Skip to main content
. 2016 Jan 1;72(Pt 1):49–52. doi: 10.1107/S2056989015023683

Table 2. Comparison of 120, 250, and 293 K data sets.

  120 K 250 K 293 K
a, c (Å) 18.960 (3), 13.642 (2) 19.039 (9), 13.651 (7) 19.210 (10), 13.567 (8)
Vol (Å3) 4903.8 4948.6 5007.1
% Vol change (w.r.t. 293 K) 2.1 1.2 0.0
R[F 2 > 2σ(F 2)], wR(F 2), S 0.0525, 0.1401, 1.028 0.0386, 0.1078, 1.029 0.0586, 0.1617, 1.017

Data recorded on a second crystal selected from same batch. Crystal showed signs of degradation at higher temperatures, presumably due to solvent loss. Inspection of the crystal after 293 K data set showed fracturing within the crystal.