Small molecule crystallography
 
 
R-AXIS SPIDER Application Byte

 

Analysis of twinned crystals

Collected on Rigaku's R-AXIS SPIDER, the monoclinic crystals are twinned by a twin law that results in a 180° rotation about the c axis. The two components of this particular sample existed in an approx 80:20 ratio. The cadmium complex forms infinite chains along the b-axis; the Cd centers are bridged by SO4 groups.

The twin components were indexed and integrated with the Rigaku TwinSolve package; the structure was refined using the twin-handling capabilities of SHELXL.

Formula:

Formula weight:

Space group:

Unit cell:

a = 18.28960 Å
b = 6.85060 Å
c = 18.74480 Å
β = 92.260°
V = 
Z = 

Radiation:

Mo-Kα

R1:
wR2:
GooF = S :

0.0737 for 9770 Fo > 4σ(Fo)
0.1980
1.134

Data collection temperature:

Source: