R)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl (dicyclohexylphosphine)}nickel(II)

Catalog Number	ACM2049086351-1
CAS	2049086-35-1
Synonyms	Benzonitrile;chloronickel;cyclopentane;dicyclohexyl-[(1R)-1-(2-dicyclohexylphosphanylcyclopentyl)ethyl]phosphane;iron
Molecular Weight	813
Molecular Formula	C43H70ClFeNNiP2
Canonical SMILES	CC(C1CCCC1P(C2CCCCC2)C3CCCCC3)P(C4CCCCC4)C5CCCCC5.C1CCCC1.C1=CC(=CC=[C-]1)C#N.Cl[Ni].[Fe]
InChI	InChI=1S/C31H56P2.C7H4N.C5H10.ClH.Fe.Ni/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h25-31H,2-24H2,1H3;2-5H;1-5H2;1H;/q;-1;+1/p-1/t25-,30,31;/m1/s1
InChI Key	ZZLLCGYSMDLEBP-BAEAESNCSA-M
Purity	98%
Appearance	Orange solid
Complexity	730
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	1
Exact Mass	811.33748
Heavy Atom Count	49
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	C[C@H](C1CCCC1P(C2CCCCC2)C3CCCCC3)P(C4CCCCC4)C5CCCCC5.C1CCCC1.C1=CC(=CC=[C-]1)C#N.Cl[Ni].[Fe]
Monoisotopic Mass	811.33748
Rotatable Bond Count	7
Topological Polar Surface Area	23.8 Ų