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	C1C(C)=CC2C3C=C(C)C=CN=3[Ru+2](N=2C=1)1(N2C=CC(C)=CC=2C2N1=CC=C(C)C=2)1N2C=CC(C)=CC=2C2C=C(C)C=CN=21.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F

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 14:34, 10 January 2024

‎

[Ru(dmb)3][PF6]2

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Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

Photocatalytic Reduction of Carbon Dioxide to CO and HCO2H Using fac-Mn(CN)(bpy)(CO)3
Photocatalytic CO2 Reduction under Visible-Light Irradiation by Ruthenium CNC Pincer Complexes
Photocatalytic CO2 reduction using a Mn complex as a catalyst

investigation

Photocatalytic CO2 reduction using a Mn complex as a catalyst/Photocatalytic CO2 reduction: conditions optimization
Photocatalytic Reduction of Carbon Dioxide to CO and HCO2H Using fac-Mn(CN)(bpy)(CO)3/Table 1
Photocatalytic Reduction of Carbon Dioxide to CO and HCO2H Using fac-Mn(CN)(bpy)(CO)3/Table 2
Photocatalytic CO2 Reduction under Visible-Light Irradiation by Ruthenium CNC Pincer Complexes/Conditions optimizations for photocatalytic reduction of CO2

@@ Line 10: / Line 10: @@
 |moleculeKey=YTWDDICTMKIOIQ-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-01102413522D
+   -INDIGO-01242314542D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 16: / Line 16: @@
 M  V30 COUNTS 57 63 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 P 12.2 2.0 0.0 0 CHG=-1
+M  V30 1 C 5.20261 -6.43147 0.0 0
-M  V30 2 F 12.2 1.0 0.0 0
+M  V30 2 N 6.67643 -6.05043 0.0 0
-M  V30 3 F 12.2 3.0 0.0 0
+M  V30 3 C 5.87291 -5.87549 0.0 0
-M  V30 4 F 11.334 2.5 0.0 0
+M  V30 4 C 6.78694 -7.05328 0.0 0
-M  V30 5 F 13.066 1.5 0.0 0
+M  V30 5 C 5.2404 -7.22115 0.0 0
-M  V30 6 F 13.066 2.5 0.0 0
+M  V30 6 C 5.98309 -7.60282 0.0 0
-M  V30 7 F 11.334 1.5 0.0 0
+M  V30 7 C 7.70282 -7.35559 0.0 0
-M  V30 8 P 12.45 -3.25 0.0 0 CHG=-1
+M  V30 8 C 9.29615 -7.18235 0.0 0
-M  V30 9 F 12.45 -4.25 0.0 0
+M  V30 9 N 8.42305 -6.64845 0.0 0
-M  V30 10 F 12.45 -2.25 0.0 0
+M  V30 10 C 9.28111 -8.12018 0.0 0
-M  V30 11 F 11.584 -2.75 0.0 0
+M  V30 11 C 7.87536 -8.21489 0.0 0
-M  V30 12 F 13.316 -3.75 0.0 0
+M  V30 12 C 8.613 -8.53826 0.0 0
-M  V30 13 F 13.316 -2.75 0.0 0
+M  V30 13 C 4.76852 -3.07893 0.0 0
-M  V30 14 F 11.584 -3.75 0.0 0
+M  V30 14 C 6.1552 -3.09208 0.0 0
-M  V30 15 C 4.95072 2.66552 0.0 0
+M  V30 15 C 5.39301 -2.69652 0.0 0
-M  V30 16 C 6.44945 1.80079 0.0 0
+M  V30 16 N 6.28833 -4.0841 0.0 0
-M  V30 17 C 5.95143 2.66524 0.0 0
+M  V30 17 C 4.75062 -3.81653 0.0 0
-M  V30 18 N 5.94898 0.933951 0.0 0
+M  V30 18 C 5.45111 -4.35625 0.0 0
-M  V30 19 C 4.44825 1.79522 0.0 0
+M  V30 19 C 6.71792 -1.76266 0.0 0
-M  V30 20 C 4.95329 0.932036 0.0 0
+M  V30 20 C 8.0038 -1.71502 0.0 0
-M  V30 21 C 7.44945 1.80079 0.0 0
+M  V30 21 C 7.3596 -1.36579 0.0 0
-M  V30 22 C 8.94711 2.66737 0.0 0
+M  V30 22 C 8.15558 -2.55951 0.0 0
-M  V30 23 C 7.94947 2.66763 0.0 0
+M  V30 23 C 6.73727 -2.66822 0.0 0
-M  V30 24 C 9.44816 1.80086 0.0 0
+M  V30 24 N 7.6175 -3.17585 0.0 0
-M  V30 25 N 7.9525 0.930822 0.0 0
+M  V30 25 C 9.76957 -2.59584 0.0 0
-M  V30 26 C 8.95256 0.937284 0.0 0
+M  V30 26 C 10.7134 -3.56387 0.0 0
-M  V30 27 C 9.45647 0.0735318 0.0 0
+M  V30 27 C 10.5253 -2.81397 0.0 0
-M  V30 28 C 10.9597 -0.783396 0.0 0
+M  V30 28 C 10.1225 -4.18653 0.0 0
-M  V30 29 C 10.4572 0.0784459 0.0 0
+M  V30 29 C 9.05039 -3.1317 0.0 0
-M  V30 30 C 10.4637 -1.65283 0.0 0
+M  V30 30 N 9.09496 -3.95102 0.0 0
-M  V30 31 N 8.95853 -0.799377 0.0 0
+M  V30 31 N 9.69528 -5.52784 0.0 0
-M  V30 32 C 9.46806 -1.65992 0.0 0
+M  V30 32 C 11.2573 -4.97572 0.0 0
-M  V30 33 C 8.97592 -2.53044 0.0 0
+M  V30 33 C 10.3329 -4.86448 0.0 0
-M  V30 34 C 8.99324 -4.26065 0.0 0
+M  V30 34 C 11.6274 -5.64152 0.0 0
-M  V30 35 C 9.48444 -3.39232 0.0 0
+M  V30 35 C 10.2678 -6.38423 0.0 0
-M  V30 36 C 7.99234 -4.27039 0.0 0
+M  V30 36 C 11.234 -6.32539 0.0 0
-M  V30 37 N 7.97102 -2.54021 0.0 0
+M  V30 37 C 8.7212 -9.61664 0.0 0
-M  V30 38 C 7.48449 -3.41396 0.0 0
+M  V30 38 C 4.31846 -7.83596 0.0 0
-M  V30 39 C 6.48458 -3.42754 0.0 0
+M  V30 39 C 12.7138 -5.68937 0.0 0
-M  V30 40 C 4.99883 -4.31438 0.0 0
+M  V30 40 C 11.3393 -2.06309 0.0 0
-M  V30 41 C 5.99638 -4.30109 0.0 0
+M  V30 41 C 7.30929 -0.254007 0.0 0
-M  V30 42 C 4.48605 -3.45476 0.0 0
+M  V30 42 C 3.81216 -2.51491 0.0 0
-M  V30 43 N 5.96975 -2.56449 0.0 0
+M  V30 43 Ru 7.93674 -4.94393 0.0 0 CHG=2
-M  V30 44 C 4.96988 -2.58453 0.0 0
+M  V30 44 P 13.175 -0.375 0.0 0 CHG=-1
-M  V30 45 C 4.45427 -1.7277 0.0 0
+M  V30 45 F 13.175 -1.375 0.0 0
-M  V30 46 C 2.93957 -0.891276 0.0 0
+M  V30 46 F 13.175 0.625 0.0 0
-M  V30 47 C 3.45373 -1.74621 0.0 0
+M  V30 47 F 12.309 0.125 0.0 0
-M  V30 48 C 3.42367 -0.0151872 0.0 0
+M  V30 48 F 14.041 -0.875 0.0 0
-M  V30 49 N 4.94031 -0.848112 0.0 0
+M  V30 49 F 14.041 0.125 0.0 0
-M  V30 50 C 4.41914 0.00542938 0.0 0
+M  V30 50 F 12.309 -0.875 0.0 0
-M  V30 51 C 4.45084 3.53162 0.0 0
+M  V30 51 P 13.8 -2.85 0.0 0 CHG=-1
-M  V30 52 C 9.44693 3.5335 0.0 0
+M  V30 52 F 13.8 -3.85 0.0 0
-M  V30 53 C 11.9597 -0.778663 0.0 0
+M  V30 53 F 13.8 -1.85 0.0 0
-M  V30 54 C 9.50124 -5.12201 0.0 0
+M  V30 54 F 12.934 -2.35 0.0 0
-M  V30 55 C 4.51082 -5.18722 0.0 0
+M  V30 55 F 14.666 -3.35 0.0 0
-M  V30 56 C 1.93974 -0.909593 0.0 0
+M  V30 56 F 14.666 -2.35 0.0 0
-M  V30 57 Ru 6.87398 -0.807074 0.0 0 CHG=2
+M  V30 57 F 12.934 -3.35 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 1 1 2
+M  V30 1 2 3 1
-M  V30 2 1 1 3
+M  V30 2 2 4 2
-M  V30 3 1 1 4
+M  V30 3 1 1 5
-M  V30 4 1 1 5
+M  V30 4 1 2 3
-M  V30 5 1 1 6
+M  V30 5 2 5 6
-M  V30 6 1 1 7
+M  V30 6 1 6 4
-M  V30 7 1 8 9
+M  V30 7 2 9 7
-M  V30 8 1 8 10
+M  V30 8 2 10 8
-M  V30 9 1 8 11
+M  V30 9 1 7 11
-M  V30 10 1 8 12
+M  V30 10 1 8 9
-M  V30 11 1 8 13
+M  V30 11 2 11 12
-M  V30 12 1 8 14
+M  V30 12 1 12 10
-M  V30 13 2 17 15
+M  V30 13 2 15 13
-M  V30 14 2 18 16
+M  V30 14 2 16 14
-M  V30 15 1 15 19
+M  V30 15 1 13 17
-M  V30 16 1 16 17
+M  V30 16 1 14 15
-M  V30 17 2 19 20
+M  V30 17 2 17 18
-M  V30 18 1 20 18
+M  V30 18 1 18 16
-M  V30 19 1 16 21
+M  V30 19 2 21 19
-M  V30 20 2 23 21
+M  V30 20 2 22 20
-M  V30 21 2 24 22
+M  V30 21 1 19 23
-M  V30 22 1 21 25
+M  V30 22 1 20 21
-M  V30 23 1 22 23
+M  V30 23 2 23 24
-M  V30 24 2 25 26
+M  V30 24 1 24 22
-M  V30 25 1 26 24
+M  V30 25 2 27 25
-M  V30 26 2 29 27
+M  V30 26 2 28 26
-M  V30 27 2 30 28
+M  V30 27 1 25 29
-M  V30 28 1 27 31
+M  V30 28 1 26 27
-M  V30 29 1 28 29
+M  V30 29 2 29 30
-M  V30 30 2 31 32
+M  V30 30 1 30 28
-M  V30 31 1 32 30
+M  V30 31 2 33 31
-M  V30 32 1 32 33
+M  V30 32 2 34 32
-M  V30 33 2 35 33
+M  V30 33 1 31 35
-M  V30 34 2 36 34
+M  V30 34 1 32 33
-M  V30 35 1 33 37
+M  V30 35 2 35 36
-M  V30 36 1 34 35
+M  V30 36 1 36 34
-M  V30 37 2 37 38
+M  V30 37 1 14 23
-M  V30 38 1 38 36
+M  V30 38 1 28 33
-M  V30 39 2 41 39
+M  V30 39 1 7 4
-M  V30 40 2 42 40
+M  V30 40 1 12 37
-M  V30 41 1 39 43
+M  V30 41 1 5 38
-M  V30 42 1 40 41
+M  V30 42 1 34 39
-M  V30 43 2 43 44
+M  V30 43 1 27 40
-M  V30 44 1 44 42
+M  V30 44 1 21 41
-M  V30 45 1 44 45
+M  V30 45 1 13 42
-M  V30 46 2 47 45
+M  V30 46 10 16 43
-M  V30 47 2 48 46
+M  V30 47 10 24 43
-M  V30 48 1 45 49
+M  V30 48 10 30 43
-M  V30 49 1 46 47
+M  V30 49 10 31 43
-M  V30 50 2 49 50
+M  V30 50 10 9 43
-M  V30 51 1 50 48
+M  V30 51 10 2 43
-M  V30 52 1 15 51
+M  V30 52 1 44 45
-M  V30 53 1 22 52
+M  V30 53 1 44 46
-M  V30 54 1 28 53
+M  V30 54 1 44 47
-M  V30 55 1 34 54
+M  V30 55 1 44 48
-M  V30 56 1 40 55
+M  V30 56 1 44 49
-M  V30 57 1 46 56
+M  V30 57 1 44 50
-M  V30 58 10 18 57
+M  V30 58 1 51 52
-M  V30 59 10 57 25
+M  V30 59 1 51 53
-M  V30 60 10 31 57
+M  V30 60 1 51 54
-M  V30 61 10 57 37
+M  V30 61 1 51 55
-M  V30 62 10 43 57
+M  V30 62 1 51 56
-M  V30 63 10 57 49
+M  V30 63 1 51 57
 M  V30 END BOND
 M  V30 END CTAB
 M  END
+|smiles=C1C(C)=CC2C3C=C(C)C=CN=3[Ru+2](N=2C=1)1(N2C=CC(C)=CC=2C2N1=CC=C(C)C=2)1N2C=CC(C)=CC=2C2C=C(C)C=CN=21.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F
-|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
 |inchi=1S/3C12H12N2.2F6P.Ru/c3*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-7(2,3,4,5)6;/h3*3-8H,1-2H3;;;/q;;;2*-1;+2
 |inchikey=YTWDDICTMKIOIQ-UHFFFAOYSA-N

Molecule:100659: Difference between revisions

Revision as of 14:34, 10 January 2024

Molecule is used on following pages

Current site

Topics