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 13:12, 26 February 2024

‎

[Ru(dmb)3][PF6]2

Click here to copy MOL-file.

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-01102416002D
+   -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 C 20.2257 -2.15948 0.0 0
+M  V30 1 C 5.20261 -6.43147 0.0 0
-M  V30 2 C 21.7244 -3.02421 0.0 0
+M  V30 2 N 6.67643 -6.05043 0.0 0
-M  V30 3 C 21.2264 -2.15976 0.0 0
+M  V30 3 C 5.87291 -5.87549 0.0 0
-M  V30 4 N 21.224 -3.89105 0.0 0
+M  V30 4 C 6.78694 -7.05328 0.0 0
-M  V30 5 C 19.7232 -3.02978 0.0 0
+M  V30 5 C 5.2404 -7.22115 0.0 0
-M  V30 6 C 20.2283 -3.89296 0.0 0
+M  V30 6 C 5.98309 -7.60282 0.0 0
-M  V30 7 C 22.7244 -3.02467 0.0 0
+M  V30 7 C 7.70282 -7.35559 0.0 0
-M  V30 8 C 24.2225 -2.15879 0.0 0
+M  V30 8 C 9.29615 -7.18235 0.0 0
-M  V30 9 C 23.2249 -2.15807 0.0 0
+M  V30 9 N 8.42305 -6.64845 0.0 0
-M  V30 10 C 24.7232 -3.02553 0.0 0
+M  V30 10 C 9.28111 -8.12018 0.0 0
-M  V30 11 N 23.2271 -3.89488 0.0 0
+M  V30 11 C 7.87536 -8.21489 0.0 0
-M  V30 12 C 24.2272 -3.88888 0.0 0
+M  V30 12 C 8.613 -8.53826 0.0 0
-M  V30 13 C 24.7307 -4.75287 0.0 0
+M  V30 13 C 4.76852 -3.07893 0.0 0
-M  V30 14 C 26.2335 -5.6105 0.0 0
+M  V30 14 C 6.1552 -3.09208 0.0 0
-M  V30 15 C 25.7314 -4.74842 0.0 0
+M  V30 15 C 5.39301 -2.69652 0.0 0
-M  V30 16 C 25.7371 -6.4797 0.0 0
+M  V30 16 N 6.28833 -4.0841 0.0 0
-M  V30 17 N 24.2323 -5.62555 0.0 0
+M  V30 17 C 4.75062 -3.81653 0.0 0
-M  V30 18 C 24.7414 -6.48632 0.0 0
+M  V30 18 C 5.45111 -4.35625 0.0 0
-M  V30 19 C 24.2489 -7.35661 0.0 0
+M  V30 19 C 6.71792 -1.76266 0.0 0
-M  V30 20 C 24.2654 -9.08684 0.0 0
+M  V30 20 C 8.0038 -1.71502 0.0 0
-M  V30 21 C 24.757 -8.21873 0.0 0
+M  V30 21 C 7.3596 -1.36579 0.0 0
-M  V30 22 C 23.2645 -9.09611 0.0 0
+M  V30 22 C 8.15558 -2.55951 0.0 0
-M  V30 23 N 23.244 -7.36592 0.0 0
+M  V30 23 C 6.73727 -2.66822 0.0 0
-M  V30 24 C 22.7571 -8.23944 0.0 0
+M  V30 24 N 7.6175 -3.17585 0.0 0
-M  V30 25 C 21.7571 -8.25256 0.0 0
+M  V30 25 C 9.76957 -2.59584 0.0 0
-M  V30 26 C 20.271 -9.13871 0.0 0
+M  V30 26 C 10.7134 -3.56387 0.0 0
-M  V30 27 C 21.2685 -9.12588 0.0 0
+M  V30 27 C 10.5253 -2.81397 0.0 0
-M  V30 28 C 19.7586 -8.27885 0.0 0
+M  V30 28 C 10.1225 -4.18653 0.0 0
-M  V30 29 N 21.2427 -7.38926 0.0 0
+M  V30 29 C 9.05039 -3.1317 0.0 0
-M  V30 30 C 20.2428 -7.40884 0.0 0
+M  V30 30 N 9.09496 -3.95102 0.0 0
-M  V30 31 C 19.7276 -6.55178 0.0 0
+M  V30 31 N 9.69528 -5.52784 0.0 0
-M  V30 32 C 18.2133 -5.71464 0.0 0
+M  V30 32 C 11.2573 -4.97572 0.0 0
-M  V30 33 C 18.7271 -6.56982 0.0 0
+M  V30 33 C 10.3329 -4.86448 0.0 0
-M  V30 34 C 18.6978 -4.83878 0.0 0
+M  V30 34 C 11.6274 -5.64152 0.0 0
-M  V30 35 N 20.2141 -5.67241 0.0 0
+M  V30 35 C 10.2678 -6.38423 0.0 0
-M  V30 36 C 19.6933 -4.81862 0.0 0
+M  V30 36 C 11.234 -6.32539 0.0 0
-M  V30 37 C 19.7258 -1.29338 0.0 0
+M  V30 37 C 8.7212 -9.61664 0.0 0
-M  V30 38 C 24.7227 -1.2929 0.0 0
+M  V30 38 C 4.31846 -7.83596 0.0 0
-M  V30 39 C 27.2335 -5.60623 0.0 0
+M  V30 39 C 12.7138 -5.68937 0.0 0
-M  V30 40 C 24.773 -9.94843 0.0 0
+M  V30 40 C 11.3393 -2.06309 0.0 0
-M  V30 41 C 19.7826 -10.0113 0.0 0
+M  V30 41 C 7.30929 -0.254007 0.0 0
-M  V30 42 C 17.2135 -5.73249 0.0 0
+M  V30 42 C 3.81216 -2.51491 0.0 0
-M  V30 43 Ru 22.1828 -5.65697 0.0 0 CHG=2
+M  V30 43 Ru 7.93674 -4.94393 0.0 0 CHG=2
-M  V30 44 F 26.642 -3.175 0.0 0
+M  V30 44 P 13.175 -0.375 0.0 0 CHG=-1
-M  V30 45 P 27.508 -2.675 0.0 0 CHG=-1
+M  V30 45 F 13.175 -1.375 0.0 0
-M  V30 46 F 28.374 -3.175 0.0 0
+M  V30 46 F 13.175 0.625 0.0 0
-M  V30 47 F 27.508 -1.675 0.0 0
+M  V30 47 F 12.309 0.125 0.0 0
-M  V30 48 F 28.374 -2.175 0.0 0
+M  V30 48 F 14.041 -0.875 0.0 0
-M  V30 49 F 27.508 -3.675 0.0 0
+M  V30 49 F 14.041 0.125 0.0 0
-M  V30 50 F 26.642 -2.175 0.0 0
+M  V30 50 F 12.309 -0.875 0.0 0
-M  V30 51 F 26.684 -8.725 0.0 0
+M  V30 51 P 13.8 -2.85 0.0 0 CHG=-1
-M  V30 52 P 27.55 -8.225 0.0 0 CHG=-1
+M  V30 52 F 13.8 -3.85 0.0 0
-M  V30 53 F 28.416 -8.725 0.0 0
+M  V30 53 F 13.8 -1.85 0.0 0
-M  V30 54 F 27.55 -7.225 0.0 0
+M  V30 54 F 12.934 -2.35 0.0 0
-M  V30 55 F 28.416 -7.725 0.0 0
+M  V30 55 F 14.666 -3.35 0.0 0
-M  V30 56 F 27.55 -9.225 0.0 0
+M  V30 56 F 14.666 -2.35 0.0 0
-M  V30 57 F 26.684 -7.725 0.0 0
+M  V30 57 F 12.934 -3.35 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 81: / Line 81: @@
 M  V30 5 2 5 6
 M  V30 6 1 6 4
-M  V30 7 1 2 7
+M  V30 7 2 9 7
-M  V30 8 2 9 7
+M  V30 8 2 10 8
-M  V30 9 2 10 8
+M  V30 9 1 7 11
-M  V30 10 1 7 11
+M  V30 10 1 8 9
-M  V30 11 1 8 9
+M  V30 11 2 11 12
-M  V30 12 2 11 12
+M  V30 12 1 12 10
-M  V30 13 1 12 10
+M  V30 13 2 15 13
-M  V30 14 2 15 13
+M  V30 14 2 16 14
-M  V30 15 2 16 14
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-M  V30 16 1 13 17
+M  V30 16 1 14 15
-M  V30 17 1 14 15
+M  V30 17 2 17 18
-M  V30 18 2 17 18
+M  V30 18 1 18 16
-M  V30 19 1 18 16
+M  V30 19 2 21 19
-M  V30 20 1 18 19
+M  V30 20 2 22 20
-M  V30 21 2 21 19
+M  V30 21 1 19 23
-M  V30 22 2 22 20
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-M  V30 23 1 19 23
+M  V30 23 2 23 24
-M  V30 24 1 20 21
+M  V30 24 1 24 22
-M  V30 25 2 23 24
+M  V30 25 2 27 25
-M  V30 26 1 24 22
+M  V30 26 2 28 26
-M  V30 27 2 27 25
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-M  V30 28 2 28 26
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-M  V30 29 1 25 29
+M  V30 29 2 29 30
-M  V30 30 1 26 27
+M  V30 30 1 30 28
-M  V30 31 2 29 30
+M  V30 31 2 33 31
-M  V30 32 1 30 28
+M  V30 32 2 34 32
-M  V30 33 1 30 31
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-M  V30 34 2 33 31
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-M  V30 35 2 34 32
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-M  V30 36 1 31 35
+M  V30 36 1 36 34
-M  V30 37 1 32 33
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-M  V30 38 2 35 36
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-M  V30 39 1 36 34
+M  V30 39 1 7 4
-M  V30 40 1 1 37
+M  V30 40 1 12 37
-M  V30 41 1 8 38
+M  V30 41 1 5 38
-M  V30 42 1 14 39
+M  V30 42 1 34 39
-M  V30 43 1 20 40
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-M  V30 44 1 26 41
+M  V30 44 1 21 41
-M  V30 45 1 32 42
+M  V30 45 1 13 42
-M  V30 46 10 4 43
+M  V30 46 10 16 43
-M  V30 47 10 43 11
+M  V30 47 10 24 43
-M  V30 48 10 17 43
+M  V30 48 10 30 43
-M  V30 49 10 43 23
+M  V30 49 10 31 43
-M  V30 50 10 29 43
+M  V30 50 10 9 43
-M  V30 51 10 43 35
+M  V30 51 10 2 43
 M  V30 52 1 44 45
-M  V30 53 1 45 46
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-M  V30 54 1 45 47
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-M  V30 55 1 45 48
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-M  V30 56 1 45 49
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-M  V30 57 1 45 50
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 M  V30 58 1 51 52
-M  V30 59 1 52 53
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-M  V30 60 1 52 54
+M  V30 60 1 51 54
-M  V30 61 1 52 55
+M  V30 61 1 51 55
-M  V30 62 1 52 56
+M  V30 62 1 51 56
-M  V30 63 1 52 57
+M  V30 63 1 51 57
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
+|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
 |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
-|width=200
+|width=300px
-|height=200
+|height=200px
 |float=none
 |logP=

Molecule:100659: Difference between revisions

Revision as of 13:12, 26 February 2024

Molecule is used on following pages

Current site

Topics