Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/2C21H12F9P.C18H16NP.2Cu.2HI/c2*22-19(23,24)13-1-7-16(8-2-13)31(17-9-3-14(4-10-17)20(25,26)27)18-11-5-15(6-12-18)21(28,29)30;1-15-12-13-19-18(14-15)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17;;;;/h2*1-12H;2-14H,1H3;;;2*1H/q;;;2*+1;;/p-2
SMILES FC(c1ccc(cc1)P(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(F)F.FC(c1ccc(cc1)P(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(F)F.Cc1ccnc(c1)P(c1ccccc1)c1ccccc1.[Cu]I.[Cu]I
InChI Key FMGUCHPYMWQCJE-UHFFFAOYSA-L
Molecular Formula C60H40Cu2F18I2NP3
Exact Mass 1590.760 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FMGUCHPYMWQCJE-UHFFFAOYSA-L/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/FMGUCHPYMWQCJE-UHFFFAOYSA-L/CHMO0000156
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-10
Related Molecule
  • iodocopper;(4-methylpyridin-2-yl)-diphenylphosphane;tris[4-(trifluoromethyl)phenyl]phosphane
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146019165 PubChem
    The data in this table is sourced from UniChem at EBI.