Molecule:100838: Difference between revisions

InChI	1S/2C10H8N2.CO.F6P.Ru.H/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;;;;/q;;;-1;+2;-1
InChI-Key	HJTHNVDYVJWKQG-UHFFFAOYSA-N
SMILES	C1C=CN2[Ru+2]([C-]#[O+])([H-])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)2HCO][PF6]
Trivialname	n/a
Exact mass	590.024416478
Molecular formula	C21H19F6N4OPRu
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)2HCO][PF6]

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

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)2HCO][PF6]
-|abbrev=
+|molecularFormula=C<sub>21</sub>H<sub>19</sub>F<sub>6</sub>N<sub>4</sub>OPRu
-|molecularFormula=C<sub>21</sub>H<sub>20</sub>F<sub>6</sub>N<sub>4</sub>OPRu+
+|molecularMass=590.024416478
-|molecularMass=591.03169293009
+|moleculeKey=HJTHNVDYVJWKQG-UHFFFAOYSA-N
-|synonyms=
-|hasVendors=
-|moleculeKey=VMCGGCZYENPHFX-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 34 38 0 0 0
+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 4.57242 -3.91012 0.0 0
-M  V30 2 P 9.633 -5.55 0 0 CHG=-1
+M  V30 2 C 6.0439 -3.90972 0.0 0
-M  V30 3 F 10.499 -6.05 0 0
+M  V30 3 C 5.30956 -3.48483 0.0 0
-M  V30 4 F 9.633 -4.55 0 0
+M  V30 4 N 6.0439 -4.76094 0.0 0
-M  V30 5 F 8.767 -5.05 0 0
+M  V30 5 C 4.57242 -4.76476 0.0 0
-M  V30 6 F 10.499 -5.05 0 0
+M  V30 6 C 5.31141 -5.18573 0.0 0
-M  V30 7 F 9.633 -6.55 0 0
+M  V30 7 C 6.78059 -3.48485 0.0 0
-M  V30 8 C 3.00985 -3.67507 0 0
+M  V30 8 C 7.51572 -2.21015 0.0 0
-M  V30 9 C 4.74015 -3.67459 0 0
+M  V30 9 C 6.78066 -2.63382 0.0 0
-M  V30 10 C 3.87664 -3.17497 0 0
+M  V30 10 C 8.25303 -2.6356 0.0 0
-M  V30 11 N 4.74015 -4.67553 0 0
+M  V30 11 N 7.52081 -3.91201 0.0 0
-M  V30 12 C 3.00985 -4.68002 0 0
+M  V30 12 C 8.2548 -3.48237 0.0 0
-M  V30 13 C 3.87882 -5.17503 0 0
+M  V30 13 C 4.59368 -6.44014 0.0 0
-M  V30 14 C 5.60641 -3.17499 0 0
+M  V30 14 N 6.06516 -6.43973 0.0 0
-M  V30 15 C 6.47083 -1.67609 0 0
+M  V30 15 C 5.33081 -6.01484 0.0 0
-M  V30 16 C 5.60649 -2.17428 0 0
+M  V30 16 C 6.06516 -7.29095 0.0 0
-M  V30 17 C 7.33778 -2.17638 0 0
+M  V30 17 C 4.59368 -7.29477 0.0 0
-M  V30 18 N 6.47682 -3.67729 0 0
+M  V30 18 C 5.33267 -7.71574 0.0 0
-M  V30 19 C 7.3399 -3.17207 0 0
+M  V30 19 C 6.80206 -7.71546 0.0 0
-M  V30 20 C 3.03485 -6.65007 0 0
+M  V30 20 C 8.27359 -7.71264 0.0 0
-M  V30 21 N 4.76515 -6.64959 0 0
+M  V30 21 N 7.5385 -7.28895 0.0 0
-M  V30 22 C 3.90164 -6.14997 0 0
+M  V30 22 C 8.27497 -8.56387 0.0 0
-M  V30 23 C 4.76515 -7.65053 0 0
+M  V30 23 C 6.80346 -8.57008 0.0 0
-M  V30 24 C 3.03485 -7.65502 0 0
+M  V30 24 C 7.54314 -8.98985 0.0 0
-M  V30 25 C 3.90382 -8.15003 0 0
+M  V30 25 Ru 7.51415 -5.53448 0.0 0 CHG=2
-M  V30 26 C 5.63166 -8.1497 0 0
+M  V30 26 H 8.88229 -4.57554 0.0 0 CHG=-1
-M  V30 27 C 7.36196 -8.14639 0 0
+M  V30 27 C 8.93149 -6.24753 0.0 0 CHG=-1
-M  V30 28 N 6.49763 -7.64818 0 0
+M  V30 28 O 9.78318 -6.7393 0.0 0 CHG=1
-M  V30 29 C 7.36359 -9.14733 0 0
+M  V30 29 F 10.5241 -4.07553 0.0 0
-M  V30 30 C 5.6333 -9.15464 0 0
+M  V30 30 P 11.3758 -3.58377 0.0 0 CHG=-1
-M  V30 31 C 6.50308 -9.64824 0 0
+M  V30 31 F 12.2276 -4.07553 0.0 0
-M  V30 32 Ru 6.48118 -5.65053 0 0 CHG=2
+M  V30 32 F 11.3758 -2.60024 0.0 0
-M  V30 33 C 7.4972 -6.22553 0 0
+M  V30 33 F 10.5241 -3.09201 0.0 0
-M  V30 34 O 7.80133 -7.40185 0 0
+M  V30 34 F 12.2276 -3.09201 0.0 0
+M  V30 35 F 11.3758 -4.5673 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 1 33 34
+M  V30 37 1 30 33
-M  V30 38 10 32 33
+M  V30 38 1 30 34
+M  V30 39 1 30 35
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=F[P-](F)(F)(F)(F)F.OC~[Ru+2]12(~n3ccccc3-c3ccccn~13)~n1ccccc1-c1ccccn~21
+|smiles=C1C=CN2[Ru+2]([C-]#[O+])([H-])3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.F[P-](F)(F)(F)(F)F
-|inchi=InChI=1S/2C10H8N2.CH4O.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;;/q;;;-1;+2
+|inchi=1S/2C10H8N2.CO.F6P.Ru.H/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;;;;/q;;;-1;+2;-1
-|inchikey=VMCGGCZYENPHFX-UHFFFAOYSA-N
+|inchikey=HJTHNVDYVJWKQG-UHFFFAOYSA-N
-|width=200
+|width=300px
-|height=200
+|height=200px
 |float=none
-|parent=Molecule:100836
+|parent=
+|trivialname=
+|synonyms=
+|hasVendors=
 }}

Molecule:100838: Difference between revisions

Latest revision as of 10:13, 28 June 2024

Molecule is used on following pages

Current site

Topics