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. 2015 Oct 31;71(Pt 11):1397–1400. doi: 10.1107/S2056989015020058

Table 2. Experimental details.

Crystal data
Chemical formula [Ni(C48H60N4O2)]
M r 783.71
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 100
a, b, c () 11.9496(6), 13.6692(6), 14.3909(7)
, , () 72.018(2), 69.051(2), 89.558(2)
V (3) 2074.03(17)
Z 2
Radiation type Mo K
(mm1) 0.51
Crystal size (mm) 0.30 0.14 0.03
 
Data collection
Diffractometer Bruker SMART APEXII area detector
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.704, 0.745
No. of measured, independent and observed [I > 2(I)] reflections 50235, 7609, 4733
R int 0.103
(sin /)max (1) 0.603
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.044, 0.088, 0.92
No. of reflections 7609
No. of parameters 525
No. of restraints 1
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.85, 0.73

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXT (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ), XP in SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2010).