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/C16H11N5.3CO.BrH.Re/c1-2-6-12(7-3-1)15-11-21(20-19-15)16-10-17-13-8-4-5-9-14(13)18-16;3*1-2;;/h1-11H;;;;1H;/q;;;;;+1/p-1
SMILES c1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cccc2.[C-]#[O+].[C-]#[O+].[C-]#[O+].Br[Re]
InChI Key JFQQXHCZLVWKOL-UHFFFAOYSA-M
Molecular Formula C19H11BrN5O3Re
Exact Mass 623.433 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JFQQXHCZLVWKOL-UHFFFAOYSA-M/CHMO0000159
License URL
Source https://www.chemotion-repository.net/inchikey/JFQQXHCZLVWKOL-UHFFFAOYSA-M/CHMO0000159
Version
Author Chloé Liagre
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • bromorhenium;carbon monoxide;2-(4-phenyltriazol-1-yl)quinoxaline
    • Field Value
    Measurement Technique single crystal X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623383 PubChem
    The data in this table is sourced from UniChem at EBI.