Molecule:100758: Difference between revisions

InChI	1S/C15H11N3.C10H8N2.ClH.2F6P.Ir/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;21-7(2,3,4,5)6;/h1-11H;1-8H;1H;;;/q;;;2-1;+3/p-1
InChI-Key	JUQIZMXQMSKSRZ-UHFFFAOYSA-M
SMILES	[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.C1C=C2C3C=CC=CN=3[Ir+3]([Cl-])34(N5C(C6N3=C(C3N4=CC=CC=3)C=CC=6)=CC=CC=5)N2=CC=1

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	[Ir(bpy)(tpy)Cl][PF6]2
Trivialname	n/a
Exact mass	907.024186588
Molecular formula	C25H19ClF12IrN5P2
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Revision as of 14:51, 9 February 2024

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[Ir(bpy)(tpy)Cl][PF6]2

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‎

The molecule template was defined here: Ir(tpy)(bpy)Cl as a Photocatalyst for CO2 Reduction under Visible-Light Irradiation

Molecule is used on following pages

topic

publication

Ir(tpy)(bpy)Cl as a Photocatalyst for CO2 Reduction under Visible-Light Irradiation

investigation

Ir(tpy)(bpy)Cl as a Photocatalyst for CO2 Reduction under Visible-Light Irradiation/Photoreduction of CO2

@@ Line 5: / Line 5: @@
 |moleculeKey=JUQIZMXQMSKSRZ-UHFFFAOYSA-M
 |molOrRxn=
-   -INDIGO-02092414492D
+   -INDIGO-02092414502D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 11: / Line 11: @@
 M  V30 COUNTS 46 51 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 P 12.967 -0.825 0.0 0 CHG=-1
+M  V30 1 P 15.1785 0.672217 0.0 0 CHG=-1
-M  V30 2 F 13.833 -0.325 0.0 0
+M  V30 2 F 15.9593 1.12306 0.0 0
-M  V30 3 F 12.101 -0.325 0.0 0
+M  V30 3 F 14.3976 1.12306 0.0 0
-M  V30 4 F 12.967 -1.825 0.0 0
+M  V30 4 F 15.1785 -0.229465 0.0 0
-M  V30 5 F 13.833 -1.325 0.0 0
+M  V30 5 F 15.9593 0.221376 0.0 0
-M  V30 6 F 12.967 0.175 0.0 0
+M  V30 6 F 15.1785 1.5739 0.0 0
-M  V30 7 F 12.101 -1.325 0.0 0
+M  V30 7 F 14.3976 0.221376 0.0 0
-M  V30 8 P 13.05 -4.05 0.0 0 CHG=-1
+M  V30 8 P 15.2533 -2.23571 0.0 0 CHG=-1
-M  V30 9 F 13.916 -3.55 0.0 0
+M  V30 9 F 16.0342 -1.78487 0.0 0
-M  V30 10 F 12.184 -3.55 0.0 0
+M  V30 10 F 14.4725 -1.78487 0.0 0
-M  V30 11 F 13.05 -5.05 0.0 0
+M  V30 11 F 15.2533 -3.13739 0.0 0
-M  V30 12 F 13.916 -4.55 0.0 0
+M  V30 12 F 16.0342 -2.68655 0.0 0
-M  V30 13 F 13.05 -3.05 0.0 0
+M  V30 13 F 15.2533 -1.33403 0.0 0
-M  V30 14 F 12.184 -4.55 0.0 0
+M  V30 14 F 14.4725 -2.68655 0.0 0
-M  V30 15 C 3.85985 -2.25007 0.0 0
+M  V30 15 C 6.96673 -0.612743 0.0 0
-M  V30 16 C 5.59015 -2.24959 0.0 0
+M  V30 16 C 8.52691 -0.61231 0.0 0
-M  V30 17 C 4.72664 -1.74997 0.0 0
+M  V30 17 C 7.7483 -0.161812 0.0 0
-M  V30 18 N 5.59015 -3.25053 0.0 0
+M  V30 18 N 8.52691 -1.51484 0.0 0
-M  V30 19 C 3.85985 -3.25502 0.0 0
+M  V30 19 C 6.96673 -1.51889 0.0 0
-M  V30 20 C 4.72882 -3.75003 0.0 0
+M  V30 20 C 7.75026 -1.96523 0.0 0
-M  V30 21 C 4.72882 -4.75003 0.0 0
+M  V30 21 C 7.75026 -2.86691 0.0 0
-M  V30 22 C 5.5954 -6.24769 0.0 0
+M  V30 22 C 8.53164 -4.21732 0.0 0
-M  V30 23 N 5.59566 -5.25006 0.0 0
+M  V30 23 N 8.53187 -3.31778 0.0 0
-M  V30 24 C 4.72889 -6.74875 0.0 0
+M  V30 24 C 7.75032 -4.66912 0.0 0
-M  V30 25 C 3.85885 -5.25309 0.0 0
+M  V30 25 C 6.96582 -3.32051 0.0 0
-M  V30 26 C 3.86531 -6.25314 0.0 0
+M  V30 26 C 6.97165 -4.22224 0.0 0
-M  V30 27 C 9.97459 -1.75011 0.0 0
+M  V30 27 C 12.4803 -0.161938 0.0 0
-M  V30 28 C 10.8402 -3.24836 0.0 0
+M  V30 28 C 13.2608 -1.51288 0.0 0
-M  V30 29 C 10.8411 -2.25072 0.0 0
+M  V30 29 C 13.2616 -0.613329 0.0 0
-M  V30 30 C 9.97332 -3.74883 0.0 0
+M  V30 30 C 12.4791 -1.96415 0.0 0
-M  V30 31 C 9.10428 -2.25259 0.0 0
+M  V30 31 C 11.6955 -0.615015 0.0 0
-M  V30 32 N 9.11008 -3.25265 0.0 0
+M  V30 32 N 11.7008 -1.51675 0.0 0
-M  V30 33 C 9.97332 -4.74883 0.0 0
+M  V30 33 C 12.4791 -2.86583 0.0 0
-M  V30 34 C 10.8399 -6.24649 0.0 0
+M  V30 34 C 13.2605 -4.21624 0.0 0
-M  V30 35 C 10.8402 -5.24885 0.0 0
+M  V30 35 C 13.2608 -3.31669 0.0 0
-M  V30 36 C 9.97339 -6.74754 0.0 0
+M  V30 36 C 12.4792 -4.66803 0.0 0
-M  V30 37 N 9.10335 -5.25188 0.0 0
+M  V30 37 N 11.6947 -3.31942 0.0 0
-M  V30 38 C 9.10981 -6.25194 0.0 0
+M  V30 38 C 11.7005 -4.22116 0.0 0
-M  V30 39 C 8.24379 -6.75194 0.0 0
+M  V30 39 C 10.9196 -4.672 0.0 0
-M  V30 40 C 7.38006 -8.25125 0.0 0
+M  V30 40 C 10.1408 -6.0239 0.0 0
-M  V30 41 C 8.24417 -7.75265 0.0 0
+M  V30 41 C 10.92 -5.57432 0.0 0
-M  V30 42 C 6.51288 -7.75136 0.0 0
+M  V30 42 C 9.35892 -5.57316 0.0 0
-M  V30 43 N 7.37314 -6.25005 0.0 0
+M  V30 43 N 10.1346 -4.21945 0.0 0
-M  V30 44 C 6.5103 -6.75567 0.0 0
+M  V30 44 C 9.35659 -4.67536 0.0 0
-M  V30 45 Ir 7.35 -4.25 0.0 0 CHG=3
+M  V30 45 Ir 10.1137 -2.41604 0.0 0 CHG=3
-M  V30 46 Cl 7.325 -2.775 0.0 0 CHG=-1
+M  V30 46 Cl 10.0912 -1.08606 0.0 0 CHG=-1
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 113: / Line 113: @@
 M  V30 END CTAB
 M  END
-|smiles=C1C=C2C3C=CC=CN=3[Ir+3]([Cl-])34(N5C(C6N3=C(C3N4=CC=CC=3)C=CC=6)=CC=CC=5)N2=CC=1.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F
+|smiles=[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.C1C=C2C3C=CC=CN=3[Ir+3]([Cl-])34(N5C(C6N3=C(C3N4=CC=CC=3)C=CC=6)=CC=CC=5)N2=CC=1
 |inchi=1S/C15H11N3.C10H8N2.ClH.2F6P.Ir/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*1-7(2,3,4,5)6;/h1-11H;1-8H;1H;;;/q;;;2*-1;+3/p-1
 |inchikey=JUQIZMXQMSKSRZ-UHFFFAOYSA-M

Molecule:100758: Difference between revisions

Revision as of 14:51, 9 February 2024

Molecule is used on following pages

Current site

Topics