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. 2018 Jun 28;74(Pt 7):1021–1025. doi: 10.1107/S2056989018009118

Table 3. Experimental details.

Crystal data
Chemical formula C2H10N2 2+·C21H13N3O8S2−·2H2O
M r 565.55
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 7.0590 (6), 23.851 (2), 15.3622 (13)
β (°) 93.337 (3)
V3) 2582.1 (4)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.19
Crystal size (mm) 0.26 × 0.15 × 0.08
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2007)
T min, T max 0.946, 0.975
No. of measured, independent and observed [I > 2σ(I)] reflections 41494, 4930, 3559
R int 0.083
(sin θ/λ)max−1) 0.611
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.043, 0.112, 1.02
No. of reflections 4930
No. of parameters 352
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.37, −0.34

Computer programs: APEX2 and SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL2018 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009).