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. 2014 Oct 8;70(Pt 11):305–308. doi: 10.1107/S160053681402159X

Table 2. Experimental details.

Crystal data
Chemical formula [NaNi(C18H18N2O4)(NO3)(CH4O)]
M r 502.09
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c () 7.207(1), 11.047(1), 13.619(1)
, , () 95.30(1), 99.81(1), 99.05(1)
V (3) 1047.2(2)
Z 2
Radiation type Mo K
(mm1) 1.00
Crystal size (mm) 0.4 0.2 0.2
 
Data collection
Diffractometer Nonius KappaCCD
Absorption correction Multi-scan (SADABS; Sheldrick, 2003)
T min, T max 0.690, 0.825
No. of measured, independent and observed [I > 2(I)] reflections 12718, 6501, 4324
R int 0.020
(sin /)max (1) 0.744
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.035, 0.081, 0.90
No. of reflections 6501
No. of parameters 292
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.50, 0.32

Computer programs: COLLECT (Nonius, 1999), DENZO/SCALEPACK (Otwinowski Minor, 1997), SHELXS97 and SHELXL2014 (Sheldrick, 2008), ORTEP-3 for Windows and WinGX (Farrugia, 2012).