TY - JOUR
T1 - On the two closely related phases of [Ru(C5Me 5(η6-1,3-(Me2NCH2) 2C6H4)](BF4) and the reversible solid-solid order-disorder phase transition
AU - Siegler, M. A.
AU - Bonnet, S.
AU - Schreurs, A.M.M.
AU - Klein Gebbink, R.J.M.
AU - Koten, G. V.
AU - Spek, A.L.
PY - 2010
Y1 - 2010
N2 - Crystals of the complex [Ru(C5Me5)(g6-1,3-
(Me2NCH2)2C6H4)](BF4) have been examined over the
temperature range 150–300 K via X-ray diffraction measurements.
This study shows that the Ru complex is a twophase
system in this T-range and the solid–solid transition
is reversible. At 150 K, phase II (P21/c, Z0 = 4) is ordered
and non-merohedrally twinned, a = 16.4396 (9) A ° ,
b = 17.3226 (4) A ° , c = 32.1874 (11) A ° , b = 91.375 (2) .
At 295 K, phase I (Pbca, Z0 = 1) is disordered, a = 8.5071
(3) A ° , b = 17.1567 (3) A ° , c = 32.8250 (8) A ° . The relationship
between the two phases is obvious because the
packing remains similar in the two phases. The greatest
structural changes between the two phases are found in
the rows of adjacent cations [Ru(C5Me5)(g6-1,3-
(Me2NCH2)2C6H4)]? packed along the a direction. These
rows are ordered in phase II but are disordered in phase I.
The phase transition is first order. Significant changes in
thermal motion for the cations are considered as being the
driving force for the occurrence of this phase transition.
AB - Crystals of the complex [Ru(C5Me5)(g6-1,3-
(Me2NCH2)2C6H4)](BF4) have been examined over the
temperature range 150–300 K via X-ray diffraction measurements.
This study shows that the Ru complex is a twophase
system in this T-range and the solid–solid transition
is reversible. At 150 K, phase II (P21/c, Z0 = 4) is ordered
and non-merohedrally twinned, a = 16.4396 (9) A ° ,
b = 17.3226 (4) A ° , c = 32.1874 (11) A ° , b = 91.375 (2) .
At 295 K, phase I (Pbca, Z0 = 1) is disordered, a = 8.5071
(3) A ° , b = 17.1567 (3) A ° , c = 32.8250 (8) A ° . The relationship
between the two phases is obvious because the
packing remains similar in the two phases. The greatest
structural changes between the two phases are found in
the rows of adjacent cations [Ru(C5Me5)(g6-1,3-
(Me2NCH2)2C6H4)]? packed along the a direction. These
rows are ordered in phase II but are disordered in phase I.
The phase transition is first order. Significant changes in
thermal motion for the cations are considered as being the
driving force for the occurrence of this phase transition.
U2 - 10.1007/s10870-010-9732-8
DO - 10.1007/s10870-010-9732-8
M3 - Article
SN - 1074-1542
VL - 40
SP - 753
EP - 760
JO - Journal of Chemical Crystallography
JF - Journal of Chemical Crystallography
IS - 9
ER -