Molecule:100836: Difference between revisions

InChI	1S/2C10H8N2.CO.2F6P.H2O.Ru/c21-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;21-7(2,3,4,5)6;;/h21-8H;;;;1H2;/q;;;2-1;;+2
InChI-Key	CPFZZAZNEQBLAC-UHFFFAOYSA-N
SMILES	F[P-](F)(F)(F)(F)F.C1C=CN2[Ru+2]([C-]#[O+])(O([H])[H])(N3=CC=CC=C3C=2C=1)1N2C=CC=CC=2C2C=CC=CN=21.F[P-](F)(F)(F)(F)F

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	n/a
Trivialname	n/a
Exact mass	749.975687016
Molecular formula	C21H18F12N4O2P2Ru
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Revision as of 16:36, 15 February 2024

‎

[Ru(bpy)(H2O)(CO)][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 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 8: / Line 8: @@
 |moleculeKey=CPFZZAZNEQBLAC-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-02152416342D
+   -INDIGO-02152416352D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 14: / Line 14: @@
 M  V30 COUNTS 44 47 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 5.62242 -3.98512 0.0 0
+M  V30 1 F 9.967 -4.475 0.0 0
-M  V30 2 C 7.0939 -3.98472 0.0 0
+M  V30 2 P 10.833 -3.975 0.0 0 CHG=-1
-M  V30 3 C 6.35956 -3.55983 0.0 0
+M  V30 3 F 11.699 -4.475 0.0 0
-M  V30 4 N 7.0939 -4.83594 0.0 0
+M  V30 4 F 10.833 -2.975 0.0 0
-M  V30 5 C 5.62242 -4.83976 0.0 0
+M  V30 5 F 9.967 -3.475 0.0 0
-M  V30 6 C 6.36141 -5.26073 0.0 0
+M  V30 6 F 11.699 -3.475 0.0 0
-M  V30 7 C 7.83059 -3.55985 0.0 0
+M  V30 7 F 10.833 -4.975 0.0 0
-M  V30 8 C 8.56572 -2.28515 0.0 0
+M  V30 8 C 3.00985 -3.67507 0.0 0
-M  V30 9 C 7.83066 -2.70882 0.0 0
+M  V30 9 C 4.74015 -3.67459 0.0 0
-M  V30 10 C 9.30303 -2.7106 0.0 0
+M  V30 10 C 3.87664 -3.17497 0.0 0
-M  V30 11 N 8.57081 -3.98701 0.0 0
+M  V30 11 N 4.74015 -4.67553 0.0 0
-M  V30 12 C 9.3048 -3.55737 0.0 0
+M  V30 12 C 3.00985 -4.68002 0.0 0
-M  V30 13 C 5.64368 -6.51514 0.0 0
+M  V30 13 C 3.87882 -5.17503 0.0 0
-M  V30 14 N 7.11516 -6.51473 0.0 0
+M  V30 14 C 5.60641 -3.17499 0.0 0
-M  V30 15 C 6.38081 -6.08984 0.0 0
+M  V30 15 C 6.47083 -1.67609 0.0 0
-M  V30 16 C 7.11516 -7.36595 0.0 0
+M  V30 16 C 5.60649 -2.17428 0.0 0
-M  V30 17 C 5.64368 -7.36977 0.0 0
+M  V30 17 C 7.33778 -2.17638 0.0 0
-M  V30 18 C 6.38267 -7.79074 0.0 0
+M  V30 18 N 6.47682 -3.67729 0.0 0
-M  V30 19 C 7.85206 -7.79046 0.0 0
+M  V30 19 C 7.3399 -3.17207 0.0 0
-M  V30 20 C 9.32359 -7.78764 0.0 0
+M  V30 20 C 3.03485 -6.65007 0.0 0
-M  V30 21 N 8.5885 -7.36395 0.0 0
+M  V30 21 N 4.76515 -6.64959 0.0 0
-M  V30 22 C 9.32497 -8.63887 0.0 0
+M  V30 22 C 3.90164 -6.14997 0.0 0
-M  V30 23 C 7.85346 -8.64508 0.0 0
+M  V30 23 C 4.76515 -7.65053 0.0 0
-M  V30 24 C 8.59314 -9.06485 0.0 0
+M  V30 24 C 3.03485 -7.65502 0.0 0
-M  V30 25 Ru 8.56415 -5.60948 0.0 0 CHG=2
+M  V30 25 C 3.90382 -8.15003 0.0 0
-M  V30 26 O 9.93229 -4.65054 0.0 0
+M  V30 26 C 5.63166 -8.1497 0.0 0
-M  V30 27 C 9.98149 -6.32253 0.0 0 CHG=-1
+M  V30 27 C 7.36196 -8.14639 0.0 0
-M  V30 28 O 10.8332 -6.8143 0.0 0 CHG=1
+M  V30 28 N 6.49763 -7.64818 0.0 0
-M  V30 29 H 10.8388 -5.07273 0.0 0
+M  V30 29 C 7.36359 -9.14733 0.0 0
-M  V30 30 H 9.84466 -3.65439 0.0 0
+M  V30 30 C 5.6333 -9.15464 0.0 0
-M  V30 31 F 11.5741 -4.15053 0.0 0
+M  V30 31 C 6.50308 -9.64824 0.0 0
-M  V30 32 P 12.4258 -3.65877 0.0 0 CHG=-1
+M  V30 32 Ru 6.48118 -5.65053 0.0 0 CHG=2
-M  V30 33 F 13.2776 -4.15053 0.0 0
+M  V30 33 O 8.0721 -4.66671 0.0 0
-M  V30 34 F 12.4258 -2.67524 0.0 0
+M  V30 34 C 8.0722 -6.50053 0.0 0 CHG=-1
-M  V30 35 F 11.5741 -3.16701 0.0 0
+M  V30 35 H 8.95285 -5.1403 0.0 0
-M  V30 36 F 13.2776 -3.16701 0.0 0
+M  V30 36 H 8.04187 -3.66717 0.0 0
-M  V30 37 F 12.4258 -4.6423 0.0 0
+M  V30 37 O 8.93823 -7.00053 0.0 0 CHG=1
-M  V30 38 F 12.709 -7.35 0.0 0
+M  V30 38 F 10.759 -7.25001 0.0 0
-M  V30 39 P 13.5749 -6.85 0.0 0 CHG=-1
+M  V30 39 P 11.625 -6.75 0.0 0 CHG=-1
-M  V30 40 F 14.441 -7.35 0.0 0
+M  V30 40 F 12.491 -7.25001 0.0 0
-M  V30 41 F 13.5749 -5.84999 0.0 0
+M  V30 41 F 11.625 -5.74999 0.0 0
-M  V30 42 F 12.709 -6.35 0.0 0
+M  V30 42 F 10.759 -6.24999 0.0 0
-M  V30 43 F 14.441 -6.35 0.0 0
+M  V30 43 F 12.491 -6.24999 0.0 0
-M  V30 44 F 13.5749 -7.85001 0.0 0
+M  V30 44 F 11.625 -7.75001 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 2 3 1
+M  V30 1 1 1 2
-M  V30 2 2 4 2
+M  V30 2 1 2 3
-M  V30 3 1 1 5
+M  V30 3 1 2 4
-M  V30 4 1 2 3
+M  V30 4 1 2 5
-M  V30 5 2 5 6
+M  V30 5 1 2 6
-M  V30 6 1 6 4
+M  V30 6 1 2 7
-M  V30 7 1 2 7
+M  V30 7 2 10 8
-M  V30 8 2 9 7
+M  V30 8 2 11 9
-M  V30 9 2 10 8
+M  V30 9 1 8 12
-M  V30 10 1 7 11
+M  V30 10 1 9 10
-M  V30 11 1 8 9
+M  V30 11 2 12 13
-M  V30 12 2 11 12
+M  V30 12 1 13 11
-M  V30 13 1 12 10
+M  V30 13 1 9 14
-M  V30 14 2 15 13
+M  V30 14 2 16 14
-M  V30 15 2 16 14
+M  V30 15 2 17 15
-M  V30 16 1 13 17
+M  V30 16 1 14 18
-M  V30 17 1 14 15
+M  V30 17 1 15 16
-M  V30 18 2 17 18
+M  V30 18 2 18 19
-M  V30 19 1 18 16
+M  V30 19 1 19 17
-M  V30 20 1 16 19
+M  V30 20 2 22 20
-M  V30 21 2 21 19
+M  V30 21 2 23 21
-M  V30 22 2 22 20
+M  V30 22 1 20 24
-M  V30 23 1 19 23
+M  V30 23 1 21 22
-M  V30 24 1 20 21
+M  V30 24 2 24 25
-M  V30 25 2 23 24
+M  V30 25 1 25 23
-M  V30 26 1 24 22
+M  V30 26 1 23 26
-M  V30 27 10 11 25
+M  V30 27 2 28 26
-M  V30 28 10 25 21
+M  V30 28 2 29 27
-M  V30 29 10 25 14
+M  V30 29 1 26 30
-M  V30 30 10 25 4
+M  V30 30 1 27 28
-M  V30 31 10 25 26
+M  V30 31 2 30 31
-M  V30 32 10 25 27
+M  V30 32 1 31 29
-M  V30 33 3 27 28
+M  V30 33 10 11 32
-M  V30 34 1 26 29
+M  V30 34 10 32 21
-M  V30 35 1 26 30
+M  V30 35 10 32 28
-M  V30 36 1 31 32
+M  V30 36 10 32 18
-M  V30 37 1 32 33
+M  V30 37 10 32 33
-M  V30 38 1 32 34
+M  V30 38 10 32 34
-M  V30 39 1 32 35
+M  V30 39 1 33 35
-M  V30 40 1 32 36
+M  V30 40 1 33 36
-M  V30 41 1 32 37
+M  V30 41 3 34 37
 M  V30 42 1 38 39
 M  V30 43 1 39 40
@@ Line 110: / Line 110: @@
 M  V30 END CTAB
 M  END
-|smiles=C1C=CN2[Ru+2]([C-]#[O+])(O([H])[H])3(N4C=CC=CC=4C4C=CC=CN=43)N3=CC=CC=C3C=2C=1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
+|smiles=F[P-](F)(F)(F)(F)F.C1C=CN2[Ru+2]([C-]#[O+])(O([H])[H])(N3=CC=CC=C3C=2C=1)1N2C=CC=CC=2C2C=CC=CN=21.F[P-](F)(F)(F)(F)F
 |inchi=1S/2C10H8N2.CO.2F6P.H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2;2*1-7(2,3,4,5)6;;/h2*1-8H;;;;1H2;/q;;;2*-1;;+2
 |inchikey=CPFZZAZNEQBLAC-UHFFFAOYSA-N

Molecule:100836: Difference between revisions

Revision as of 16:36, 15 February 2024

Molecule is used on following pages

Current site

Topics