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Space Group Choice for an Octahedral Zn Complex with Nalidixic Acid and (R,R)-Diaminocyclohexane as Ligands: Get the Stereochemistry Right

Authors :
Lutz, Martin
Müller, Tom w.
Lutz, Martin
Müller, Tom w.
Source :
Crystals vol.14 (2024) date: 2024-05-23 nr.6 [ISSN 2073-4352]
Publication Year :
2024

Abstract

With this report, the space group of (Formula presented.) is corrected ((Formula presented.) : nalidixic acid mono-anion; (Formula presented.) : diaminocyclohexane) from its wrong description in the literature. In the correct, non-centrosymmetric space group (Formula presented.), the crystal structure is well ordered and the stereochemistry is correct. Crystallographic tools to recognize the correct symmetry are described. This work encourages experienced and inexperienced scientists to remain critical about the output of automatic, black-box crystallographic software.

Details

Database :
OAIster
Journal :
Crystals vol.14 (2024) date: 2024-05-23 nr.6 [ISSN 2073-4352]
Notes :
DOI: 10.3390/cryst14060498, English
Publication Type :
Electronic Resource
Accession number :
edsoai.on1445835609
Document Type :
Electronic Resource