Molecule:100777: Difference between revisions

InChI	1S/3C12H8N2.2F6P.Ru/c31-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;21-7(2,3,4,5)6;/h31-8H;;;/q;;;2-1;+2
InChI-Key	YRYUXGTVQZIGNQ-UHFFFAOYSA-N
SMILES	C12C=CC=N3[Ru+2]4(N5=CC=CC6C5=C5N4=CC=CC5=CC=6)4(N5=CC=CC6C5=C5N4=CC=CC5=CC=6)N4=CC=CC(C4=C13)=CC=2.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F

Properties
CID	15198714
CAS	60804-75-3
IUPAC-Name	1,10-phenanthroline;ruthenium(2+);dihexafluorophosphate
Abbreviation	[Ru(phen)3][PF6]2
Trivialname	1,10-phenanthroline;ruthenium(2+);dihexafluorophosphate
Exact mass	932.038947
Molecular formula	C36H24F12N6P2Ru
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	1,10-phenanthroline;ruthenium(2+);dihexafluorophosphate, T3208

Latest revision as of 16:07, 23 May 2024

‎

[Ru(phen)3][PF6]2

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

Homogeneous photocatalytic CO2 conversion

publication

Highly efficient and selective visible-light driven CO2-to-CO conversion by a Co-based cryptate in H2O-CH3CN solution
A Dinuclear Cobalt Cryptate as a Homogeneous Photocatalyst for Highly Selective and Efficient Visible-Light Driven CO2 Reduction to CO in CH3CN-H2O Solution
A Cu(I) Co(II) cryptate for the visible light-driven reduction of CO2
Photocatalytic Carbon Dioxide Reduction Using Nickel Complexes as Catalysts

investigation

@@ Line 1: / Line 1: @@
 {{Molecule
 |abbrev=[Ru(phen)3][PF6]2
-|trivialname=tris(1,10-phenanthroline)ruthenium(II) bis(hexafluorophosphate)
+|trivialname=1,10-phenanthroline;ruthenium(2+);dihexafluorophosphate
 |cid=15198714
 |iupacName=1,10-phenanthroline;ruthenium(2+);dihexafluorophosphate
 |molecularMass=932.038947
 |molecularFormula=C<sub>36</sub>H<sub>24</sub>F<sub>12</sub>N<sub>6</sub>P<sub>2</sub>Ru
-|synonyms=110-phenanthroline;ruthenium(2+);dihexafluorophosphate,t3208
+|synonyms=1,10-phenanthroline;ruthenium(2+);dihexafluorophosphate$T3208
 |cas=60804-75-3
 |hasVendors=true
 |moleculeKey=YRYUXGTVQZIGNQ-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-02282410512D
+   -INDIGO-11272317572D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 17: / Line 17: @@
 M  V30 COUNTS 57 66 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 4.91471 -4.00746 0.0 0
+M  V30 1 C 7.74169 -2.0161 0.0 0
-M  V30 2 C 6.4899 -4.00702 0.0 0
+M  V30 2 C 9.23993 -1.15053 0.0 0
-M  V30 3 C 5.7038 -3.55219 0.0 0
+M  V30 3 C 8.2423 -1.1496 0.0 0
-M  V30 4 N 6.4899 -4.91823 0.0 0
+M  V30 4 C 9.74041 -2.01737 0.0 0
-M  V30 5 C 4.91471 -4.92232 0.0 0
+M  V30 5 C 8.24416 -2.88641 0.0 0
-M  V30 6 C 5.70579 -5.37295 0.0 0
+M  V30 6 C 9.24422 -2.88061 0.0 0
-M  V30 7 C 5.70522 -2.64677 0.0 0
+M  V30 7 C 10.733 -2.0161 0.0 0
-M  V30 8 C 6.49223 -2.19307 0.0 0
+M  V30 8 C 11.2329 -2.87748 0.0 0
-M  V30 9 C 7.28005 -3.5515 0.0 0
+M  V30 9 N 9.74609 -3.74544 0.0 0
-M  V30 10 C 7.27538 -2.64389 0.0 0
+M  V30 10 C 10.7411 -3.73748 0.0 0
-M  V30 11 C 8.05694 -2.18795 0.0 0
+M  V30 11 N 7.74268 -3.75372 0.0 0
-M  V30 12 C 8.8456 -2.63759 0.0 0
+M  V30 12 C 6.7375 -3.75401 0.0 0
-M  V30 13 N 8.07187 -4.00294 0.0 0
+M  V30 13 C 6.7325 -2.01639 0.0 0
-M  V30 14 C 8.85225 -3.54062 0.0 0
+M  V30 14 C 6.23564 -2.88918 0.0 0
-M  V30 15 C 11.4788 -3.9223 0.0 0
+M  V30 15 C 6.29324 -8.13235 0.0 0
-M  V30 16 C 10.6899 -5.2897 0.0 0
+M  V30 16 C 4.794 -7.26733 0.0 0
-M  V30 17 C 11.4785 -4.83532 0.0 0
+M  V30 17 C 5.29219 -8.13206 0.0 0
-M  V30 18 N 9.89896 -4.83309 0.0 0
+M  V30 18 C 5.29465 -6.40019 0.0 0
-M  V30 19 C 10.6848 -3.46385 0.0 0
+M  V30 19 C 6.79588 -7.26175 0.0 0
-M  V30 20 C 9.89723 -3.92465 0.0 0
+M  V30 20 C 6.29067 -6.39827 0.0 0
-M  V30 21 C 12.2637 -5.29028 0.0 0
+M  V30 21 C 4.79707 -5.5409 0.0 0
-M  V30 22 C 12.2631 -6.2007 0.0 0
+M  V30 22 C 5.29328 -4.67702 0.0 0
-M  V30 23 C 10.6892 -6.20376 0.0 0
+M  V30 23 N 6.78887 -5.53094 0.0 0
-M  V30 24 C 11.4793 -6.65453 0.0 0
+M  V30 24 C 6.28429 -4.67292 0.0 0
-M  V30 25 C 11.4834 -7.56135 0.0 0
+M  V30 25 N 7.79808 -7.26239 0.0 0
-M  V30 26 C 10.698 -8.02056 0.0 0
+M  V30 26 C 8.30108 -8.13305 0.0 0
-M  V30 27 N 9.90069 -6.66481 0.0 0
+M  V30 27 C 6.79826 -9.00649 0.0 0
-M  V30 28 C 9.91089 -7.5738 0.0 0
+M  V30 28 C 7.80288 -9.00038 0.0 0
-M  V30 29 C 8.11624 -9.51205 0.0 0
+M  V30 29 C 12.4406 -6.42837 0.0 0
-M  V30 30 C 7.32651 -8.14512 0.0 0
+M  V30 30 C 12.4411 -8.15926 0.0 0
-M  V30 31 C 7.32567 -9.05534 0.0 0
+M  V30 31 C 12.9409 -7.29545 0.0 0
-M  V30 32 N 8.1174 -7.6885 0.0 0
+M  V30 32 C 11.4398 -8.15926 0.0 0
-M  V30 33 C 8.91029 -9.05364 0.0 0
+M  V30 33 C 11.4353 -6.42837 0.0 0
-M  V30 34 C 8.905 -8.14121 0.0 0
+M  V30 34 C 10.9402 -7.29763 0.0 0
-M  V30 35 C 6.53911 -9.50777 0.0 0
+M  V30 35 C 10.9444 -9.01982 0.0 0
-M  V30 36 C 5.75095 -9.05209 0.0 0
+M  V30 36 C 9.9482 -9.02202 0.0 0
-M  V30 37 C 6.5352 -7.68758 0.0 0
+M  V30 37 N 9.93992 -7.29985 0.0 0
-M  V30 38 C 5.74979 -8.14645 0.0 0
+M  V30 38 C 9.44915 -8.16583 0.0 0
-M  V30 39 C 4.96242 -7.69657 0.0 0
+M  V30 39 N 10.9348 -5.56012 0.0 0
-M  V30 40 C 4.95746 -6.78674 0.0 0
+M  V30 40 C 11.4373 -4.68917 0.0 0
-M  V30 41 N 6.53024 -6.77411 0.0 0
+M  V30 41 C 12.9451 -5.55394 0.0 0
-M  V30 42 C 5.73792 -6.32846 0.0 0
+M  V30 42 C 12.4375 -4.68696 0.0 0
-M  V30 43 Ru 8.07486 -5.78307 0.0 0 CHG=2
+M  V30 43 Ru 8.79268 -5.51974 0.0 0 CHG=2
-M  V30 44 P 14.3889 -3.14255 0.0 0 CHG=-1
+M  V30 44 P 13.167 -3.025 0.0 0 CHG=-1
-M  V30 45 F 15.1773 -2.68737 0.0 0
+M  V30 45 F 14.033 -2.525 0.0 0
-M  V30 46 F 13.6006 -2.68737 0.0 0
+M  V30 46 F 12.301 -2.525 0.0 0
-M  V30 47 F 14.3889 -4.05291 0.0 0
+M  V30 47 F 13.167 -4.025 0.0 0
-M  V30 48 F 15.1773 -3.59773 0.0 0
+M  V30 48 F 14.033 -3.525 0.0 0
-M  V30 49 F 14.3889 -2.23219 0.0 0
+M  V30 49 F 13.167 -2.025 0.0 0
-M  V30 50 F 13.6006 -3.59773 0.0 0
+M  V30 50 F 12.301 -3.525 0.0 0
-M  V30 51 P 14.8969 -5.87362 0.0 0 CHG=-1
+M  V30 51 P 4.5 -3.0 0.0 0 CHG=-1
-M  V30 52 F 15.6853 -5.41845 0.0 0
+M  V30 52 F 5.36603 -2.5 0.0 0
-M  V30 53 F 14.1085 -5.41845 0.0 0
+M  V30 53 F 3.63397 -2.5 0.0 0
-M  V30 54 F 14.8969 -6.78398 0.0 0
+M  V30 54 F 4.5 -4.0 0.0 0
-M  V30 55 F 15.6853 -6.3288 0.0 0
+M  V30 55 F 5.36603 -3.5 0.0 0
-M  V30 56 F 14.8969 -4.96327 0.0 0
+M  V30 56 F 4.5 -2.0 0.0 0
-M  V30 57 F 14.1085 -6.3288 0.0 0
+M  V30 57 F 3.63397 -3.5 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 1 3 1
+M  V30 1 2 3 1
-M  V30 2 1 4 2
+M  V30 2 2 4 2
-M  V30 3 2 1 5
+M  V30 3 1 1 5
-M  V30 4 2 2 3
+M  V30 4 1 2 3
-M  V30 5 1 5 6
+M  V30 5 2 5 6
-M  V30 6 2 6 4
+M  V30 6 1 6 4
 M  V30 7 2 8 7
-M  V30 8 1 2 9
+M  V30 8 1 6 9
-M  V30 9 1 7 3
+M  V30 9 1 7 4
 M  V30 10 2 9 10
 M  V30 11 1 10 8
 M  V30 12 2 12 11
-M  V30 13 1 9 13
+M  V30 13 1 1 13
-M  V30 14 1 11 10
+M  V30 14 1 11 5
 M  V30 15 2 13 14
 M  V30 16 1 14 12
-M  V30 17 1 17 15
+M  V30 17 2 17 15
-M  V30 18 1 18 16
+M  V30 18 2 18 16
-M  V30 19 2 15 19
+M  V30 19 1 15 19
-M  V30 20 2 16 17
+M  V30 20 1 16 17
-M  V30 21 1 19 20
+M  V30 21 2 19 20
-M  V30 22 2 20 18
+M  V30 22 1 20 18
 M  V30 23 2 22 21
-M  V30 24 1 16 23
+M  V30 24 1 20 23
-M  V30 25 1 21 17
+M  V30 25 1 21 18
 M  V30 26 2 23 24
 M  V30 27 1 24 22
 M  V30 28 2 26 25
-M  V30 29 1 23 27
+M  V30 29 1 15 27
-M  V30 30 1 25 24
+M  V30 30 1 25 19
 M  V30 31 2 27 28
 M  V30 32 1 28 26
-M  V30 33 1 31 29
+M  V30 33 2 31 29
-M  V30 34 1 32 30
+M  V30 34 2 32 30
-M  V30 35 2 29 33
+M  V30 35 1 29 33
-M  V30 36 2 30 31
+M  V30 36 1 30 31
-M  V30 37 1 33 34
+M  V30 37 2 33 34
-M  V30 38 2 34 32
+M  V30 38 1 34 32
 M  V30 39 2 36 35
-M  V30 40 1 30 37
+M  V30 40 1 34 37
-M  V30 41 1 35 31
+M  V30 41 1 35 32
 M  V30 42 2 37 38
 M  V30 43 1 38 36
 M  V30 44 2 40 39
-M  V30 45 1 37 41
+M  V30 45 1 29 41
-M  V30 46 1 39 38
+M  V30 46 1 39 33
 M  V30 47 2 41 42
 M  V30 48 1 42 40
-M  V30 49 10 4 43
+M  V30 49 10 11 43
-M  V30 50 10 43 13
+M  V30 50 10 43 9
-M  V30 51 10 43 18
+M  V30 51 10 39 43
-M  V30 52 10 43 27
+M  V30 52 10 43 37
-M  V30 53 10 43 32
+M  V30 53 10 25 43
-M  V30 54 10 43 41
+M  V30 54 10 43 23
 M  V30 55 1 44 45
 M  V30 56 1 44 46
@@ Line 145: / Line 145: @@
 M  V30 END CTAB
 M  END
-|smiles=C1=CC=N2[Ru+2]3(N4=CC=CC5C=CC6=C(C=54)N3=CC=C6)3(N4=CC=CC5C=CC6=C(C=54)N3=CC=C6)N3=CC=CC4C=CC1=C2C=43.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F
+|smiles=C12C=CC=N3[Ru+2]4(N5=CC=CC6C5=C5N4=CC=CC5=CC=6)4(N5=CC=CC6C5=C5N4=CC=CC5=CC=6)N4=CC=CC(C4=C13)=CC=2.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F
 |inchi=1S/3C12H8N2.2F6P.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h3*1-8H;;;/q;;;2*-1;+2
 |inchikey=YRYUXGTVQZIGNQ-UHFFFAOYSA-N

Molecule:100777: Difference between revisions

Latest revision as of 16:07, 23 May 2024

Molecule is used on following pages

Current site

Topics