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. 2015 Apr 18;71(Pt 5):516–519. doi: 10.1107/S2056989015007422

Table 2. Experimental details.

Crystal data
Chemical formula C26H26N20.5C8H10
M r 419.57
Crystal system, space group Monoclinic, P21/c
Temperature (K) 173
a, b, c () 8.7618(7), 29.450(2), 9.6569(8)
() 114.732(1)
V (3) 2263.2(3)
Z 4
Radiation type Mo K
(mm1) 0.07
Crystal size (mm) 0.35 0.21 0.13
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Sheldrick, 1996)
T min, T max 0.700, 0.746
No. of measured, independent and observed [I > 2(I)] reflections 25883, 5184, 4102
R int 0.032
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.048, 0.126, 1.06
No. of reflections 5184
No. of parameters 294
No. of restraints 321
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.51, 0.37

Computer programs: APEX2 and SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), Mercury (Macrae et al., 2008), enCIFer (Allen et al., 2004), and publCIF (Westrip, 2010).