Table 2. Experimental details.
Crystal data | |
Chemical formula | [Re2(C4H7O2)2Cl4(C2H6OS)2] |
M r | 844.65 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 110 |
a, b, c () | 10.5581(4), 14.7406(5), 15.6088(6) |
() | 100.794(2) |
V (3) | 2386.26(15) |
Z | 4 |
Radiation type | Mo K |
(mm1) | 10.78 |
Crystal size (mm) | 0.22 0.18 0.09 |
Data collection | |
Diffractometer | Siemens SMART CCD area-detector |
Absorption correction | Multi-scan (SADABS; Bruker, 2008 ▸) |
T min, T max | 0.133, 0.478 |
No. of measured, independent and observed [I > 2(I)] reflections | 93039, 14497, 11921 |
R int | 0.040 |
(sin /)max (1) | 0.909 |
Refinement | |
R[F 2 > 2(F 2)], wR(F 2), S | 0.025, 0.049, 1.00 |
No. of reflections | 14497 |
No. of parameters | 243 |
H-atom treatment | H-atom parameters constrained |
max, min (e 3) | 1.71, 1.14 |