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. 2015 Feb 13;71(Pt 3):272–274. doi: 10.1107/S2056989015002807

Table 2. Experimental details.

Crystal data
Chemical formula [ZnCl2(C15H12N2)2]
M r 576.80
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 296
a, b, c () 9.2410(6), 9.2595(5), 16.4106(10)
, , () 87.770(1), 88.819(1), 72.823(1)
V (3) 1340.50(14)
Z 2
Radiation type Mo K
(mm1) 1.14
Crystal size (mm) 0.40 0.30 0.30
 
Data collection
Diffractometer Bruker APEXII CCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 2008)
T min, T max 0.658, 0.726
No. of measured, independent and observed [I > 2(I)] reflections 8564, 5308, 4067
R int 0.025
(sin /)max (1) 0.619
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.037, 0.091, 1.00
No. of reflections 5308
No. of parameters 334
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.31, 0.35

Computer programs: APEX2 and SAINT (Bruker, 2008), SHELXS97 and SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2006) and publCIF (Westrip, 2010).