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. 2015 Jun 30;71(Pt 7):875–878. doi: 10.1107/S2056989015012219

Table 2. Experimental details.

Crystal data
Chemical formula [Sr(C2H5NO2)2(H2O)3]Br2
M r 451.63
Crystal system, space group Orthorhombic, P b c n
Temperature (K) 296
a, b, c () 16.4198(9), 9.5438(5), 8.2402(4)
V (3) 1291.30(12)
Z 4
Radiation type Mo K
(mm1) 10.38
Crystal size (mm) 0.15 0.10 0.10
 
Data collection
Diffractometer Bruker Kappa APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 1999)
T min, T max 0.251, 0.410
No. of measured, independent and observed [I > 2(I)] reflections 22178, 1564, 1244
R int 0.070
(sin /)max (1) 0.661
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.023, 0.057, 1.14
No. of reflections 1564
No. of parameters 99
No. of restraints 2
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.86, 0.68

Computer programs: APEX2 and SAINT (Bruker, 2004), SIR92 (Altomare et al., 1995), SHELXL2014 (Sheldrick, 2015), PLATON (Spek, 2009) and Mercury (Macrae et al., 2008).