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. 2015 Apr 22;71(Pt 5):520–522. doi: 10.1107/S2056989015005988

Table 2. Experimental details.

Crystal data
Chemical formula (C4H7N2)[Sn(C2O4)Cl3(H2O)]
M r 414.19
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 120
a, b, c () 7.4757(9), 8.0857(10), 11.2846(14)
, , () 80.856(8), 83.946(9), 86.587(8)
V (3) 669.05(14)
Z 2
Radiation type Ga K, = 1.34139
(mm1) 13.92
Crystal size (mm) 0.05 0.04 0.04
 
Data collection
Diffractometer Bruker Venture Metaljet
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.133, 0.255
No. of measured, independent and observed [I > 2(I)] reflections 5497, 2520, 1604
R int 0.112
(sin /)max (1) 0.619
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.062, 0.150, 1.07
No. of reflections 2520
No. of parameters 156
H-atom treatment H-atom parameters constrained
max, min (e 3) 2.10, 1.23

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXT (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ), OLEX2 (Dolomanov et al., 2009), Mercury (Macrae et al., 2008) and publCIF (Westrip, 2010).