Molecule:100840: Difference between revisions

InChI	1S/2C10H8N2.CO.ClH.F6P.Ru/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;;1H;;/q;;;;-1;+2/p-1
InChI-Key	QJMAHGUIKKRXBN-UHFFFAOYSA-M
SMILES	c1cc[n]2[Ru+2]([Cl-])([C-]#[O+])3([n]4ccccc4-c4cccc[n]43)[n]3ccccc3-c2c1.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 11:17, 26 February 2024

‎

[Ru(bpy)2ClCO][PF6]

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Click here to show SMILES and InChI.

Belongs to molecule collection: Molecule:100856 ‎

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 5: / Line 5: @@
 |moleculeKey=QJMAHGUIKKRXBN-UHFFFAOYSA-M
 |molOrRxn=
-     RDKit          2D
+  -INDIGO-02262411162D
-  0  0  0  0  0  0  0  0  0999 V3000
+  0  0  0  0  0  0  0  0  0  0 V3000
 M  V30 BEGIN CTAB
 M  V30 COUNTS 35 39 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 6.02243 -3.73512 0 0
+M  V30 1 C 6.02243 -3.73512 0.0 0
-M  V30 2 C 7.49391 -3.73472 0 0
+M  V30 2 C 7.49391 -3.73472 0.0 0
-M  V30 3 C 6.75957 -3.30983 0 0
+M  V30 3 C 6.75957 -3.30983 0.0 0
-M  V30 4 N 7.49391 -4.58594 0 0
+M  V30 4 N 7.49391 -4.58594 0.0 0
-M  V30 5 C 6.02243 -4.58976 0 0
+M  V30 5 C 6.02243 -4.58976 0.0 0
-M  V30 6 C 6.76142 -5.01073 0 0
+M  V30 6 C 6.76142 -5.01073 0.0 0
-M  V30 7 C 8.2306 -3.30985 0 0
+M  V30 7 C 8.2306 -3.30985 0.0 0
-M  V30 8 C 8.96573 -2.03515 0 0
+M  V30 8 C 8.96573 -2.03515 0.0 0
-M  V30 9 C 8.23067 -2.45882 0 0
+M  V30 9 C 8.23067 -2.45882 0.0 0
-M  V30 10 C 9.70305 -2.4606 0 0
+M  V30 10 C 9.70305 -2.4606 0.0 0
-M  V30 11 N 8.97082 -3.73701 0 0
+M  V30 11 N 8.97082 -3.73701 0.0 0
-M  V30 12 C 9.70482 -3.30737 0 0
+M  V30 12 C 9.70482 -3.30737 0.0 0
-M  V30 13 C 9.72498 -8.38887 0 0
+M  V30 13 C 9.72498 -8.38887 0.0 0
-M  V30 14 N 8.98851 -7.11395 0 0
+M  V30 14 N 8.98851 -7.11395 0.0 0
-M  V30 15 C 9.7236 -7.53764 0 0
+M  V30 15 C 9.7236 -7.53764 0.0 0
-M  V30 16 C 8.25207 -7.54046 0 0
+M  V30 16 C 8.25207 -7.54046 0.0 0
-M  V30 17 C 8.99315 -8.81485 0 0
+M  V30 17 C 8.99315 -8.81485 0.0 0
-M  V30 18 C 8.25347 -8.39508 0 0
+M  V30 18 C 8.25347 -8.39508 0.0 0
-M  V30 19 C 7.51517 -7.11595 0 0
+M  V30 19 C 7.51517 -7.11595 0.0 0
-M  V30 20 C 6.78082 -5.83984 0 0
+M  V30 20 C 6.78082 -5.83984 0.0 0
-M  V30 21 N 7.51517 -6.26473 0 0
+M  V30 21 N 7.51517 -6.26473 0.0 0
-M  V30 22 C 6.04369 -6.26514 0 0
+M  V30 22 C 6.04369 -6.26514 0.0 0
-M  V30 23 C 6.78268 -7.54074 0 0
+M  V30 23 C 6.78268 -7.54074 0.0 0
-M  V30 24 C 6.04369 -7.11977 0 0
+M  V30 24 C 6.04369 -7.11977 0.0 0
-M  V30 25 Ru 8.96416 -5.35948 0 0 CHG=2
+M  V30 25 Ru 8.96416 -5.35948 0.0 0 CHG=2
-M  V30 26 C 10.3815 -6.07253 0 0 CHG=-1
+M  V30 26 C 10.3815 -6.07253 0.0 0 CHG=-1
-M  V30 27 O 11.2332 -6.5643 0 0 CHG=1
+M  V30 27 O 11.2332 -6.5643 0.0 0 CHG=1
-M  V30 28 F 11.9741 -3.90053 0 0
+M  V30 28 Cl 10.3323 -4.40054 0.0 0 CHG=-1
-M  V30 29 P 12.8258 -3.40877 0 0 CHG=-1
+M  V30 29 F 11.9741 -3.90053 0.0 0
-M  V30 30 F 13.6776 -3.90053 0 0
+M  V30 30 P 12.8258 -3.40877 0.0 0 CHG=-1
-M  V30 31 F 12.8258 -2.42524 0 0
+M  V30 31 F 13.6776 -3.90053 0.0 0
-M  V30 32 F 11.9741 -2.91701 0 0
+M  V30 32 F 12.8258 -2.42524 0.0 0
-M  V30 33 F 13.6776 -2.91701 0 0
+M  V30 33 F 11.9741 -2.91701 0.0 0
-M  V30 34 F 12.8258 -4.3923 0 0
+M  V30 34 F 13.6776 -2.91701 0.0 0
-M  V30 35 Cl 10.3323 -4.40054 0 0 CHG=-1
+M  V30 35 F 12.8258 -4.3923 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 80: / Line 80: @@
 M  V30 31 10 25 26
 M  V30 32 3 26 27
-M  V30 33 1 28 29
+M  V30 33 10 25 28
 M  V30 34 1 29 30
-M  V30 35 1 29 31
+M  V30 35 1 30 31
-M  V30 36 1 29 32
+M  V30 36 1 30 32
-M  V30 37 1 29 33
+M  V30 37 1 30 33
-M  V30 38 1 29 34
+M  V30 38 1 30 34
-M  V30 39 10 25 35
+M  V30 39 1 30 35
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=F[P-](F)(F)(F)(F)F.[O+]#[C-]~[Ru+2]12(~[Cl-])(~n3ccccc3-c3ccccn~13)~n1ccccc1-c1ccccn~21
+|smiles=c1cc[n]2[Ru+2]([Cl-])([C-]#[O+])3([n]4ccccc4-c4cccc[n]43)[n]3ccccc3-c2c1.F[P-](F)(F)(F)(F)F
-|inchi=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
+|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
 |inchikey=QJMAHGUIKKRXBN-UHFFFAOYSA-M
 |width=200

Molecule:100840: Difference between revisions

Revision as of 11:17, 26 February 2024

Molecule is used on following pages

Current site

Topics