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	F[P-](F)(F)(F)(F)F.c1cc[n]2[Ru+2]([C-]#[O+])([Cl-])([n]3ccccc3-c2c1)1[n]2ccccc2-c2cccc[n]21

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	n/a
Trivialname	n/a
Exact mass	627.00837064209
Molecular formula	C21H21ClF6N4OPRu+
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Revision as of 12:45, 10 January 2024

‎

[Ru(bpy)2ClCO][PF6]

Click here to copy MOL-file.

Click here to show SMILES and InChI.

Belongs to molecule collection: Molecule:100836 ‎

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 6: / Line 6: @@
 |synonyms=
 |hasVendors=
-|moleculeKey=MGJRIOOPVXEIGZ-UHFFFAOYSA-N
+|moleculeKey=QJMAHGUIKKRXBN-UHFFFAOYSA-M
 |molOrRxn=
-     RDKit          2D
+  -INDIGO-01102412442D
-  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 F 8.767 -6.05 0 0
+M  V30 1 F 8.767 -6.05 0.0 0
-M  V30 2 P 9.633 -5.55 0 0 CHG=-1
+M  V30 2 P 9.633 -5.55 0.0 0 CHG=-1
-M  V30 3 F 10.499 -6.05 0 0
+M  V30 3 F 10.499 -6.05 0.0 0
-M  V30 4 F 9.633 -4.55 0 0
+M  V30 4 F 9.633 -4.55 0.0 0
-M  V30 5 F 8.767 -5.05 0 0
+M  V30 5 F 8.767 -5.05 0.0 0
-M  V30 6 F 10.499 -5.05 0 0
+M  V30 6 F 10.499 -5.05 0.0 0
-M  V30 7 F 9.633 -6.55 0 0
+M  V30 7 F 9.633 -6.55 0.0 0
-M  V30 8 C 3.00985 -3.67507 0 0
+M  V30 8 C 3.00985 -3.67507 0.0 0
-M  V30 9 C 4.74015 -3.67459 0 0
+M  V30 9 C 4.74015 -3.67459 0.0 0
-M  V30 10 C 3.87664 -3.17497 0 0
+M  V30 10 C 3.87664 -3.17497 0.0 0
-M  V30 11 N 4.74015 -4.67553 0 0
+M  V30 11 N 4.74015 -4.67553 0.0 0
-M  V30 12 C 3.00985 -4.68002 0 0
+M  V30 12 C 3.00985 -4.68002 0.0 0
-M  V30 13 C 3.87882 -5.17503 0 0
+M  V30 13 C 3.87882 -5.17503 0.0 0
-M  V30 14 C 5.60641 -3.17499 0 0
+M  V30 14 C 5.60641 -3.17499 0.0 0
-M  V30 15 C 6.47083 -1.67609 0 0
+M  V30 15 C 6.47083 -1.67609 0.0 0
-M  V30 16 C 5.60649 -2.17428 0 0
+M  V30 16 C 5.60649 -2.17428 0.0 0
-M  V30 17 C 7.33778 -2.17638 0 0
+M  V30 17 C 7.33778 -2.17638 0.0 0
-M  V30 18 N 6.47682 -3.67729 0 0
+M  V30 18 N 6.47682 -3.67729 0.0 0
-M  V30 19 C 7.3399 -3.17207 0 0
+M  V30 19 C 7.3399 -3.17207 0.0 0
-M  V30 20 C 3.03485 -6.65007 0 0
+M  V30 20 C 3.03485 -6.65007 0.0 0
-M  V30 21 N 4.76515 -6.64959 0 0
+M  V30 21 N 4.76515 -6.64959 0.0 0
-M  V30 22 C 3.90164 -6.14997 0 0
+M  V30 22 C 3.90164 -6.14997 0.0 0
-M  V30 23 C 4.76515 -7.65053 0 0
+M  V30 23 C 4.76515 -7.65053 0.0 0
-M  V30 24 C 3.03485 -7.65502 0 0
+M  V30 24 C 3.03485 -7.65502 0.0 0
-M  V30 25 C 3.90382 -8.15003 0 0
+M  V30 25 C 3.90382 -8.15003 0.0 0
-M  V30 26 C 5.63166 -8.1497 0 0
+M  V30 26 C 5.63166 -8.1497 0.0 0
-M  V30 27 C 7.36196 -8.14639 0 0
+M  V30 27 C 7.36196 -8.14639 0.0 0
-M  V30 28 N 6.49763 -7.64818 0 0
+M  V30 28 N 6.49763 -7.64818 0.0 0
-M  V30 29 C 7.36359 -9.14733 0 0
+M  V30 29 C 7.36359 -9.14733 0.0 0
-M  V30 30 C 5.6333 -9.15464 0 0
+M  V30 30 C 5.6333 -9.15464 0.0 0
-M  V30 31 C 6.50308 -9.64824 0 0
+M  V30 31 C 6.50308 -9.64824 0.0 0
-M  V30 32 Ru 6.48118 -5.65053 0 0 CHG=2
+M  V30 32 Ru 6.48118 -5.65053 0.0 0 CHG=2
-M  V30 33 Cl 7.4972 -6.22553 0 0
+M  V30 33 Cl 7.4972 -6.22553 0.0 0 CHG=-1
-M  V30 34 C 7.4971 -4.94171 0 0
+M  V30 34 C 7.4971 -4.94171 0.0 0 CHG=-1
-M  V30 35 O 8.93222 -4.50533 0 0
+M  V30 35 O 8.93222 -4.50533 0.0 0 CHG=1
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 88: / Line 88: @@
 M  V30 36 10 32 18
 M  V30 37 10 32 33
-M  V30 38 1 34 35
+M  V30 38 3 34 35
 M  V30 39 10 32 34
 M  V30 END BOND
@@ Line 94: / Line 94: @@
 M  END
-|smiles=F[P-](F)(F)(F)(F)F.OC~[Ru+2]12(~Cl)(~n3ccccc3-c3ccccn~13)~n1ccccc1-c1ccccn~21
+|smiles=F[P-](F)(F)(F)(F)F.c1cc[n]2[Ru+2]([C-]#[O+])([Cl-])([n]3ccccc3-c2c1)1[n]2ccccc2-c2cccc[n]21
-|inchi=InChI=1S/2C10H8N2.CH4O.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;2H,1H3;1H;;/q;;;;-1;+2
+|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=MGJRIOOPVXEIGZ-UHFFFAOYSA-N
+|inchikey=QJMAHGUIKKRXBN-UHFFFAOYSA-M
 |width=200
 |height=200

Molecule:100840: Difference between revisions

Revision as of 12:45, 10 January 2024

Molecule is used on following pages

Current site

Topics