Molecule:100813: Difference between revisions

InChI	1S/C25H37N9.2C10H8N2.Ni.Ru/c1-2-11-29-23(6-1)24-20-22(7-12-30-24)25-21-34(32-31-25)18-5-17-33-16-4-10-27-14-13-26-8-3-9-28-15-19-33;21-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-2,6-7,11-12,20-21,26-28H,3-5,8-10,13-19H2;21-8H;;/q;;;2*+2
InChI-Key	HPPBFNPGQKPNBV-UHFFFAOYSA-N
SMILES	C1C=CC=N2[Ru+2]3(N4C(C5N3=CC=CC=5)=CC=CC=4)3(N4C(C5N3=CC=CC=5)=CC(C3N=NN(CCCN56CCN7CCCN8CCN(CCC5)[Ni+2]678)C=3)=CC=4)N3C(C=12)=CC=CC=3

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	[Ni(cyclam-trzbpy)Ru(bpy)2][PF6]4
Trivialname	n/a
Exact mass	n/a
Molecular formula	n/a
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Revision as of 11:51, 8 February 2024

‎

[Ni(cyclam-trzbpy)Ru(bpy)2][PF6]4

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

publication

investigation

Carbon dioxide reduction via light activation of a ruthenium–Ni(cyclam) complex/Photoreduction of CO2 result

Molecule roles

Investigation type	Catalyst
Photocatalytic CO2 conversion experiments	Photoreduction of CO2 result
Cyclic Voltammetry experiments

@@ Line 5: / Line 5: @@
 |moleculeKey=HPPBFNPGQKPNBV-UHFFFAOYSA-N
 |molOrRxn=
-   -INDIGO-11272318382D
+   -INDIGO-01122314312D
   0  0  0  0  0  0  0  0  0  0 V3000
 M  V30 BEGIN CTAB
-M  V30 COUNTS 87 96 0 0 0
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 M  V30 BEGIN ATOM
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+M  V30 1 C 1.60093 -5.96463 0.0 0
-M  V30 2 C 7.24015 -1.19959 0.0 0
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-M  V30 3 C 6.37664 -0.699967 0.0 0
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-M  V30 4 C 7.24015 -2.20053 0.0 0
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-M  V30 6 N 6.37882 -2.70003 0.0 0
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-M  V30 7 C 8.10618 -2.70053 0.0 0
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-M  V30 8 C 9.83648 -2.69889 0.0 0
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-M  V30 9 C 8.97263 -2.19984 0.0 0
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-M  V30 26 N 4.44015 -5.62459 0.0 0
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-M  V30 27 C 3.57664 -5.12497 0.0 0
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-M  V30 28 C 4.44015 -6.62553 0.0 0
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-M  V30 31 C 3.57664 -4.12497 0.0 0
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-M  V30 32 C 2.71006 -2.62731 0.0 0
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-M  V30 33 C 2.7098 -3.62494 0.0 0
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-M  V30 34 C 3.57657 -2.12625 0.0 0
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+M  V30 36 C 6.86687 -7.97705 0.0 0
-M  V30 37 C 10.7317 -7.0997 0.0 0
+M  V30 37 Ru 4.8643 -5.44321 0.0 0 CHG=2
-M  V30 38 C 11.6452 -6.69299 0.0 0
+M  V30 38 C 8.40197 -8.10113 0.0 0
-M  V30 39 N 12.3144 -7.43613 0.0 0
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-M  V30 40 N 11.8144 -8.30215 0.0 0
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-M  V30 41 N 10.8362 -8.0942 0.0 0
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-M  V30 43 C 13.8967 -8.1406 0.0 0
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-M  V30 44 N 14.8912 -8.03605 0.0 0
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-M  V30 45 C 14.6324 -7.07013 0.0 0
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-M  V30 46 C 14.1841 -8.74316 0.0 0
+M  V30 46 N 12.9415 -7.21282 0.0 0
-M  V30 47 C 15.3395 -6.36302 0.0 0
+M  V30 47 Ni 13.775 -7.775 0.0 0 CHG=2
-M  V30 48 C 16.3054 -6.62184 0.0 0
+M  V30 48 N 14.0338 -6.80907 0.0 0
-M  V30 49 N 16.5642 -7.58777 0.0 0
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-M  V30 50 C 14.4429 -9.70909 0.0 0
+M  V30 50 N 14.641 -8.275 0.0 0
-M  V30 51 C 17.5302 -7.84659 0.0 0
+M  V30 51 C 13.4415 -6.34679 0.0 0
-M  V30 52 C 17.789 -8.81251 0.0 0
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-M  V30 53 N 17.0819 -9.51962 0.0 0
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-M  V30 54 N 15.4088 -9.96791 0.0 0
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-M  V30 55 C 15.6677 -10.9338 0.0 0
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-M  V30 56 C 17.3407 -10.4855 0.0 0
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-M  V30 57 C 16.6336 -11.1927 0.0 0
+M  V30 57 C 14.141 -10.141 0.0 0
-M  V30 58 Ru 6.35372 -4.55402 0.0 0 CHG=2
+M  V30 58 C 13.275 -9.64103 0.0 0
-M  V30 59 Ni 15.9572 -8.68605 0.0 0 CHG=2
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-M  V30 60 P 11.967 -4.35 0.0 0 CHG=-1
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-M  V30 61 F 12.833 -3.85 0.0 0
-M  V30 62 F 11.101 -3.85 0.0 0
-M  V30 63 F 11.967 -5.35 0.0 0
-M  V30 64 F 12.833 -4.85 0.0 0
-M  V30 65 F 11.967 -3.35 0.0 0
-M  V30 66 F 11.101 -4.85 0.0 0
-M  V30 67 P 3.75 -9.2 0.0 0 CHG=-1
-M  V30 68 F 4.61603 -8.7 0.0 0
-M  V30 69 F 2.88397 -8.7 0.0 0
-M  V30 70 F 3.75 -10.2 0.0 0
-M  V30 71 F 4.61603 -9.7 0.0 0
-M  V30 72 F 3.75 -8.2 0.0 0
-M  V30 73 F 2.88397 -9.7 0.0 0
-M  V30 74 P 18.0 -5.925 0.0 0 CHG=-1
-M  V30 75 F 18.866 -5.425 0.0 0
-M  V30 76 F 17.134 -5.425 0.0 0
-M  V30 77 F 18.0 -6.925 0.0 0
-M  V30 78 F 18.866 -6.425 0.0 0
-M  V30 79 F 18.0 -4.925 0.0 0
-M  V30 80 F 17.134 -6.425 0.0 0
-M  V30 81 P 13.6 -11.625 0.0 0 CHG=-1
-M  V30 82 F 14.466 -11.125 0.0 0
-M  V30 83 F 12.734 -11.125 0.0 0
-M  V30 84 F 13.6 -12.625 0.0 0
-M  V30 85 F 14.466 -12.125 0.0 0
-M  V30 86 F 13.6 -10.625 0.0 0
-M  V30 87 F 12.734 -12.125 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 106: / Line 79: @@
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-M  V30 93 1 81 84
-M  V30 94 1 81 85
-M  V30 95 1 81 86
-M  V30 96 1 81 87
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=C1C=N2[Ru+2]3(N4C(C5N3=CC=CC=5)=CC=CC=4)3(N4=CC=CC=C4C4=CC(C5N=NN(CCN67[Ni+2]89N(CCCN8CCN9CCC6)CC7)C=5)=CC=N43)N3=CC=CC=C3C2=CC=1.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F
+|smiles=C1C=CC=N2[Ru+2]3(N4C(C5N3=CC=CC=5)=CC=CC=4)3(N4C(C5N3=CC=CC=5)=CC(C3N=NN(CCCN56CCN7CCCN8CCN(CCC5)[Ni+2]678)C=3)=CC=4)N3C(C=12)=CC=CC=3
-|inchi=1S/C24H35N9.2C10H8N2.4F6P.Ni.Ru/c1-2-10-28-22(5-1)23-19-21(6-11-29-23)24-20-33(31-30-24)18-17-32-15-4-9-26-13-12-25-7-3-8-27-14-16-32;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-7(2,3,4,5)6;;/h1-2,5-6,10-11,19-20,25-27H,3-4,7-9,12-18H2;2*1-8H;;;;;;/q;;;4*-1;2*+2
+|inchi=1S/C25H37N9.2C10H8N2.Ni.Ru/c1-2-11-29-23(6-1)24-20-22(7-12-30-24)25-21-34(32-31-25)18-5-17-33-16-4-10-27-14-13-26-8-3-9-28-15-19-33;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-2,6-7,11-12,20-21,26-28H,3-5,8-10,13-19H2;2*1-8H;;/q;;;2*+2
 |inchikey=HPPBFNPGQKPNBV-UHFFFAOYSA-N
 |width=300px

Molecule:100813: Difference between revisions

Revision as of 11:51, 8 February 2024

Molecule is used on following pages

Molecule roles

Current site

Topics