[4-(5-Diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride

Catalog Number	ACM346457418-1
CAS	346457-41-8
Structure
Synonyms	(R)-[(Rucl(segphos))2(mu-cl)3][NH2Me2]
Molecular Weight	1649.7
Molecular Formula	C78H67Cl5NO8P4Ru2
Canonical SMILES	CNC.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl.[Cl-].[ClH+][Ru-]([ClH+])[ClH+].[Ru]
InChI	InChI=1S/2C38H28O4P2.C2H7N.5ClH.2Ru/c2*1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-3-2;/h2*1-24H,25-26H2;3H,1-2H3;5*1H;/q;+2/p-1
InChI Key	GTKMQYLNAZIAEF-UHFFFAOYSA-M
Melting Point	>100 °C
Appearance	Powder
Exact Mass	1652.0328
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	5
Monoisotopic Mass	1648.03466
Rotatable Bond Count	14
Topological Polar Surface Area	85.9 Ų