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. 2015 May 23;71(Pt 6):663–666. doi: 10.1107/S2056989015009457

Table 2. Experimental details.

Crystal data
Chemical formula NH4[La(SO4)2(H2O)]
M r 367.07
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c () 8.4919(16), 9.978(2), 11.9268(19)
() 128.511(10)
V (3) 790.7(3)
Z 4
Radiation type Mo K
(mm1) 5.96
Crystal size (mm) 0.30 0.20 0.10
 
Data collection
Diffractometer Nonius KappaCCD
Absorption correction For a sphere (Dwiggins, 1975)
T min, T max 0.419, 0.431
No. of measured, independent and observed [I > 2(I)] reflections 2414, 2414, 2362
(sin /)max (1) 0.715
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.027, 0.081, 1.26
No. of reflections 2414
No. of parameters 124
No. of restraints 3
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 1.81, 1.48

Computer programs: COLLECT (Nonius, 1998), DENZO and SCALEPACK (Otwinowski Minor, 1997), SIR92 (Altomare et al., 1993), SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows and WinGX (Farrugia, 2012) and DIAMOND (Brandenburg Berndt, 1999).