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 3: / Line 3: @@
 |moleculeKey=CLQAFMRCKIGWOF-UHFFFAOYSA-L
 |molOrRxn=
-   -INDIGO-11282314122D
+   -INDIGO-11302312462D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 9: / Line 9: @@
 M  V30 COUNTS 30 37 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 C 3.92871 -7.18068 0.0 0
+M  V30 1 C 4.22629 -7.80601 0.0 0
-M  V30 2 N 5.77912 -7.18742 0.0 0
+M  V30 2 N 5.90948 -7.56855 0.0 0
-M  V30 3 C 4.81054 -6.73889 0.0 0
+M  V30 3 C 4.96703 -7.24549 0.0 0
-M  V30 4 C 5.65162 -8.10666 0.0 0
+M  V30 4 C 6.08213 -8.50205 0.0 0
-M  V30 5 C 3.87736 -8.0075 0.0 0
+M  V30 5 C 4.36141 -8.74382 0.0 0
-M  V30 6 C 4.65157 -8.50857 0.0 0
+M  V30 6 C 5.29809 -9.11534 0.0 0
-M  V30 7 C 4.80991 -5.98331 0.0 0
+M  V30 7 C 4.92207 -6.38756 0.0 0
-M  V30 8 N 4.0137 -5.46246 0.0 0
+M  V30 8 N 4.11814 -5.81174 0.0 0
-M  V30 9 C 4.2801 -4.64013 0.0 0
+M  V30 9 C 4.47217 -4.9117 0.0 0
-M  V30 10 C 5.259 -4.59864 0.0 0
+M  V30 10 C 5.45493 -4.93524 0.0 0
-M  V30 11 N 5.69533 -5.48533 0.0 0
+M  V30 11 N 5.71267 -5.91607 0.0 0
-M  V30 12 C 3.75867 -3.95526 0.0 0
+M  V30 12 C 3.95563 -4.10265 0.0 0
-M  V30 13 C 4.15256 -3.20166 0.0 0
+M  V30 13 C 4.43773 -3.2562 0.0 0
-M  V30 14 C 5.58883 -3.8962 0.0 0
+M  V30 14 C 5.97573 -4.1409 0.0 0
-M  V30 15 C 5.05569 -3.16467 0.0 0
+M  V30 15 C 5.46132 -3.25564 0.0 0
-M  V30 16 C 7.98564 -4.74873 0.0 0
+M  V30 16 C 8.19043 -5.02095 0.0 0
-M  V30 17 C 9.46403 -4.02754 0.0 0
+M  V30 17 C 9.64906 -4.15013 0.0 0
-M  V30 18 C 8.64118 -3.86203 0.0 0
+M  V30 18 C 8.6395 -4.13871 0.0 0
-M  V30 19 C 9.68906 -4.85978 0.0 0
+M  V30 19 C 10.0934 -5.02704 0.0 0
-M  V30 20 N 8.23234 -5.48611 0.0 0
+M  V30 20 N 8.55109 -5.74026 0.0 0
-M  V30 21 C 9.05042 -5.60839 0.0 0
+M  V30 21 C 9.5156 -5.85055 0.0 0
-M  V30 22 N 8.32236 -6.85273 0.0 0
+M  V30 22 N 8.5589 -7.14296 0.0 0
-M  V30 23 C 9.86571 -7.30043 0.0 0
+M  V30 23 C 10.2084 -7.55589 0.0 0
-M  V30 24 C 9.1513 -6.62716 0.0 0
+M  V30 24 C 9.5038 -6.86005 0.0 0
-M  V30 25 C 9.72525 -8.1515 0.0 0
+M  V30 25 C 9.92498 -8.50582 0.0 0
-M  V30 26 C 8.16095 -7.60143 0.0 0
+M  V30 26 C 8.33576 -7.91156 0.0 0
-M  V30 27 C 8.9122 -8.40358 0.0 0
+M  V30 27 C 8.93402 -8.69908 0.0 0
-M  V30 28 S 7.004 -4.94982 0.0 0 CHG=-1
+M  V30 28 S 7.12277 -8.08302 0.0 0 CHG=-1
-M  V30 29 S 7.15093 -7.50667 0.0 0 CHG=-1
+M  V30 29 Ni 7.04952 -6.51544 0.0 0 CHG=2
-M  V30 30 Ni 7.08398 -6.24492 0.0 0 CHG=2
+M  V30 30 S 6.97788 -5.00244 0.0 0 CHG=-1
 M  V30 END ATOM
 M  V30 BEGIN BOND
@@ Line 70: / Line 70: @@
 M  V30 28 2 26 27
 M  V30 29 1 27 25
-M  V30 30 1 16 28
+M  V30 30 1 26 28
-M  V30 31 1 26 29
+M  V30 31 10 20 29
-M  V30 32 10 20 30
+M  V30 32 10 11 29
-M  V30 33 10 28 30
+M  V30 33 10 2 29
-M  V30 34 10 11 30
+M  V30 34 10 22 29
-M  V30 35 10 2 30
+M  V30 35 10 28 29
-M  V30 36 10 22 30
+M  V30 36 1 16 30
-M  V30 37 10 29 30
+M  V30 37 10 30 29
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=C1C=CC=N2[Ni+2]3([S-]C4=CC=CC=N43)(N3=C(NC4C=CC=CC=43)C=12)1[S-]C2N1=CC=CC=2
+|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
 |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
 |inchikey=CLQAFMRCKIGWOF-UHFFFAOYSA-L
-|width=300px
+|width=300
-|height=200px
+|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

Topics