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. 2015 May 30;71(Pt 6):726–729. doi: 10.1107/S205698901501021X

Table 3. Experimental details.

Crystal data
Chemical formula C6H14N2O4Se2 2+2(Cl)
M r 407.02
Crystal system, space group Monoclinic, C2
Temperature (K) 100
a, b, c () 18.8045(16), 5.2529(4), 7.2719(6)
() 102.219(1)
V (3) 702.03(10)
Z 2
Radiation type Mo K
(mm1) 5.65
Crystal size (mm) 0.85 0.08 0.07
 
Data collection
Diffractometer Bruker D8 Advance single-crystal CCD
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.514, 1.000
No. of measured, independent and observed [I > 2(I)] reflections 11089, 4209, 4080
R int 0.024
(sin /)max (1) 0.908
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.023, 0.062, 1.10
No. of reflections 4209
No. of parameters 78
No. of restraints 3
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 4.55, 0.87
Absolute structure Flack x determined using 1708 quotients (Parsons et al., 2013)
Absolute structure parameter 0.044(4)

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXT (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ) and Mercury (Macrae et al., 2008).