Molecule:100659: Difference between revisions

InChI	1S/3C12H12N2.2F6P.Ru/c31-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;21-7(2,3,4,5)6;/h33-8H,1-2H3;;;/q;;;2-1;+2
InChI-Key	YTWDDICTMKIOIQ-UHFFFAOYSA-N
SMILES	[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.C(C)1C=CN2[Ru+2]3(N4=CC=C(C)C=C4C4C=C(C)C=CN=43)3(N4=CC=C(C)C=C4C4C=C(C)C=CN=43)N3=CC=C(C)C=C3C=2C=1

Properties
CID	15198704
CAS	n/a
IUPAC-Name	4-methyl-2-(4-methylpyridin-2-yl)pyridine;ruthenium(2+);dihexafluorophosphate
Abbreviation	[Ru(dmb)3][PF6]2
Trivialname	ru(dmb)3(pf6)2
Exact mass	944.132847
Molecular formula	C36H36F12N6P2Ru
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	ru(dmb)3(pf6)2,c76671,en300-19370044,lambda2-ruthenium(2+) ion tris(4-methyl-2-(4-methylpyridin-2-yl)pyridine) bis(hexafluoro-lambda5-phosphanuide)

Revision as of 17:23, 13 February 2024

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 M  V30 COUNTS 57 63 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 P 14.4 0.425 0.0 0 CHG=-1
+M  V30 1 P 15.0 0.075 0.0 0 CHG=-1
-M  V30 2 F 14.4 -0.575 0.0 0
+M  V30 2 F 15.0 -0.925 0.0 0
-M  V30 3 F 14.4 1.425 0.0 0
+M  V30 3 F 15.0 1.075 0.0 0
-M  V30 4 F 13.534 0.925 0.0 0
+M  V30 4 F 14.134 0.575 0.0 0
-M  V30 5 F 15.266 -0.075 0.0 0
+M  V30 5 F 15.866 -0.425 0.0 0
-M  V30 6 F 15.266 0.925 0.0 0
+M  V30 6 F 15.866 0.575 0.0 0
-M  V30 7 F 13.534 -0.075 0.0 0
+M  V30 7 F 14.134 -0.425 0.0 0
-M  V30 8 P 14.45 -3.325 0.0 0 CHG=-1
+M  V30 8 P 15.925 -3.85 0.0 0 CHG=-1
-M  V30 9 F 14.45 -4.325 0.0 0
+M  V30 9 F 15.925 -4.85 0.0 0
-M  V30 10 F 14.45 -2.325 0.0 0
+M  V30 10 F 15.925 -2.85 0.0 0
-M  V30 11 F 13.584 -2.825 0.0 0
+M  V30 11 F 15.059 -3.35 0.0 0
-M  V30 12 F 15.316 -3.825 0.0 0
+M  V30 12 F 16.791 -4.35 0.0 0
-M  V30 13 F 15.316 -2.825 0.0 0
+M  V30 13 F 16.791 -3.35 0.0 0
-M  V30 14 F 13.584 -3.825 0.0 0
+M  V30 14 F 15.059 -4.35 0.0 0
 M  V30 15 C 3.85985 -1.02507 0.0 0
 M  V30 16 C 5.59015 -1.02459 0.0 0