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. 2014 Sep 24;70(Pt 10):242–245. doi: 10.1107/S1600536814020558

Table 3. Experimental details.

Crystal data
Chemical formula [Mn(C48H36N4)(N)]
M r 737.76
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 14.2619 (10), 8.6200 (11), 15.4685 (18)
β (°) 94.188 (7)
V3) 1896.6 (4)
Z 2
Radiation type Cu Kα
μ (mm−1) 3.14
Crystal size (mm) 0.17 × 0.11 × 0.03
 
Data collection
Diffractometer Bruker SMART APEX2 area detector
Absorption correction Multi-scan (SADABS; Bruker, 2012)
T min, T max 0.529, 0.662
No. of measured, independent and observed [I > 2σ(I)] reflections 30677, 3602, 3184
R int 0.050
(sin θ/λ)max−1) 0.610
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.051, 0.131, 1.03
No. of reflections 3602
No. of parameters 255
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.33, −0.38

Computer programs: APEX2 and SAINT-Plus (Bruker, 2014), SHELXT and SHELXL (Sheldrick, 2008), OLEX2 (Dolomanov et al., 2009), publCIF (Westrip, 2010) and GX (Guzei, 2013).