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. 2015 Jan 17;71(Pt 2):165–167. doi: 10.1107/S205698901500050X

Table 2. Experimental details.

Crystal data
Chemical formula [Mn(C44H28N4)Cl]2C5H6N2
M r 891.33
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 180
a, b, c () 9.9617(4), 12.1247(6), 18.9100(9)
, , () 92.441(3), 94.699(2), 108.186(2)
V (3) 2157.01(17)
Z 2
Radiation type Mo K
(mm1) 0.42
Crystal size (mm) 0.48 0.38 0.16
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2006)
T min, T max 0.701, 0.746
No. of measured, independent and observed [I > 2(I)] reflections 35821, 8499, 6523
R int 0.041
(sin /)max (1) 0.617
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.041, 0.107, 1.05
No. of reflections 8487
No. of parameters 577
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.49, 0.37

Computer programs: APEX2 and SAINT (Bruker, 2006), SIR2004 (Burla et al., 2005), SHELXL97 (Sheldrick, 2008, 2015), ORTEPIII (Burnett Johnson, 1996), ORTEP-3 for Windows and WinGX (Farrugia, 2012) and Mercury (Macrae et al., 2008).