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. 2015 Jan 1;71(Pt 1):45–47. doi: 10.1107/S2056989014026620

Table 2. Experimental details.

Crystal data
Chemical formula [Re2Cl6(C3H7NO2)2]1.5H2O
M r 790.32
Crystal system, space group Monoclinic, P21/n
Temperature (K) 223
a, b, c () 8.2884(9), 17.4526(14), 13.2715(14)
() 107.838(3)
V (3) 1827.5(3)
Z 4
Radiation type Mo K
(mm1) 14.13
Crystal size (mm) 0.25 0.22 0.14
 
Data collection
Diffractometer Siemens SMART CCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 2008)
T min, T max 0.139, 0.267
No. of measured, independent and observed [I > 2(I)] reflections 11029, 4413, 4235
R int 0.027
(sin /)max (1) 0.665
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.031, 0.075, 1.26
No. of reflections 4413
No. of parameters 210
H-atom treatment H-atom parameters constrained
max, min (e 3) 1.70, 1.62

Computer programs: SMART and SAINT (Bruker, 2008), SHELXS97 and SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 1999) and WinGX (Farrugia, 2012).