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. 2014 Nov 15;70(Pt 12):486–488. doi: 10.1107/S160053681402460X

Table 2. Experimental details.

Crystal data
Chemical formula [Pd(C12H16N8)]Cl2
M r 449.63
Crystal system, space group Monoclinic, C2/c
Temperature (K) 150
a, b, c () 13.797(3), 9.6560(19), 14.174(3)
() 117.80(3)
V (3) 1670.4(6)
Z 4
Radiation type Mo K
(mm1) 1.44
Crystal size (mm) 0.40 0.40 0.20
 
Data collection
Diffractometer Stoe IPDS 2T
Absorption correction Multi-scan (Blessing, 1995)
T min, T max 0.562, 0.750
No. of measured, independent and observed [I > 2(I)] reflections 7700, 2253, 2030
R int 0.054
(sin /)max (1) 0.686
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.039, 0.094, 1.12
No. of reflections 2253
No. of parameters 112
No. of restraints 2
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 1.79, 1.73

Computer programs: X-AREA and X-RED32 (Stoe, 2008), SHELXS97, SHELXL97 and XP (Sheldrick, 2008).