Molecule:100838: Difference between revisions

InChI	1S/2C10H8N2.CO.F6P.Ru.H/c21-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;1-7(2,3,4,5)6;;/h21-8H;;;;/q;;;-1;+2;-1
InChI-Key	HJTHNVDYVJWKQG-UHFFFAOYSA-N
SMILES	C1C=CN2[Ru+2]([C-]#[O+])([H-])3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.F[P-](F)(F)(F)(F)F

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	[Ru(bpy)2HCO][PF6]
Trivialname	n/a
Exact mass	590.024416478
Molecular formula	C21H19F6N4OPRu
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Revision as of 11:20, 26 February 2024

‎

[Ru(bpy)2HCO][PF6]

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light

investigation

Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light/Table 3 - CV
Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light/Table 1
Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light/Table 2
Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light/Optimization of concentrations
Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light/CO2 reduction experiments

@@ Line 5: / Line 5: @@
 |moleculeKey=HJTHNVDYVJWKQG-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-02262411182D
+   -INDIGO-02262411192D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 11: / Line 11: @@
 M  V30 COUNTS 35 39 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 4.57242 -3.91012 0.0 0
+M  V30 1 C 7.84742 -0.185121 0.0 0
-M  V30 2 C 6.0439 -3.90972 0.0 0
+M  V30 2 C 9.3189 -0.184721 0.0 0
-M  V30 3 C 5.30956 -3.48483 0.0 0
+M  V30 3 C 8.58456 0.240169 0.0 0
-M  V30 4 N 6.0439 -4.76094 0.0 0
+M  V30 4 N 9.3189 -1.03594 0.0 0
-M  V30 5 C 4.57242 -4.76476 0.0 0
+M  V30 5 C 7.84742 -1.03976 0.0 0
-M  V30 6 C 5.31141 -5.18573 0.0 0
+M  V30 6 C 8.58641 -1.46073 0.0 0
-M  V30 7 C 6.78059 -3.48485 0.0 0
+M  V30 7 C 10.0556 0.240148 0.0 0
-M  V30 8 C 7.51572 -2.21015 0.0 0
+M  V30 8 C 10.7907 1.51485 0.0 0
-M  V30 9 C 6.78066 -2.63382 0.0 0
+M  V30 9 C 10.0557 1.09118 0.0 0
-M  V30 10 C 8.25303 -2.6356 0.0 0
+M  V30 10 C 11.528 1.0894 0.0 0
-M  V30 11 N 7.52081 -3.91201 0.0 0
+M  V30 11 N 10.7958 -0.187011 0.0 0
-M  V30 12 C 8.2548 -3.48237 0.0 0
+M  V30 12 C 11.5298 0.242629 0.0 0
-M  V30 13 C 4.59368 -6.44014 0.0 0
+M  V30 13 C 7.86868 -2.71514 0.0 0
-M  V30 14 N 6.06516 -6.43973 0.0 0
+M  V30 14 N 9.34016 -2.71473 0.0 0
-M  V30 15 C 5.33081 -6.01484 0.0 0
+M  V30 15 C 8.60581 -2.28984 0.0 0
-M  V30 16 C 6.06516 -7.29095 0.0 0
+M  V30 16 C 9.34016 -3.56595 0.0 0
-M  V30 17 C 4.59368 -7.29477 0.0 0
+M  V30 17 C 7.86868 -3.56977 0.0 0
-M  V30 18 C 5.33267 -7.71574 0.0 0
+M  V30 18 C 8.60767 -3.99074 0.0 0
-M  V30 19 C 6.80206 -7.71546 0.0 0
+M  V30 19 C 10.0771 -3.99046 0.0 0
-M  V30 20 C 8.27359 -7.71264 0.0 0
+M  V30 20 C 11.5486 -3.98764 0.0 0
-M  V30 21 N 7.5385 -7.28895 0.0 0
+M  V30 21 N 10.8135 -3.56395 0.0 0
-M  V30 22 C 8.27497 -8.56387 0.0 0
+M  V30 22 C 11.55 -4.83887 0.0 0
-M  V30 23 C 6.80346 -8.57008 0.0 0
+M  V30 23 C 10.0785 -4.84508 0.0 0
-M  V30 24 C 7.54314 -8.98985 0.0 0
+M  V30 24 C 10.8181 -5.26485 0.0 0
-M  V30 25 Ru 7.51415 -5.53448 0.0 0 CHG=2
+M  V30 25 Ru 10.7891 -1.80948 0.0 0 CHG=2
-M  V30 26 H 8.88229 -4.57554 0.0 0 CHG=-1
+M  V30 26 H 12.1573 -0.850541 0.0 0 CHG=-1
-M  V30 27 C 8.93149 -6.24753 0.0 0 CHG=-1
+M  V30 27 C 12.2065 -2.52253 0.0 0 CHG=-1
-M  V30 28 O 9.78318 -6.7393 0.0 0 CHG=1
+M  V30 28 O 13.0582 -3.0143 0.0 0 CHG=1
-M  V30 29 F 10.5241 -4.07553 0.0 0
+M  V30 29 F 13.7991 -0.350531 0.0 0
-M  V30 30 P 11.3758 -3.58377 0.0 0 CHG=-1
+M  V30 30 P 14.6508 0.141228 0.0 0 CHG=-1
-M  V30 31 F 12.2276 -4.07553 0.0 0
+M  V30 31 F 15.5026 -0.350531 0.0 0
-M  V30 32 F 11.3758 -2.60024 0.0 0
+M  V30 32 F 14.6508 1.12476 0.0 0
-M  V30 33 F 10.5241 -3.09201 0.0 0
+M  V30 33 F 13.7991 0.632988 0.0 0
-M  V30 34 F 12.2276 -3.09201 0.0 0
+M  V30 34 F 15.5026 0.632988 0.0 0
-M  V30 35 F 11.3758 -4.5673 0.0 0
+M  V30 35 F 14.6508 -0.842301 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 90: / Line 90: @@
 M  V30 END CTAB
 M  END
 |smiles=C1C=CN2[Ru+2]([C-]#[O+])([H-])3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.F[P-](F)(F)(F)(F)F
 |inchi=1S/2C10H8N2.CO.F6P.Ru.H/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;1-7(2,3,4,5)6;;/h2*1-8H;;;;/q;;;-1;+2;-1

Molecule:100838: Difference between revisions

Revision as of 11:20, 26 February 2024

Molecule is used on following pages

Current site

Topics