Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Info

molecular Image
InChI InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;
SMILES C1CN2CCN1CC2.C1CN2CCN1CC2.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[Cu][Cu].[Cu][Cu].[Cu][Cu].[Cu][Cu]
InChI Key DBLYDXDFRQUSRQ-QYQCSXRTSA-F
Molecular Formula C52H52Cu8N16O16-8
Exact Mass 1650.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DBLYDXDFRQUSRQ-QYQCSXRTSA-F/CHMO0000156.4
License URL
Source https://www.chemotion-repository.net/inchikey/DBLYDXDFRQUSRQ-QYQCSXRTSA-F/CHMO0000156.4
Version
Author Lena Pilz
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-09-07
Related Molecule
  • nfdi4chem-mol1809 (Unknown Molecule)
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.