Molecule:100663: Difference between revisions

InChI	1S/C12H9N3.2C5H5NS.Ni/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;27-5-3-1-2-4-6-5;/h1-8H,(H,14,15);21-4H,(H,6,7);/q;;;+2/p-2
InChI-Key	CLQAFMRCKIGWOF-UHFFFAOYSA-L
SMILES	C1C=CC=N2[Ni+2]3([S-]C4N3=CC=CC=4)3([S-]C4=CC=CC=N43)N3=C(NC4C=CC=CC=43)C=12

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	Ni(pbi)(pyS)2
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

Latest revision as of 11:52, 8 February 2024

‎

Ni(pbi)(pyS)2

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

Visible-Light Photocatalytic Conversion of Carbon Dioxide by Ni(II) Complexes with N4S2 Coordination: Highly Efficient and Selective Production of Formate
Photocatalytic Carbon Dioxide Reduction Using Nickel Complexes as Catalysts

investigation

Visible-Light Photocatalytic Conversion of Carbon Dioxide by Ni(II) Complexes with N4S2 Coordination: Highly Efficient and Selective Production of Formate/Table 1

@@ Line 1: / Line 1: @@
 {{Molecule
 |abbrev=Ni(pbi)(pyS)2
-|moleculeKey=BAINVXPAYKQKOW-UHFFFAOYSA-J
+|moleculeKey=CLQAFMRCKIGWOF-UHFFFAOYSA-L
 |molOrRxn=
-   -INDIGO-12012310062D
+   -INDIGO-11302312462D
   0  0  0  0  0  0  0  0  0  0 V3000
 M  V30 BEGIN CTAB
-M  V30 COUNTS 60 74 0 0 0
+M  V30 COUNTS 30 37 0 0 0
 M  V30 BEGIN ATOM
 M  V30 1 C 4.22629 -7.80601 0.0 0
@@ Line 39: / Line 39: @@
 M  V30 29 Ni 7.04952 -6.51544 0.0 0 CHG=2
 M  V30 30 S 6.97788 -5.00244 0.0 0 CHG=-1
-M  V30 31 C 18.0492 -3.80037 0.0 0
-M  V30 32 C 16.551 -4.66594 0.0 0
-M  V30 33 C 17.5486 -4.66687 0.0 0
-M  V30 34 C 16.0505 -3.7991 0.0 0
-M  V30 35 C 17.5467 -2.93006 0.0 0
-M  V30 36 C 16.5467 -2.93586 0.0 0
-M  V30 37 N 17.8561 -5.61599 0.0 0
-M  V30 38 C 17.0484 -6.20166 0.0 0
-M  V30 39 N 16.2418 -5.61448 0.0 0
-M  V30 40 C 17.0484 -7.20166 0.0 0
-M  V30 41 C 17.915 -8.69932 0.0 0
-M  V30 42 N 17.9153 -7.70168 0.0 0
-M  V30 43 C 17.0485 -9.20037 0.0 0
-M  V30 44 C 16.1784 -7.70471 0.0 0
-M  V30 45 C 16.1849 -8.70477 0.0 0
-M  V30 46 C 22.1493 -5.41552 0.0 0
-M  V30 47 C 20.6506 -4.55079 0.0 0
-M  V30 48 N 21.1486 -5.41524 0.0 0
-M  V30 49 C 21.151 -3.68395 0.0 0
-M  V30 50 C 22.6518 -4.54522 0.0 0
-M  V30 51 C 22.1467 -3.68204 0.0 0
-M  V30 52 C 22.1993 -9.39052 0.0 0
-M  V30 53 C 20.7006 -8.52579 0.0 0
-M  V30 54 C 21.1986 -9.39023 0.0 0
-M  V30 55 N 21.201 -7.65895 0.0 0
-M  V30 56 C 22.7018 -8.52022 0.0 0
-M  V30 57 C 22.1967 -7.65704 0.0 0
-M  V30 58 S 19.6506 -4.55033 0.0 0 CHG=-1
-M  V30 59 S 19.7006 -8.52533 0.0 0 CHG=-1
-M  V30 60 Ni 19.647 -6.42481 0.0 0 CHG=2
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 108: / Line 78: @@
 M  V30 36 1 16 30
 M  V30 37 10 30 29
-M  V30 38 2 33 31
-M  V30 39 2 34 32
-M  V30 40 1 31 35
-M  V30 41 1 32 33
-M  V30 42 2 35 36
-M  V30 43 1 36 34
-M  V30 44 1 33 37
-M  V30 45 2 37 38
-M  V30 46 1 38 39
-M  V30 47 1 39 32
-M  V30 48 1 38 40
-M  V30 49 2 42 40
-M  V30 50 2 43 41
-M  V30 51 1 40 44
-M  V30 52 1 41 42
-M  V30 53 2 44 45
-M  V30 54 1 45 43
-M  V30 55 2 48 46
-M  V30 56 2 49 47
-M  V30 57 1 46 50
-M  V30 58 1 47 48
-M  V30 59 2 50 51
-M  V30 60 1 51 49
-M  V30 61 2 54 52
-M  V30 62 2 55 53
-M  V30 63 1 52 56
-M  V30 64 1 53 54
-M  V30 65 2 56 57
-M  V30 66 1 57 55
-M  V30 67 1 47 58
-M  V30 68 1 53 59
-M  V30 69 10 37 60
-M  V30 70 10 60 58
-M  V30 71 10 48 60
-M  V30 72 10 60 55
-M  V30 73 10 59 60
-M  V30 74 10 60 42
 M  V30 END BOND
 M  V30 END CTAB
 M  END
+|smiles=C1C=CC=N2[Ni+2]3([S-]C4N3=CC=CC=4)3([S-]C4=CC=CC=N43)N3=C(NC4C=CC=CC=43)C=12
-|smiles=C1C=CC=N2[Ni+2]3([S-]C4N3=CC=CC=4)3([S-]C4=CC=CC=N43)N3=C(NC4C=CC=CC=43)C=12.C1C=CC=C2NC3C4C=CC=CN=4[Ni+2]4([S-]C5C=CC=CN=54)4(N5C([S-]4)=CC=CC=5)N=3C=12
+|inchi=1S/C12H9N3.2C5H5NS.Ni/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;2*7-5-3-1-2-4-6-5;/h1-8H,(H,14,15);2*1-4H,(H,6,7);/q;;;+2/p-2
-|inchi=1S/2C12H9N3.4C5H5NS.2Ni/c2*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;4*7-5-3-1-2-4-6-5;;/h2*1-8H,(H,14,15);4*1-4H,(H,6,7);;/q;;;;;;2*+2/p-4
+|inchikey=CLQAFMRCKIGWOF-UHFFFAOYSA-L
-|inchikey=BAINVXPAYKQKOW-UHFFFAOYSA-J
+|width=300
-|width=200
 |height=200
 |float=none
-|molecularMass=473.027880444
+|molecularMass=
-|molecularFormula=C<sub>22</sub>H<sub>17</sub>N<sub>5</sub>NiS<sub>2</sub>
+|molecularFormula=
 |trivialname=
 |synonyms=

Molecule:100663: Difference between revisions

Latest revision as of 11:52, 8 February 2024

Molecule is used on following pages

Current site

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