Chloro(4-cyanophenyl){(R)-1-[(S)-2-(diphenylphosphino)ferrocenyl]ethyl(di-t-butyl)phosphine} nickel(II)

Catalog Number	ACM2049086340-1
CAS	2049086-34-0
Synonyms	Oro(4-cyanophenyL
Molecular Weight	748.8
Molecular Formula	C39H54ClFeNNiP2
Canonical SMILES	CC(C1CCCC1P(C2=CC=CC=C2)C3=CC=CC=C3)P(C(C)(C)C)C(C)(C)C.C1CCCC1.C1=CC(=CC=[C-]1)C#N.Cl[Ni].[Fe]
InChI	InChI=1S/C27H40P2.C7H4N.C5H10.ClH.Fe.Ni/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h8-13,15-18,21,24-25H,14,19-20H2,1-7H3;2-5H;1-5H2;1H;/q;-1;+1/p-1/t21-,24,25;/m1/s1
InChI Key	JTNPZFMHJBNIDZ-DSWBINGXSA-M
Purity	98%
Appearance	Red violet solid
Complexity	670
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	1
Exact Mass	747.21228
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	C[C@H](C1CCCC1P(C2=CC=CC=C2)C3=CC=CC=C3)P(C(C)(C)C)C(C)(C)C.C1CCCC1.C1=CC(=CC=[C-]1)C#N.Cl[Ni].[Fe]
Monoisotopic Mass	747.21228
Rotatable Bond Count	7
Topological Polar Surface Area	23.8 Ų