Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/2C9H6O6.2Cu/c2*10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;;/h2*1-3H,(H,10,11)(H,12,13)(H,14,15);;/q;;2*+2/p-6
SMILES [O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[O-]C(=O)c1cc(cc(c1)C(=O)[O-])C(=O)[O-].[Cu+2].[Cu+2]
InChI Key JMHFTDFPRQWUAN-UHFFFAOYSA-H
Molecular Formula C18H6Cu2O12-2
Exact Mass 541.325 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JMHFTDFPRQWUAN-UHFFFAOYSA-H/CHMO0000156.32
License URL
Source https://www.chemotion-repository.net/inchikey/JMHFTDFPRQWUAN-UHFFFAOYSA-H/CHMO0000156.32
Version
Author Lena Pilz
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-08-10
Related Molecule
  • dicopper;benzene-1,3,5-tricarboxylate
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138375860 PubChem
    The data in this table is sourced from UniChem at EBI.