Molecule:100663: Difference between revisions
From ChemWiki
molecule
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{{Molecule | {{Molecule | ||
|abbrev=Ni(pbi)(pyS)2 | |abbrev=Ni(pbi)(pyS)2 | ||
|moleculeKey= | |moleculeKey=CLQAFMRCKIGWOF-UHFFFAOYSA-L | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-01102415302D | ||
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 | M V30 COUNTS 30 37 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C | M V30 1 C 10.2492 -3.62537 0.0 0 | ||
M V30 2 | M V30 2 C 8.751 -4.49094 0.0 0 | ||
M V30 3 C | M V30 3 C 9.7486 -4.49187 0.0 0 | ||
M V30 4 C | M V30 4 C 8.2505 -3.6241 0.0 0 | ||
M V30 5 C | M V30 5 C 9.7467 -2.75506 0.0 0 | ||
M V30 6 C | M V30 6 C 8.7467 -2.76086 0.0 0 | ||
M V30 7 | M V30 7 N 10.0561 -5.44099 0.0 0 | ||
M V30 8 C 9.2484 -6.02666 0.0 0 | |||
M V30 9 | M V30 9 N 8.4418 -5.43948 0.0 0 | ||
M V30 | M V30 10 C 9.2484 -7.02666 0.0 0 | ||
M V30 11 C 10.115 -8.52432 0.0 0 | |||
M V30 12 N 10.1153 -7.52668 0.0 0 | |||
M V30 13 C 9.2485 -9.02537 0.0 0 | |||
M V30 14 C 8.3784 -7.52971 0.0 0 | |||
M V30 15 C 8.3849 -8.52977 0.0 0 | |||
M V30 16 C 14.3493 -5.24052 0.0 0 | |||
M V30 | M V30 17 C 12.8506 -4.37579 0.0 0 | ||
M V30 | M V30 18 N 13.3486 -5.24024 0.0 0 | ||
M V30 19 C 13.351 -3.50895 0.0 0 | |||
M V30 20 C 14.8518 -4.37022 0.0 0 | |||
M V30 | M V30 21 C 14.3467 -3.50704 0.0 0 | ||
M V30 22 C 14.3993 -9.21552 0.0 0 | |||
M V30 23 C 12.9006 -8.35079 0.0 0 | |||
M V30 | M V30 24 C 13.3986 -9.21523 0.0 0 | ||
M V30 25 N 13.401 -7.48395 0.0 0 | |||
M V30 | M V30 26 C 14.9018 -8.34522 0.0 0 | ||
M V30 | M V30 27 C 14.3967 -7.48204 0.0 0 | ||
M V30 | M V30 28 S 11.8506 -4.37533 0.0 0 CHG=-1 | ||
M V30 29 S 11.9006 -8.35033 0.0 0 CHG=-1 | |||
M V30 30 Ni 11.847 -6.24981 0.0 0 CHG=2 | |||
M V30 | |||
M V30 | |||
M V30 | |||
M V30 | |||
M V30 | |||
M V30 | |||
M V30 | |||
M V30 | |||
M V30 | |||
M V30 | |||
M V30 | |||
M V30 | |||
M V30 | |||
M V30 | |||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
Line 78: | Line 48: | ||
M V30 6 1 6 4 | M V30 6 1 6 4 | ||
M V30 7 1 3 7 | M V30 7 1 3 7 | ||
M V30 8 | M V30 8 2 7 8 | ||
M V30 9 1 8 9 | M V30 9 1 8 9 | ||
M V30 10 2 | M V30 10 1 9 2 | ||
M V30 11 1 10 | M V30 11 1 8 10 | ||
M V30 12 2 | M V30 12 2 12 10 | ||
M V30 13 2 13 | M V30 13 2 13 11 | ||
M V30 14 1 10 14 | M V30 14 1 10 14 | ||
M V30 15 1 12 | M V30 15 1 11 12 | ||
M V30 16 2 14 15 | M V30 16 2 14 15 | ||
M V30 17 1 15 13 | M V30 17 1 15 13 | ||
Line 100: | Line 70: | ||
M V30 28 2 26 27 | M V30 28 2 26 27 | ||
M V30 29 1 27 25 | M V30 29 1 27 25 | ||
M V30 30 1 | M V30 30 1 17 28 | ||
M V30 31 | M V30 31 1 23 29 | ||
M V30 32 10 | M V30 32 10 7 30 | ||
M V30 33 10 | M V30 33 10 30 28 | ||
M V30 34 10 | M V30 34 10 18 30 | ||
M V30 35 10 | M V30 35 10 30 25 | ||
M V30 36 | M V30 36 10 29 30 | ||
M V30 37 10 30 | M V30 37 10 30 12 | ||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles= | |smiles=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/ | |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= | |inchikey=CLQAFMRCKIGWOF-UHFFFAOYSA-L | ||
|width=200 | |width=200 | ||
|height=200 | |height=200 |
Revision as of 15:31, 10 January 2024
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 |
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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