Dichloro[(R)-(-)-4,12-bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane][(1S,2S)-(-)-1,2-diphenylethylenediamine]ruthenium(II)

Catalog Number	ACM325150570-1
CAS	325150-57-0
Structure
Synonyms	[11-Bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;(1S,2S)-1,2-diphenylethane-1,2-diamine
Molecular Weight	1073.1
Molecular Formula	C62H66Cl2N2P2Ru
Canonical SMILES	CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=C4CCC5=CC(=C(CCC(=C3)C=C4)C=C5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N.Cl[Ru]Cl
InChI	InChI=1S/C48H50P2.C14H16N2.2ClH.Ru/c1-31-17-32(2)22-43(21-31)49(44-23-33(3)18-34(4)24-44)47-29-39-9-13-41(47)15-11-40-10-14-42(16-12-39)48(30-40)50(45-25-35(5)19-36(6)26-45)46-27-37(7)20-38(8)28-46;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3;1-10,13-14H,15-16H2;2*1H;/q;+2/p-2/t;13-,14-;/m0/s1
InChI Key	RNYWYINSJUUIIP-LISIALKWSA-L
Purity	95%
Appearance	Powder
Exact Mass	1072.31217
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=C4CCC5=CC(=C(CCC(=C3)C=C4)C=C5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C.C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)N)N.Cl[Ru]Cl
Monoisotopic Mass	1072.31217
Rotatable Bond Count	9
Topological Polar Surface Area	52 Ų