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. 2015 Aug 12;71(Pt 9):1017–1021. doi: 10.1107/S2056989015014632

Table 2. Experimental details.

Crystal data
Chemical formula [RuCl(C10H8N2)(C30H20N6)]PF6
M r 902.19
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 120
a, b, c () 8.678(4), 13.743(7), 18.999(10)
, , () 94.913(7), 90.583(7), 91.316(7)
V (3) 2257(2)
Z 2
Radiation type Mo K
(mm1) 0.50
Crystal size (mm) 0.20 0.12 0.08
 
Data collection
Diffractometer Bruker D8 with APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2007)
T min, T max 0.703, 0.961
No. of measured, independent and observed [I > 2(I)] reflections 22054, 8243, 4937
R int 0.109
(sin /)max (1) 0.604
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.062, 0.136, 0.91
No. of reflections 8243
No. of parameters 578
No. of restraints 48
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.74, 0.74

Computer programs: APEX2 and SAINT-Plus (Bruker, 2007), SHELXS97 and SHELXL97 (Sheldrick, 2008), Mercury (Macrae et al., 2008) and publCIF (Westrip, 2010).