Structural Chemistry

, Volume 19, Issue 4, pp 679–682

Three crystal structures reported as lacking centers that should be refined as centrosymmetric

Original Research

DOI: 10.1007/s11224-008-9350-7

Cite this article as:
Herbstein, F.H. & Kapon, M. Struct Chem (2008) 19: 679. doi:10.1007/s11224-008-9350-7


The compounds {[Fe(phen)3]2+(TCNQ–TCNQ)2−) · 2(CH3OH)} (FIWPRD), {[Fe(C5H5)(C5H4CH2NMe3)]+)(TCNQ) (IKONOL), and {[Cu(1,4,5,12-tetraazacyclo-pentadecane)]2+(TCNQ)2} (AVOJEA) were reported in the non-centrosymmetric space groups Cc (#9), Pna21 (#33), and P1 (#1). Examination of the several sets of atomic coordinates shows that the space groups are more likely to be C2/c (#15), Pnma (#63), and \( P\bar 1 \) (#2), respectively. Confirmation of the centrosymmetric models requires access to the diffraction intensities; unfortunately these are not in the public domain.


Space group errors 

Copyright information

© Springer Science+Business Media, LLC 2008

Authors and Affiliations

  1. 1.Schulich Faculty of ChemistryTechnion–Israel Institute of TechnologyHaifaIsrael

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