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Structural Variation in Transition‐Metal Bispidine Compounds
Author(s) -
Comba Peter,
Kerscher Marion,
Merz Michael,
Müller Vera,
Pritzkow Hans,
Remenyi Rainer,
Schiek Wolfgang,
Xiong Yun
Publication year - 2002
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/1521-3765(20021216)8:24<5750::aid-chem5750>3.0.co;2-p
Subject(s) - crystallography , denticity , ligand (biochemistry) , chemistry , nonane , bond length , transition metal , metal , pyridine , stereochemistry , crystal structure , medicinal chemistry , biochemistry , receptor , organic chemistry , catalysis
The experimentally determined molecular structures of 40 transition metal complexes with the tetradentate bispyridine‐substituted bispidone ligand, 2,4‐bis(2‐pyridine)‐3,7‐diazabicyclo[3.3.1]nonane‐9‐one [M(bisp)XYZ] n + ; M=Cr III , Mn II , Fe II , Co II , Cu II , Cu I , Zn II ; X, Y, Z=mono‐ or bidentate co‐ligands; penta‐, hexa‐ or heptacoordinate complexes) are characterized in detail, supported by force‐field and DFT calculations. While the bispidine ligand is very rigid (N3⋅⋅⋅N7 distance=2.933±0.025 Å), it tolerates a large range of metal–donor bond lengths (2.07 Å<Σ(MN)/4<2.35 Å). Of particular interest is the ratio of the bond lengths between the metal center and the two tertiary amine donors (0.84 Å