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. 2016 Nov 8;72(Pt 12):1768–1770. doi: 10.1107/S2056989016017618

Table 3. Experimental details.

Crystal data
Chemical formula [Ir(C11H8N)2(C18H14N)]
M r 744.87
Crystal system, space group Monoclinic, P21/c
Temperature (K) 173
a, b, c (Å) 19.8293 (3), 8.6464 (1), 18.1551 (3)
β (°) 106.715 (1)
V3) 2981.21 (8)
Z 4
Radiation type Mo Kα
μ (mm−1) 4.51
Crystal size (mm) 0.30 × 0.25 × 0.17
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.521, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 27408, 6855, 6080
R int 0.033
(sin θ/λ)max−1) 0.651
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.026, 0.062, 1.02
No. of reflections 6855
No. of parameters 397
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.77, −0.71

Computer programs: APEX2 and SAINT (Bruker, 2013), SHELXS97 and SHELXTL (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015) and DIAMOND (Brandenburg, 2010).