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. 2015 Oct 28;71(Pt 11):1384–1387. doi: 10.1107/S2056989015019933

Table 4. Experimental details.

Crystal data
Chemical formula (C6H14N2)2[Bi2Cl10]2H2O
M r 1036.88
Crystal system, space group Monoclinic, P21/c
Temperature (K) 293
a, b, c () 7.875(3), 18.379(5), 10.444(4)
() 105.95(3)
V (3) 1453.4(9)
Z 2
Radiation type Mo K
(mm1) 13.03
Crystal size (mm) 0.5 0.3 0.2
 
Data collection
Diffractometer EnrafNonius CAD-4
Absorption correction scan (North et al., 1968)
T min, T max 0.013, 0.074
No. of measured, independent and observed [I > 2(I)] reflections 3159, 3159, 2681
R int 0.035
(sin /)max (1) 0.638
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.036, 0.102, 1.06
No. of reflections 3159
No. of parameters 142
No. of restraints 2
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 3.48, 2.57

Computer programs: CAD-4 EXPRESS (EnrafNonius, 1994), XCAD4 (Harms Wocadlo, 1995), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), DIAMOND (Brandenburg, 2006) and publCIF (Westrip, 2010).