lambda-tris[(1S,2S)-1,2-diphenyl-1,2-ethanediamine]cobalt(III) chloride tetrakis[3,5-bis(trifluoromethyl)phenyl]borate dihydrate SKJ-1

Catalog Number	ACM1542135294-1
CAS	1542135-29-4
Synonyms	(2-Azanidyl-1,2-diphenylethyl)azanide;cobalt(3+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
IUPAC Name	(2-azanidyl-1,2-diphenylethyl)azanide;cobalt(3+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;
Molecular Weight	1553
Molecular Formula	C74H54BCoF24N6
Canonical SMILES	[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[NH-])[NH-].C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[NH-])[NH-].C1=CC=C(C=C1)C(C(C2=CC=CC=C2)[NH-])[NH-].[Co+3]
InChI	InChI=1S/C32H12BF24.3C14H14N2.Co/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;3*15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h1-12H;3*1-10,13-16H;/q-1;3*-2;+3
InChI Key	USQKEZSRAUOPCI-UHFFFAOYSA-N
Purity	98%
Appearance	Orange powder
Complexity	1680
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	1552.34517
Formal Charge	-4
Heavy Atom Count	106
Hydrogen Bond Acceptor Count	31
Hydrogen Bond Donor Count	6
Monoisotopic Mass	1552.34517
Rotatable Bond Count	10
Topological Polar Surface Area	6 Ų