Skip to main content
. 2020 Apr 20;76(Pt 5):427–432. doi: 10.1107/S2053229620004404

Table 2. Experimental details.

Crystal data
Chemical formula Na2SO3(H2O)7
M r 252.15
Crystal system, space group Monoclinic, C1121/a
Temperature (K) 100
a, b, c (Å) 14.6563 (8), 19.7180 (9), 7.2197 (5)
γ (°) 94.0997 (17)
V3) 2081.1 (2)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.42
Crystal size (mm) 0.15 × 0.13 × 0.12
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.675, 0.747
No. of measured, independent and observed [I > 2σ(I)] reflections 16909, 4845, 4222
R int 0.021
(sin θ/λ)max−1) 0.827
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.023, 0.063, 1.06
No. of reflections 4845
No. of parameters 174
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.89, −0.33

Com­puter programs: APEX2 (Bruker, 2014), SAINT (Bruker, 2014), SHELXT (Sheldrick, 2015a ), SHELXL2018 (Sheldrick, 2015b ), ATOMS (Dowty, 2006), Mercury (Macrae et al., 2020) and publCIF (Westrip, 2010).