TY - JOUR
T1 - Positional disorder manifested as compositional in a pseudo-C 2-symmetrical Pd complex
AU - Guzei, Ilia A.
AU - Spencer, Lara C.
AU - Ojwach, Stephen O.
AU - Darkwa, James
PY - 2008
Y1 - 2008
N2 - The title compound {2-[3,5-bis-(trifluoro-meth-yl)-1H-pyrazol-1-ylmeth-yl]- 6-(3,5-dimethyl-1H-pyrazol-1-ylmeth-yl)-pyridine}-meth-yl-palladium(II) tetra-kis[3,5-bis-(trifluoro-meth-yl)phen-yl]-borate, [Pd(C18H18F6N5)][B(C8H3F6) 4], crystallizes as discrete cations and anions. The cation possesses a pseudo-twofold axis about which positional disorder of the tridentate ligand is exhibited. The four substituents on the two pyrazole rings exhibit CH3/CF3 disorder, while all other atoms are ordered. Thus, this disorder can be conveniently described locally as compositional, while globally for the entire tridentate ligand it is positional. The anion also exhibits typical rotational positional disorder in three of the CF3 groups. All disordered CF3 groups were modeled with idealized C 3v geometry.
AB - The title compound {2-[3,5-bis-(trifluoro-meth-yl)-1H-pyrazol-1-ylmeth-yl]- 6-(3,5-dimethyl-1H-pyrazol-1-ylmeth-yl)-pyridine}-meth-yl-palladium(II) tetra-kis[3,5-bis-(trifluoro-meth-yl)phen-yl]-borate, [Pd(C18H18F6N5)][B(C8H3F6) 4], crystallizes as discrete cations and anions. The cation possesses a pseudo-twofold axis about which positional disorder of the tridentate ligand is exhibited. The four substituents on the two pyrazole rings exhibit CH3/CF3 disorder, while all other atoms are ordered. Thus, this disorder can be conveniently described locally as compositional, while globally for the entire tridentate ligand it is positional. The anion also exhibits typical rotational positional disorder in three of the CF3 groups. All disordered CF3 groups were modeled with idealized C 3v geometry.
UR - http://www.scopus.com/inward/record.url?scp=40449129446&partnerID=8YFLogxK
U2 - 10.1107/S0108270108002503
DO - 10.1107/S0108270108002503
M3 - Article
AN - SCOPUS:40449129446
SN - 0108-2701
VL - 64
SP - m114-m116
JO - Acta Crystallographica Section C: Crystal Structure Communications
JF - Acta Crystallographica Section C: Crystal Structure Communications
IS - 3
ER -