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	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

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

Latest revision as of 10:13, 28 June 2024

‎

[Ru(bpy)2ClCO][PF6]

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

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 1: / Line 1: @@
 {{Molecule
-|trivialname=
+|abbrev=[Ru(bpy)2ClCO][PF6]
-|abbrev=
+|molecularFormula=C<sub>21</sub>H<sub>16</sub>ClF<sub>6</sub>N<sub>4</sub>OPRu
-|molecularFormula=C<sub>21</sub>H<sub>21</sub>ClF<sub>6</sub>N<sub>4</sub>OPRu+
+|molecularMass=621.969794062
-|molecularMass=627.00837064209
+|moleculeKey=QJMAHGUIKKRXBN-UHFFFAOYSA-M
-|synonyms=
-|hasVendors=
-|moleculeKey=MGJRIOOPVXEIGZ-UHFFFAOYSA-N
 |molOrRxn=
-     RDKit          2D
+  -INDIGO-02262411182D
-  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 C 7.92242 -4.28512 0.0 0
-M  V30 2 P 9.633 -5.55 0 0 CHG=-1
+M  V30 2 C 9.3939 -4.28472 0.0 0
-M  V30 3 F 10.499 -6.05 0 0
+M  V30 3 C 8.65956 -3.85983 0.0 0
-M  V30 4 F 9.633 -4.55 0 0
+M  V30 4 N 9.3939 -5.13594 0.0 0
-M  V30 5 F 8.767 -5.05 0 0
+M  V30 5 C 7.92242 -5.13976 0.0 0
-M  V30 6 F 10.499 -5.05 0 0
+M  V30 6 C 8.66141 -5.56073 0.0 0
-M  V30 7 F 9.633 -6.55 0 0
+M  V30 7 C 10.1306 -3.85985 0.0 0
-M  V30 8 C 3.00985 -3.67507 0 0
+M  V30 8 C 10.8657 -2.58515 0.0 0
-M  V30 9 C 4.74015 -3.67459 0 0
+M  V30 9 C 10.1307 -3.00882 0.0 0
-M  V30 10 C 3.87664 -3.17497 0 0
+M  V30 10 C 11.603 -3.0106 0.0 0
-M  V30 11 N 4.74015 -4.67553 0 0
+M  V30 11 N 10.8708 -4.28701 0.0 0
-M  V30 12 C 3.00985 -4.68002 0 0
+M  V30 12 C 11.6048 -3.85737 0.0 0
-M  V30 13 C 3.87882 -5.17503 0 0
+M  V30 13 C 7.94368 -6.81514 0.0 0
-M  V30 14 C 5.60641 -3.17499 0 0
+M  V30 14 N 9.41516 -6.81473 0.0 0
-M  V30 15 C 6.47083 -1.67609 0 0
+M  V30 15 C 8.68081 -6.38984 0.0 0
-M  V30 16 C 5.60649 -2.17428 0 0
+M  V30 16 C 9.41516 -7.66595 0.0 0
-M  V30 17 C 7.33778 -2.17638 0 0
+M  V30 17 C 7.94368 -7.66977 0.0 0
-M  V30 18 N 6.47682 -3.67729 0 0
+M  V30 18 C 8.68267 -8.09074 0.0 0
-M  V30 19 C 7.3399 -3.17207 0 0
+M  V30 19 C 10.1521 -8.09046 0.0 0
-M  V30 20 C 3.03485 -6.65007 0 0
+M  V30 20 C 11.6236 -8.08764 0.0 0
-M  V30 21 N 4.76515 -6.64959 0 0
+M  V30 21 N 10.8885 -7.66395 0.0 0
-M  V30 22 C 3.90164 -6.14997 0 0
+M  V30 22 C 11.625 -8.93887 0.0 0
-M  V30 23 C 4.76515 -7.65053 0 0
+M  V30 23 C 10.1535 -8.94508 0.0 0
-M  V30 24 C 3.03485 -7.65502 0 0
+M  V30 24 C 10.8931 -9.36485 0.0 0
-M  V30 25 C 3.90382 -8.15003 0 0
+M  V30 25 Ru 10.8641 -5.90948 0.0 0 CHG=2
-M  V30 26 C 5.63166 -8.1497 0 0
+M  V30 26 Cl 12.2323 -4.95054 0.0 0 CHG=-1
-M  V30 27 C 7.36196 -8.14639 0 0
+M  V30 27 C 12.2815 -6.62253 0.0 0 CHG=-1
-M  V30 28 N 6.49763 -7.64818 0 0
+M  V30 28 O 13.1332 -7.1143 0.0 0 CHG=1
-M  V30 29 C 7.36359 -9.14733 0 0
+M  V30 29 F 13.8741 -4.45053 0.0 0
-M  V30 30 C 5.6333 -9.15464 0 0
+M  V30 30 P 14.7258 -3.95877 0.0 0 CHG=-1
-M  V30 31 C 6.50308 -9.64824 0 0
+M  V30 31 F 15.5776 -4.45053 0.0 0
-M  V30 32 Ru 6.48118 -5.65053 0 0 CHG=2
+M  V30 32 F 14.7258 -2.97524 0.0 0
-M  V30 33 Cl 7.4972 -6.22553 0 0
+M  V30 33 F 13.8741 -3.46701 0.0 0
-M  V30 34 C 7.4971 -4.94171 0 0
+M  V30 34 F 15.5776 -3.46701 0.0 0
-M  V30 35 O 8.93222 -4.50533 0 0
+M  V30 35 F 14.7258 -4.9423 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 1 1 2
+M  V30 1 2 3 1
-M  V30 2 1 2 3
+M  V30 2 2 4 2
-M  V30 3 1 2 4
+M  V30 3 1 1 5
-M  V30 4 1 2 5
+M  V30 4 1 2 3
-M  V30 5 1 2 6
+M  V30 5 2 5 6
-M  V30 6 1 2 7
+M  V30 6 1 6 4
-M  V30 7 4 10 8
+M  V30 7 1 2 7
-M  V30 8 4 11 9
+M  V30 8 2 9 7
-M  V30 9 4 8 12
+M  V30 9 2 10 8
-M  V30 10 4 9 10
+M  V30 10 1 7 11
-M  V30 11 4 12 13
+M  V30 11 1 8 9
-M  V30 12 4 13 11
+M  V30 12 2 11 12
-M  V30 13 1 9 14
+M  V30 13 1 12 10
-M  V30 14 4 16 14
+M  V30 14 2 15 13
-M  V30 15 4 17 15
+M  V30 15 2 16 14
-M  V30 16 4 14 18
+M  V30 16 1 13 17
-M  V30 17 4 15 16
+M  V30 17 1 14 15
-M  V30 18 4 18 19
+M  V30 18 2 17 18
-M  V30 19 4 19 17
+M  V30 19 1 18 16
-M  V30 20 4 22 20
+M  V30 20 1 16 19
-M  V30 21 4 23 21
+M  V30 21 2 21 19
-M  V30 22 4 20 24
+M  V30 22 2 22 20
-M  V30 23 4 21 22
+M  V30 23 1 19 23
-M  V30 24 4 24 25
+M  V30 24 1 20 21
-M  V30 25 4 25 23
+M  V30 25 2 23 24
-M  V30 26 1 23 26
+M  V30 26 1 24 22
-M  V30 27 4 28 26
+M  V30 27 10 11 25
-M  V30 28 4 29 27
+M  V30 28 10 25 21
-M  V30 29 4 26 30
+M  V30 29 10 25 14
-M  V30 30 4 27 28
+M  V30 30 10 25 4
-M  V30 31 4 30 31
+M  V30 31 10 25 26
-M  V30 32 4 31 29
+M  V30 32 10 25 27
-M  V30 33 10 11 32
+M  V30 33 3 27 28
-M  V30 34 10 32 21
+M  V30 34 1 29 30
-M  V30 35 10 32 28
+M  V30 35 1 30 31
-M  V30 36 10 32 18
+M  V30 36 1 30 32
-M  V30 37 10 32 33
+M  V30 37 1 30 33
-M  V30 38 1 34 35
+M  V30 38 1 30 34
-M  V30 39 10 32 34
+M  V30 39 1 30 35
 M  V30 END BOND
 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
-|smiles=F[P-](F)(F)(F)(F)F.OC~[Ru+2]12(~Cl)(~n3ccccc3-c3ccccn~13)~n1ccccc1-c1ccccn~21
+|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=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
+|inchikey=QJMAHGUIKKRXBN-UHFFFAOYSA-M
-|inchikey=MGJRIOOPVXEIGZ-UHFFFAOYSA-N
 |width=200
 |height=200
 |float=none
-|parent=Molecule:100836
+|parent=
+|trivialname=
+|synonyms=
+|hasVendors=
 }}

Molecule:100840: Difference between revisions

Latest revision as of 10:13, 28 June 2024

Molecule is used on following pages

Current site

Topics