Molecule:100840: Difference between revisions

InChI	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.[O+]#[C-]~[Ru+2]12(~[Cl-])(~n3ccccc3-c3ccccn~13)~n1ccccc1-c1ccccn~21

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 12:29, 12 January 2024

‎

[Ru(bpy)2ClCO][PF6]

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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 1: / Line 1: @@
 {{Molecule
 |abbrev=[Ru(bpy)2ClCO][PF6]
-|molecularFormula=C<sub>21</sub>H<sub>21</sub>ClF<sub>6</sub>N<sub>4</sub>OPRu+
+|molecularFormula=C<sub>21</sub>H<sub>16</sub>ClF<sub>6</sub>N<sub>4</sub>OPRu
-|molecularMass=627.00837064209
+|molecularMass=621.969794062
 |moleculeKey=QJMAHGUIKKRXBN-UHFFFAOYSA-M
-|molOrRxn=-INDIGO-01102412442D
+|molOrRxn=
+     RDKit          2D
-  0  0  0  0  0  0  0  0  0  0 V3000
+  0  0  0  0  0  0  0  0  0999 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 0
+M  V30 1 C 6.02243 -3.73512 0 0
-M  V30 2 P 9.633 -5.55 0.0 0 CHG=-1
+M  V30 2 C 7.49391 -3.73472 0 0
-M  V30 3 F 10.499 -6.05 0.0 0
+M  V30 3 C 6.75957 -3.30983 0 0
-M  V30 4 F 9.633 -4.55 0.0 0
+M  V30 4 N 7.49391 -4.58594 0 0
-M  V30 5 F 8.767 -5.05 0.0 0
+M  V30 5 C 6.02243 -4.58976 0 0
-M  V30 6 F 10.499 -5.05 0.0 0
+M  V30 6 C 6.76142 -5.01073 0 0
-M  V30 7 F 9.633 -6.55 0.0 0
+M  V30 7 C 8.2306 -3.30985 0 0
-M  V30 8 C 3.00985 -3.67507 0.0 0
+M  V30 8 C 8.96573 -2.03515 0 0
-M  V30 9 C 4.74015 -3.67459 0.0 0
+M  V30 9 C 8.23067 -2.45882 0 0
-M  V30 10 C 3.87664 -3.17497 0.0 0
+M  V30 10 C 9.70305 -2.4606 0 0
-M  V30 11 N 4.74015 -4.67553 0.0 0
+M  V30 11 N 8.97082 -3.73701 0 0
-M  V30 12 C 3.00985 -4.68002 0.0 0
+M  V30 12 C 9.70482 -3.30737 0 0
-M  V30 13 C 3.87882 -5.17503 0.0 0
+M  V30 13 C 9.72498 -8.38887 0 0
-M  V30 14 C 5.60641 -3.17499 0.0 0
+M  V30 14 N 8.98851 -7.11395 0 0
-M  V30 15 C 6.47083 -1.67609 0.0 0
+M  V30 15 C 9.7236 -7.53764 0 0
-M  V30 16 C 5.60649 -2.17428 0.0 0
+M  V30 16 C 8.25207 -7.54046 0 0
-M  V30 17 C 7.33778 -2.17638 0.0 0
+M  V30 17 C 8.99315 -8.81485 0 0
-M  V30 18 N 6.47682 -3.67729 0.0 0
+M  V30 18 C 8.25347 -8.39508 0 0
-M  V30 19 C 7.3399 -3.17207 0.0 0
+M  V30 19 C 7.51517 -7.11595 0 0
-M  V30 20 C 3.03485 -6.65007 0.0 0
+M  V30 20 C 6.78082 -5.83984 0 0
-M  V30 21 N 4.76515 -6.64959 0.0 0
+M  V30 21 N 7.51517 -6.26473 0 0
-M  V30 22 C 3.90164 -6.14997 0.0 0
+M  V30 22 C 6.04369 -6.26514 0 0
-M  V30 23 C 4.76515 -7.65053 0.0 0
+M  V30 23 C 6.78268 -7.54074 0 0
-M  V30 24 C 3.03485 -7.65502 0.0 0
+M  V30 24 C 6.04369 -7.11977 0 0
-M  V30 25 C 3.90382 -8.15003 0.0 0
+M  V30 25 Ru 8.96416 -5.35948 0 0 CHG=2
-M  V30 26 C 5.63166 -8.1497 0.0 0
+M  V30 26 C 10.3815 -6.07253 0 0 CHG=-1
-M  V30 27 C 7.36196 -8.14639 0.0 0
+M  V30 27 O 11.2332 -6.5643 0 0 CHG=1
-M  V30 28 N 6.49763 -7.64818 0.0 0
+M  V30 28 F 11.9741 -3.90053 0 0
-M  V30 29 C 7.36359 -9.14733 0.0 0
+M  V30 29 P 12.8258 -3.40877 0 0 CHG=-1
-M  V30 30 C 5.6333 -9.15464 0.0 0
+M  V30 30 F 13.6776 -3.90053 0 0
-M  V30 31 C 6.50308 -9.64824 0.0 0
+M  V30 31 F 12.8258 -2.42524 0 0
-M  V30 32 Ru 6.48118 -5.65053 0.0 0 CHG=2
+M  V30 32 F 11.9741 -2.91701 0 0
-M  V30 33 Cl 7.4972 -6.22553 0.0 0 CHG=-1
+M  V30 33 F 13.6776 -2.91701 0 0
-M  V30 34 C 7.4971 -4.94171 0.0 0 CHG=-1
+M  V30 34 F 12.8258 -4.3923 0 0
-M  V30 35 O 8.93222 -4.50533 0.0 0 CHG=1
+M  V30 35 Cl 10.3323 -4.40054 0 0 CHG=-1
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 1 1 2
+M  V30 1 4 3 1
-M  V30 2 1 2 3
+M  V30 2 4 4 2
-M  V30 3 1 2 4
+M  V30 3 4 1 5
-M  V30 4 1 2 5
+M  V30 4 4 2 3
-M  V30 5 1 2 6
+M  V30 5 4 5 6
-M  V30 6 1 2 7
+M  V30 6 4 6 4
-M  V30 7 4 10 8
+M  V30 7 1 2 7
-M  V30 8 4 11 9
+M  V30 8 4 9 7
-M  V30 9 4 8 12
+M  V30 9 4 10 8
-M  V30 10 4 9 10
+M  V30 10 4 7 11
-M  V30 11 4 12 13
+M  V30 11 4 8 9
-M  V30 12 4 13 11
+M  V30 12 4 11 12
-M  V30 13 1 9 14
+M  V30 13 4 12 10
-M  V30 14 4 16 14
+M  V30 14 4 15 13
-M  V30 15 4 17 15
+M  V30 15 4 16 14
-M  V30 16 4 14 18
+M  V30 16 4 13 17
-M  V30 17 4 15 16
+M  V30 17 4 14 15
-M  V30 18 4 18 19
+M  V30 18 4 17 18
-M  V30 19 4 19 17
+M  V30 19 4 18 16
-M  V30 20 4 22 20
+M  V30 20 1 16 19
-M  V30 21 4 23 21
+M  V30 21 4 21 19
-M  V30 22 4 20 24
+M  V30 22 4 22 20
-M  V30 23 4 21 22
+M  V30 23 4 19 23
-M  V30 24 4 24 25
+M  V30 24 4 20 21
-M  V30 25 4 25 23
+M  V30 25 4 23 24
-M  V30 26 1 23 26
+M  V30 26 4 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 3 26 27
-M  V30 33 10 11 32
+M  V30 33 1 28 29
-M  V30 34 10 32 21
+M  V30 34 1 29 30
-M  V30 35 10 32 28
+M  V30 35 1 29 31
-M  V30 36 10 32 18
+M  V30 36 1 29 32
-M  V30 37 10 32 33
+M  V30 37 1 29 33
-M  V30 38 3 34 35
+M  V30 38 1 29 34
-M  V30 39 10 32 34
+M  V30 39 10 25 35
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|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
+|smiles=F[P-](F)(F)(F)(F)F.[O+]#[C-]~[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.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
 |height=200
 |float=none
-|parent=Molecule:100836
+|parent=Molecule:100856
+|trivialname=
+|synonyms=
+|hasVendors=
 }}

Molecule:100840: Difference between revisions

Revision as of 12:29, 12 January 2024

Molecule is used on following pages

Current site

Topics