Table 2. Experimental details.
Crystal data | |
Chemical formula | [Fe(C12H12N2)(H2O)4]SO4 |
M r | 408.21 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 293 |
a, b, c () | 9.5790(7), 9.6190(9), 18.5500(12) |
() | 101.527(5) |
V (3) | 1674.7(2) |
Z | 4 |
Radiation type | Mo K |
(mm1) | 1.07 |
Crystal size (mm) | 0.28 0.14 0.09 |
Data collection | |
Diffractometer | Bruker APEXII CCD |
Absorption correction | Multi-scan (SADABS; Bruker, 2009 ▶) |
T min, T max | 0.792, 0.881 |
No. of measured, independent and observed [I > 2(I)] reflections | 14477, 4868, 3305 |
R int | 0.117 |
(sin /)max (1) | 0.706 |
Refinement | |
R[F 2 > 2(F 2)], wR(F 2), S | 0.065, 0.196, 1.08 |
No. of reflections | 4867 |
No. of parameters | 223 |
H-atom treatment | H-atom parameters constrained |
max, min (e 3) | 0.84, 1.33 |