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. 2015 Apr 22;71(Pt 5):536–539. doi: 10.1107/S2056989015007446

Table 1. Experimental details.

Crystal data
Chemical formula [Fe(C16H12NO2)2]
M r 556.38
Crystal system, space group Orthorhombic, P b c a
Temperature (K) 100
a, b, c () 10.6386(15), 7.3948(10), 30.554(4)
V (3) 2403.7(6)
Z 4
Radiation type Mo K
(mm1) 0.67
Crystal size (mm) 0.28 0.26 0.23
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2010)
T min, T max 0.833, 0.877
No. of measured, independent and observed [I > 2(I)] reflections 12444, 2999, 2247
R int 0.077
(sin /)max (1) 0.669
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.044, 0.117, 1.02
No. of reflections 2999
No. of parameters 178
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.34, 0.62

Computer programs: APEX2 and SAINT (Bruker, 2010), SHELXS97 and SHELXTL (Sheldrick, 2008) and SHELXL2013 (Sheldrick, 2015).