single crystal X-ray diffraction...
URL: https://www.chemotion-repository.net/inchikey/XWYMULSFAJAODR-TXTNVABFSA-N/CHMO0000159
Dataset description:
dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction)\n\n
Source: single crystal X-ray diffraction (single-crystal X-ray diffraction)
Chemical Info
| InChI | InChI=1S/C36H28OP2.C12H8N3S.Cu/c1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-6-11-10(5-1)15-12(16-11)14-8-9-4-3-7-13-9;/h1-28H;1-8H;/q;-1;+1/b;14-8+; |
|---|---|
| SMILES | c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.[Cu]n1cccc1/C=N/c1nc2c(s1)cccc2 |
| InChI Key | XWYMULSFAJAODR-TXTNVABFSA-N |
| Molecular Formula | C48H36CuN3OP2S |
| Exact Mass | 828.377 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | d7ac53be-0f82-44c1-833e-3d7a8c755df2 |
| Package id | 10-14272-xwymulsfajaodr-txtnvabfsa-n-chmo0000159 |
| Resource type | HTML |
| State | active |