Chloro(4-cyanophenyl){(R)-1-[(S)-2-(bis(4-fluorophenyl)phosphinoferrocenyl]ethyl(di-t-butylphosphine)}nickel(II)

Catalog Number	ACM2049086373-1
CAS	2049086-37-3
Synonyms	Benzonitrile;[(1R)-1-[2-bis(4-fluorophenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;chloronickel;cyclopentane;iron
Molecular Weight	784.8
Molecular Formula	C39H52ClF2FeNNiP2
Canonical SMILES	CC(C1CCCC1P(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)P(C(C)(C)C)C(C)(C)C.C1CCCC1.C1=CC(=CC=[C-]1)C#N.Cl[Ni].[Fe]
InChI	InChI=1S/C27H38F2P2.C7H4N.C5H10.ClH.Fe.Ni/c1-19(31(26(2,3)4)27(5,6)7)24-9-8-10-25(24)30(22-15-11-20(28)12-16-22)23-17-13-21(29)14-18-23;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h11-19,24-25H,8-10H2,1-7H3;2-5H;1-5H2;1H;/q;-1;+1/p-1/t19-,24,25;/m1/s1
InChI Key	GRGZZSVQVWLVNU-RSTSUTNBSA-M
Purity	98%
Appearance	Red violet solid
Complexity	729
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	1
Exact Mass	783.193436
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isomeric SMILES	C[C@H](C1CCCC1P(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)P(C(C)(C)C)C(C)(C)C.C1CCCC1.C1=CC(=CC=[C-]1)C#N.Cl[Ni].[Fe]
Monoisotopic Mass	783.193436
Rotatable Bond Count	7
Topological Polar Surface Area	23.8 Ų