Dataset

single crystal X-ray diffraction (single-crystal X-ray diffraction)

dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction)

Chemical Information

molecular Image
InChI InChI=1S/C20H20NP.2C18H12F3P.2Cu.2HI/c1-15-4-8-18(9-5-15)22(19-10-6-16(2)7-11-19)20-14-17(3)12-13-21-20;2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;;/h4-14H,1-3H3;2*1-12H;;;2*1H/q;;;2*+1;;/p-2
SMILES Cc1ccc(cc1)P(c1nccc(c1)C)c1ccc(cc1)C.Fc1ccc(cc1)P(c1ccc(cc1)F)c1ccc(cc1)F.Fc1ccc(cc1)P(c1ccc(cc1)F)c1ccc(cc1)F.[Cu]I.[Cu]I
InChI Key JHIPIVSVOWBYSS-UHFFFAOYSA-L
Molecular Formula C56H44Cu2F6I2NP3
Exact Mass 1318.768 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JHIPIVSVOWBYSS-UHFFFAOYSA-L/CHMO0000159
License URL
Source https://www.chemotion-repository.net/inchikey/JHIPIVSVOWBYSS-UHFFFAOYSA-L/CHMO0000159
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-10-29
Related Molecule
  • bis(4-methylphenyl)-(4-methylpyridin-2-yl)phosphane;iodocopper;tris(4-fluorophenyl)phosphane
    • Field Value
    Measurement Technique single crystal X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154733610 PubChem
    The data in this table is sourced from UniChem at EBI.