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. 2015 Sep 12;71(Pt 10):1155–1158. doi: 10.1107/S2056989015016801

Table 3. Experimental details.

Crystal data
Chemical formula [Pt(C2H8N2)4][PtI2(C2H8N2)4](C8H17SO3)42H2O
M r 1693.53
Crystal system, space group Orthorhombic, P m c n
Temperature (K) 301
a, b, c () 36.997(3), 7.118(2), 11.788(3)
V (3) 3104.3(11)
Z 2
Radiation type Mo K
(mm1) 5.69
Crystal size (mm) 0.17 0.15 0.05
 
Data collection
Diffractometer Rigaku AFC-5S
Absorption correction Gaussian (Coppens et al., 1965)
T min, T max 0.467, 0.757
No. of measured, independent and observed [I > 2(I)] reflections 5883, 5688, 2039
R int 0.006
(sin /)max (1) 0.756
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.044, 0.112, 0.92
No. of reflections 5688
No. of parameters 174
No. of restraints 2
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 1.66, 2.12

Computer programs: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1988), local program F2-AFC (Matsushita, 1998), SHELXS97 and SHELXL97 (Sheldrick, 2008) and DIAMOND (Brandenburg, 2006).