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. 2015 Feb 7;71(Pt 3):248–250. doi: 10.1107/S205698901500184X

Table 2. Experimental details.

Crystal data
Chemical formula [Rh(C10H15)Cl(C13H12ClN3)]Cl
M r 554.74
Crystal system, space group Orthorhombic, P b c a
Temperature (K) 173
a, b, c () 13.0774(5), 13.4537(5), 26.5153(9)
V (3) 4665.1(3)
Z 8
Radiation type Mo K
(mm1) 1.09
Crystal size (mm) 0.21 0.20 0.13
 
Data collection
Diffractometer STOE IPDS diffractometer
Absorption correction Empirical (using intensity measurements) (DIFABS; Walker Stuart, 1983)
T min, T max 0.629, 0.890
No. of measured, independent and observed [I > 2(I)] reflections 82717, 6320, 4619
R int 0.074
(sin /)max (1) 0.687
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.032, 0.054, 0.96
No. of reflections 6320
No. of parameters 281
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.48, 0.62

Computer programs: IPDS EXPOSE (Stoe Cie, 2000), IPDS CELL (Stoe Cie, 2000), IPDS INTEGRATE (Stoe Cie, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-32 (Farrugia, 2012).