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. 2015 May 28;71(Pt 6):709–711. doi: 10.1107/S2056989015009706

Table 3. Experimental details.

Crystal data
Chemical formula [Ni2(CN)4(C10H8N2)]
M r 377.68
Crystal system, space group Monoclinic, C2/c
Temperature (K) 293
a, b, c () 6.519(5), 16.698(5), 12.019(5)
() 90.852(5)
V (3) 1308.2(12)
Z 4
Radiation type Mo K
(mm1) 2.88
Crystal size (mm) 0.40 0.10 0.06
 
Data collection
Diffractometer Siemens SMART CCD
No. of measured, independent and observed [I > 2(I)] reflections 3858, 1156, 1039
R int 0.032
(sin /)max (1) 0.594
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.028, 0.074, 1.10
No. of reflections 1156
No. of parameters 118
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.71, 0.40

Computer programs: SMART and SAINT (Bruker, 2007), SHELXS97, SHELXL97and XP in SHELXTL (Sheldrick, 2008).