Dataset

single crystal X-ray diffraction (single-crystal X-ray diffraction)

dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C20H30N6.2ClH.Fe/c1-23(2)19(24(3)4)21-16-13-9-11-15-12-10-14-17(18(15)16)22-20(25(5)6)26(7)8;;;/h9-14H,1-8H3;2*1H;/q;;;+2/p-2
SMILES CN(C(=Nc1cccc2c1c(ccc2)N=C(N(C)C)N(C)C)N(C)C)C.Cl[Fe]Cl
InChI Key QUQGCQVELVOFJG-UHFFFAOYSA-L
Molecular Formula C20H30Cl2FeN6
Exact Mass 481.243 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QUQGCQVELVOFJG-UHFFFAOYSA-L/CHMO0000159
License URL
Source https://www.chemotion-repository.net/inchikey/QUQGCQVELVOFJG-UHFFFAOYSA-L/CHMO0000159
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:34:24.495592
MetadataModified 2024-09-08T01:34:24.495598
MetadataPublished 2023-09-18
Field Value
Measurement Technique single crystal X-ray diffraction
Measurement Variables
Data-Source Molecule ID Data-Source
168499159 PubChem
The data in this table is sourced from UniChem at EBI.