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. 2016 Mar 22;72(Pt 4):534–537. doi: 10.1107/S2056989016004394

Table 2. Experimental details.

Crystal data
Chemical formula [PdCl2(C11H9N)(C13H14N2)]
M r 530.75
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 183
a, b, c (Å) 7.8768 (3), 12.2939 (5), 12.6120 (4)
α, β, γ (°) 95.692 (3), 97.267 (3), 103.574 (3)
V3) 1167.09 (8)
Z 2
Radiation type Mo Kα
μ (mm−1) 1.04
Crystal size (mm) 0.39 × 0.27 × 0.1
 
Data collection
Diffractometer Agilent Xcalibur Ruby
Absorption correction Analytical (CrysAlis PRO; Agilent, 2012)
T min, T max 0.727, 0.916
No. of measured, independent and observed [I > 2σ(I)] reflections 28730, 7116, 6179
R int 0.037
(sin θ/λ)max−1) 0.714
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.027, 0.068, 1.04
No. of reflections 7116
No. of parameters 272
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.45, −0.42

Computer programs: CrysAlis PRO (Agilent, 2012), SUPERFLIP (Palatinus & Chapuis, 2007), SHELXL2013 (Sheldrick, 2015) and OLEX2 (Dolomanov et al., 2009).