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/C12H20N4.2ClH.Fe/c1-15(2)12(16(3)4)14-10-8-11-7-5-6-9-13-11;;;/h5-7,9H,8,10H2,1-4H3;2*1H;/q;;;+2/p-2
SMILES CN(C(=NCCc1ccccn1)N(C)C)C.Cl[Fe]Cl
InChI Key SUGFTNYFKCUSRX-UHFFFAOYSA-L
Molecular Formula C12H20Cl2FeN4
Exact Mass 347.065 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SUGFTNYFKCUSRX-UHFFFAOYSA-L/CHMO0000159
License URL
Source https://www.chemotion-repository.net/inchikey/SUGFTNYFKCUSRX-UHFFFAOYSA-L/CHMO0000159
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-09-18
Related Molecule
  • dichloroiron;1,1,3,3-tetramethyl-2-(2-pyridin-2-ylethyl)guanidine
    • Field Value
    Measurement Technique single crystal X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168499162 PubChem
    The data in this table is sourced from UniChem at EBI.