Molecule:100663: Difference between revisions
From ChemWiki
molecule
(auto-generated) |
(auto-generated) |
||
| (14 intermediate revisions by 2 users not shown) | |||
| Line 1: | Line 1: | ||
{{Molecule | {{Molecule | ||
|abbrev=Ni(pbi)(pyS)2 | |||
|abbrev= | |||
|moleculeKey=CLQAFMRCKIGWOF-UHFFFAOYSA-L | |moleculeKey=CLQAFMRCKIGWOF-UHFFFAOYSA-L | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -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 | ||
| Line 13: | Line 9: | ||
M V30 COUNTS 30 37 0 0 0 | M V30 COUNTS 30 37 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C | M V30 1 C 4.22629 -7.80601 0.0 0 | ||
M V30 2 N 5. | M V30 2 N 5.90948 -7.56855 0.0 0 | ||
M V30 3 C 4. | M V30 3 C 4.96703 -7.24549 0.0 0 | ||
M V30 4 C | M V30 4 C 6.08213 -8.50205 0.0 0 | ||
M V30 5 C | M V30 5 C 4.36141 -8.74382 0.0 0 | ||
M V30 6 C | M V30 6 C 5.29809 -9.11534 0.0 0 | ||
M V30 7 C 4. | M V30 7 C 4.92207 -6.38756 0.0 0 | ||
M V30 8 N 4. | M V30 8 N 4.11814 -5.81174 0.0 0 | ||
M V30 9 C 4. | M V30 9 C 4.47217 -4.9117 0.0 0 | ||
M V30 10 C 5. | M V30 10 C 5.45493 -4.93524 0.0 0 | ||
M V30 11 N 5. | M V30 11 N 5.71267 -5.91607 0.0 0 | ||
M V30 12 C 3. | M V30 12 C 3.95563 -4.10265 0.0 0 | ||
M V30 13 C 4. | M V30 13 C 4.43773 -3.2562 0.0 0 | ||
M V30 14 C 5. | M V30 14 C 5.97573 -4.1409 0.0 0 | ||
M V30 15 C 5. | M V30 15 C 5.46132 -3.25564 0.0 0 | ||
M V30 16 C | M V30 16 C 8.19043 -5.02095 0.0 0 | ||
M V30 17 C 9. | M V30 17 C 9.64906 -4.15013 0.0 0 | ||
M V30 18 C 8. | M V30 18 C 8.6395 -4.13871 0.0 0 | ||
M V30 19 C | M V30 19 C 10.0934 -5.02704 0.0 0 | ||
M V30 20 N 8. | M V30 20 N 8.55109 -5.74026 0.0 0 | ||
M V30 21 C 9. | M V30 21 C 9.5156 -5.85055 0.0 0 | ||
M V30 22 N 8. | M V30 22 N 8.5589 -7.14296 0.0 0 | ||
M V30 23 C | M V30 23 C 10.2084 -7.55589 0.0 0 | ||
M V30 24 C 9. | M V30 24 C 9.5038 -6.86005 0.0 0 | ||
M V30 25 C 9. | M V30 25 C 9.92498 -8.50582 0.0 0 | ||
M V30 26 C 8. | M V30 26 C 8.33576 -7.91156 0.0 0 | ||
M V30 27 C 8. | M V30 27 C 8.93402 -8.69908 0.0 0 | ||
M V30 28 S 7. | M V30 28 S 7.12277 -8.08302 0.0 0 CHG=-1 | ||
M V30 29 | M V30 29 Ni 7.04952 -6.51544 0.0 0 CHG=2 | ||
M V30 30 | M V30 30 S 6.97788 -5.00244 0.0 0 CHG=-1 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 74: | 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 26 28 | ||
M V30 31 | M V30 31 10 20 29 | ||
M V30 32 10 | M V30 32 10 11 29 | ||
M V30 33 | M V30 33 10 2 29 | ||
M V30 34 10 | M V30 34 10 22 29 | ||
M V30 35 10 | M V30 35 10 28 29 | ||
M V30 36 | M V30 36 1 16 30 | ||
M V30 37 | M V30 37 10 30 29 | ||
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]3( | |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 | |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 | |inchikey=CLQAFMRCKIGWOF-UHFFFAOYSA-L | ||
|width= | |width=300 | ||
|height= | |height=200 | ||
|float=none | |float=none | ||
|molecularMass= | |||
|molecularFormula= | |||
|trivialname= | |||
|synonyms= | |||
|hasVendors= | |||
|parent= | |parent= | ||
}} | }} | ||
Latest revision as of 11:52, 8 February 2024
| 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 |
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
