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. 2015 Oct 13;71(Pt 11):965–968. doi: 10.1107/S2053229615018100

Table 1. Experimental details.

  (1) (2)
Crystal data
Chemical formula [RuCl2(C11H6N2O)(CO)2] [RuCl2(C11H6N2O)(CO)3]
M r 410.17 438.18
Crystal system, space group Monoclinic, P21/n Triclinic, P Inline graphic
Temperature (K) 296 296
a, b, c () 6.5589(2), 16.9199(6), 12.7585(5) 7.458(2), 9.701(2), 11.594(9)
, , () 90, 100.69, 90 90.43(3), 108.60(4), 98.41(2)
V (3) 1391.30(8) 785.1(7)
Z 4 2
Radiation type Mo K Mo K
(mm1) 1.52 1.36
Crystal size (mm) 0.20 0.15 0.12 0.15 0.10 0.08
 
Data collection
Diffractometer Bruker APEXII CCD diffractometer Bruker APEXII CCD diffractometer
Absorption correction Multi-scan (SADABS; Bruker, 2008 ▸) Multi-scan (SADABS; Bruker, 2008 ▸)
T min, T max 0.668, 0.745 0.682, 0.745
No. of measured, independent and observed [I > 2(I)] reflections 13644, 2840, 2598 7433, 2934, 2141
R int 0.055 0.049
(sin /)max (1) 0.625 0.609
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.029, 0.076, 1.01 0.037, 0.060, 1.13
No. of reflections 2840 2934
No. of parameters 190 202
No. of restraints 0 1
H-atom treatment H-atom parameters constrained H-atom parameters constrained
max, min (e 3) 1.02, 0.42 0.74, 0.60

Computer programs: APEX2 (Bruker, 2008 ▸), SAINT (Bruker, 2008 ▸), SHELXS97 (Sheldrick, 2008 ▸), SHELXL2014 (Sheldrick, 2015 ▸), SHELXTL (Bruker 2008 ▸), OLEX2 (Dolomanov et al., 2009 ▸) and publCIF (Westrip, 2010 ▸).