Dimethylammonium dichlorotri(mu-chloro)bis{(R)-(+)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole}diruthenate(II)

Catalog Number	ACM935449460-1
CAS	935449-46-0
Synonyms	[4-[5-Bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride
Molecular Weight	1874.1
Molecular Formula	C94H99Cl5NO8P4Ru2
Canonical SMILES	CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CNC.Cl.[Cl-].[ClH+][Ru-]([ClH+])[ClH+].[Ru]
InChI	InChI=1S/2C46H44O4P2.C2H7N.5ClH.2Ru/c2*1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;1-3-2;/h2*9-24H,25-26H2,1-8H3;3H,1-2H3;5*1H;/q;+2/p-1
InChI Key	CABGTUSYWYURQC-UHFFFAOYSA-M
Melting Point	>100 °C
Appearance	Powder
Exact Mass	1877.28655
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	5
Monoisotopic Mass	1872.285061
Rotatable Bond Count	14
Topological Polar Surface Area	85.9 Ų