(1Z,5Z)-Cycloocta-1,5-diene;[3-(4-diphenylphosphanyl-2,6-dimethoxypyridin-3-yl)-2,6-dimethoxypyridin-4-yl]-diphenylphosphane;rhodium;tetrafluoroborate

Catalog Number	ACM573718566-1
CAS	573718-56-6
Structure
Synonyms	(R)-(+)-2,2',6,6'-Tetramethoxy-4,4'-bis(diphenylphosphino)-3,3'-bipyridine(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
Molecular Weight	942.5
Molecular Formula	C46H46BF4N2O4P2Rh
Canonical SMILES	[B-](F)(F)(F)F.COC1=NC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(C=C4P(C5=CC=CC=C5)C6=CC=CC=C6)OC)OC)OC.C1CC=CCCC=C1.[Rh]
InChI	InChI=1S/C38H34N2O4P2.C8H12.BF4.Rh/c1-41-33-25-31(45(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35(37(39-33)43-3)36-32(26-34(42-2)40-38(36)44-4)46(29-21-13-7-14-22-29)30-23-15-8-16-24-30;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-26H,1-4H3;1-2,7-8H,3-6H2;/q;-1;/b;2-1-,8-7-;
InChI Key	JGBGWKDXLJSPBK-ONEVTFJLSA-N
Purity	97%
Appearance	Crystal
Exact Mass	942.20169
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	0
Isomeric SMILES	[B-](F)(F)(F)F.COC1=NC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(C=C4P(C5=CC=CC=C5)C6=CC=CC=C6)OC)OC)OC.C1/C=C\CC/C=C\C1.[Rh]
Monoisotopic Mass	942.20169
Rotatable Bond Count	11
Topological Polar Surface Area	62.7 Ų