The crystal structures of polymorph II of diisothiocyanatobis(2,2′-bipyridine)iron(II), [Fe(bpy)2(NCS)2], in the high- (298 K) and low-spin states (175, 110 K) were determined by an X-ray diffraction method. The crystal is orthorhombic, space group Pcnb and Z=4 over the entire temperature range. At 298 K, a=13.2044 (6), b=16.4820 (7), c=10.1086 (7) Å, U=2200.0 (2) Å3, Dc=1.462 g cm−3 and at 110 K, a=12.9842 (9), b=16.1067 (12), c=9.8938 (8) Å, U=2069.1 (3) Å3, Dc=1.555 g cm−3. The structures were refined to R=0.047, 0.044, and 0.042 at 298, 175, and 110 K, respectively. The difference in the average Fe–N bond lengths between high- and low-spin states is 0.17 Å. The pressure dependence of the absorption spectra was also measured up to 8.5 GPa using a diamond anvil cell. These results indicate that with increasing pressure the high-spin state at 1 atm starts to change to the low-spin state at 0.3 GPa and that its low-spin state reverts again to the high-spin state at around 3.3 GPa.
Temperature and magnetic field dependences of crystal structure of TbIG were investigated by X-ray diffraction. Corrections for primary and secondary extinction were made. It was found that temperature variation significantly affects the spherical domain, size r, whereas magnetic field affects the mosaic spread η.
The crystal structure of the title compound, C6H12OS3, was determined by X-ray diffraction. The space group 0567-7408/80/102333-05501.00is Pbca with a = 11.763 (2), b = 19.102 (2), c = 8.261 (1)A and Z = 8. The structure was refined to R = 0.037 for 1834 reflections collected by diffractometry. The 1,3,5-trithiane ring takes a chair
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