Molecule:100663: Difference between revisions

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molecule
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Tag: Manual revert
 
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{{Molecule
{{Molecule
|abbrev=Ni(pbi)(pyS)2
|abbrev=Ni(pbi)(pyS)2
|moleculeKey=BAINVXPAYKQKOW-UHFFFAOYSA-J
|moleculeKey=CLQAFMRCKIGWOF-UHFFFAOYSA-L
|molOrRxn=
|molOrRxn=
   -INDIGO-12012310062D
   -INDIGO-11302312462D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
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 BEGIN ATOM
M  V30 1 C 4.22629 -7.80601 0.0 0
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 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 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 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
Line 108: Line 78:
M  V30 36 1 16 30
M  V30 36 1 16 30
M  V30 37 10 30 29
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 BOND
M  V30 END CTAB
M  V30 END CTAB
M  END
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
|height=200
|float=none
|float=none

Latest revision as of 19:35, 15 March 2025

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Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation Ni(pbi)(pyS)2
Trivialname n/a
Exact mass 473.027880444
Molecular formula C22H17N5NiS2
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

Ni(pbi)(pyS)2


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‎

Molecule is used on following pages

topic
publication
investigation

Molecule roles

Investigation type Catalyst
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments
Absorption Emission Spectroscopy experiments
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