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/2C18H12F3P.C17H14NP.2Cu.2HI/c2*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;1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;;;;/h2*1-12H;1-14H;;;2*1H/q;;;2*+1;;/p-2
SMILES c1ccc(cc1)P(c1ccccn1)c1ccccc1.Fc1ccc(cc1)P(c1ccc(cc1)F)c1ccc(cc1)F.Fc1ccc(cc1)P(c1ccc(cc1)F)c1ccc(cc1)F.[Cu]I.[Cu]I
InChI Key HEUZWJQTESFHKU-UHFFFAOYSA-L
Molecular Formula C53H38Cu2F6I2NP3
Exact Mass 1276.688 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HEUZWJQTESFHKU-UHFFFAOYSA-L/CHMO0000159
License URL
Source https://www.chemotion-repository.net/inchikey/HEUZWJQTESFHKU-UHFFFAOYSA-L/CHMO0000159
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-07
Related Molecule
  • diphenyl(pyridin-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
    146019155 PubChem
    The data in this table is sourced from UniChem at EBI.