Molecule:100840: Difference between revisions

InChI	1S/2C12H10.CO.ClH.F6P.Ru/c21-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2;;1-7(2,3,4,5)6;/h21-10H;;1H;;/q;;;;-1;+2/p-1
InChI-Key	LWFFSSLSKPJAHX-UHFFFAOYSA-M
SMILES	C1=CC=C2[Ru+2]([Cl-])([C-]#[O+])3(C4=CC=CC=C4C4C=CC=CC=43)C3C=CC=CC=3C2=C1.F[P-](F)(F)(F)(F)F

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	[Ru(bpy)2ClCO][PF6]
Trivialname	n/a
Exact mass	621.969794062
Molecular formula	C21H16ClF6N4OPRu
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Revision as of 11:18, 26 February 2024

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The molecule template was defined here: Photochemical Reduction of Carbon Dioxide to Formic Acid using Ruthenium(II)-Based Catalysts and Visible Light

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 3: / Line 3: @@
 |molecularFormula=C<sub>21</sub>H<sub>16</sub>ClF<sub>6</sub>N<sub>4</sub>OPRu
 |molecularMass=621.969794062
-|moleculeKey=QJMAHGUIKKRXBN-UHFFFAOYSA-M
+|moleculeKey=LWFFSSLSKPJAHX-UHFFFAOYSA-M
 |molOrRxn=
-   -INDIGO-02262411152D
+   -INDIGO-02262411172D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 14: / Line 14: @@
 M  V30 2 C 7.49391 -3.73472 0.0 0
 M  V30 3 C 6.75957 -3.30983 0.0 0
-M  V30 4 N 7.49391 -4.58594 0.0 0
+M  V30 4 C 7.49391 -4.58594 0.0 0
 M  V30 5 C 6.02243 -4.58976 0.0 0
 M  V30 6 C 6.76142 -5.01073 0.0 0
@@ Line 21: / Line 21: @@
 M  V30 9 C 8.23067 -2.45882 0.0 0
 M  V30 10 C 9.70305 -2.4606 0.0 0
-M  V30 11 N 8.97082 -3.73701 0.0 0
+M  V30 11 C 8.97082 -3.73701 0.0 0
 M  V30 12 C 9.70482 -3.30737 0.0 0
-M  V30 13 C 6.04369 -6.26514 0.0 0
+M  V30 13 C 9.72498 -8.38887 0.0 0
-M  V30 14 N 7.51517 -6.26473 0.0 0
+M  V30 14 C 8.98851 -7.11395 0.0 0
-M  V30 15 C 6.78082 -5.83984 0.0 0
+M  V30 15 C 9.7236 -7.53764 0.0 0
-M  V30 16 C 7.51517 -7.11595 0.0 0
+M  V30 16 C 8.25207 -7.54046 0.0 0
-M  V30 17 C 6.04369 -7.11977 0.0 0
+M  V30 17 C 8.99315 -8.81485 0.0 0
-M  V30 18 C 6.78268 -7.54074 0.0 0
+M  V30 18 C 8.25347 -8.39508 0.0 0
-M  V30 19 C 8.25207 -7.54046 0.0 0
+M  V30 19 C 7.51517 -7.11595 0.0 0
-M  V30 20 C 9.7236 -7.53764 0.0 0
+M  V30 20 C 6.78082 -5.83984 0.0 0
-M  V30 21 N 8.98851 -7.11395 0.0 0
+M  V30 21 C 7.51517 -6.26473 0.0 0
-M  V30 22 C 9.72498 -8.38887 0.0 0
+M  V30 22 C 6.04369 -6.26514 0.0 0
-M  V30 23 C 8.25347 -8.39508 0.0 0
+M  V30 23 C 6.78268 -7.54074 0.0 0
-M  V30 24 C 8.99315 -8.81485 0.0 0
+M  V30 24 C 6.04369 -7.11977 0.0 0
 M  V30 25 Ru 8.96416 -5.35948 0.0 0 CHG=2
-M  V30 26 Cl 10.3323 -4.40054 0.0 0 CHG=-1
+M  V30 26 C 10.3815 -6.07253 0.0 0 CHG=-1
-M  V30 27 C 10.3815 -6.07253 0.0 0 CHG=-1
+M  V30 27 O 11.2332 -6.5643 0.0 0 CHG=1
-M  V30 28 O 11.2332 -6.5643 0.0 0 CHG=1
+M  V30 28 Cl 10.3323 -4.40054 0.0 0 CHG=-1
 M  V30 29 F 11.9741 -3.90053 0.0 0
 M  V30 30 P 12.8258 -3.40877 0.0 0 CHG=-1
@@ Line 48: / Line 48: @@
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 2 3 1
+M  V30 1 1 3 1
-M  V30 2 2 4 2
+M  V30 2 1 4 2
-M  V30 3 1 1 5
+M  V30 3 2 1 5
-M  V30 4 1 2 3
+M  V30 4 2 2 3
-M  V30 5 2 5 6
+M  V30 5 1 5 6
-M  V30 6 1 6 4
+M  V30 6 2 6 4
 M  V30 7 1 2 7
-M  V30 8 2 9 7
+M  V30 8 1 9 7
-M  V30 9 2 10 8
+M  V30 9 1 10 8
-M  V30 10 1 7 11
+M  V30 10 2 7 11
-M  V30 11 1 8 9
+M  V30 11 2 8 9
-M  V30 12 2 11 12
+M  V30 12 1 11 12
-M  V30 13 1 12 10
+M  V30 13 2 12 10
-M  V30 14 2 15 13
+M  V30 14 1 15 13
-M  V30 15 2 16 14
+M  V30 15 1 16 14
-M  V30 16 1 13 17
+M  V30 16 2 13 17
-M  V30 17 1 14 15
+M  V30 17 2 14 15
-M  V30 18 2 17 18
+M  V30 18 1 17 18
-M  V30 19 1 18 16
+M  V30 19 2 18 16
 M  V30 20 1 16 19
 M  V30 21 2 21 19
@@ Line 79: / Line 79: @@
 M  V30 30 10 25 4
 M  V30 31 10 25 26
-M  V30 32 10 25 27
+M  V30 32 3 26 27
-M  V30 33 3 27 28
+M  V30 33 10 25 28
 M  V30 34 1 29 30
 M  V30 35 1 30 31
@@ Line 90: / Line 90: @@
 M  V30 END CTAB
 M  END
-|smiles=C1C=CN2[Ru+2]([C-]#[O+])([Cl-])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.ClH.F6P.Ru/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;;1H;;/q;;;;-1;+2/p-1
+|smiles=C1=CC=C2[Ru+2]([Cl-])([C-]#[O+])3(C4=CC=CC=C4C4C=CC=CC=43)C3C=CC=CC=3C2=C1.F[P-](F)(F)(F)(F)F
-|inchikey=QJMAHGUIKKRXBN-UHFFFAOYSA-M
+|inchi=1S/2C12H10.CO.ClH.F6P.Ru/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2;;1-7(2,3,4,5)6;/h2*1-10H;;1H;;/q;;;;-1;+2/p-1
+|inchikey=LWFFSSLSKPJAHX-UHFFFAOYSA-M
 |width=300px
 |height=200px

Molecule:100840: Difference between revisions

Revision as of 11:18, 26 February 2024

Molecule is used on following pages

Current site

Topics