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. 2018 Nov 6;74(Pt 12):1700–1704. doi: 10.1107/S2056989018015359

Table 3. Experimental details.

Crystal data
Chemical formula [Ni(C10H24N2O4)(C4H4O4)]·4H2O
M r 483.16
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 10.1369 (6), 10.8182 (5), 19.7771 (12)
β (°) 90.172 (5)
V3) 2168.8 (2)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.96
Crystal size (mm) 0.64 × 0.53 × 0.42
 
Data collection
Diffractometer Stoe IPDS 2
Absorption correction Integration (X-RED32; Stoe & Cie, 2002)
T min, T max 0.605, 0.735
No. of measured, independent and observed [I > 2σ(I)] reflections 11333, 4472, 3581
R int 0.050
(sin θ/λ)max−1) 0.628
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.041, 0.113, 1.06
No. of reflections 4472
No. of parameters 283
No. of restraints 14
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.53, −0.43

Computer programs: X-AREA and X-RED (Stoe & Cie, 2002), SHELXT2014 (Sheldrick, 2015a ), SHELXL2018 (Sheldrick, 2015b ), ORTEP-3 for Windows and WinGX (Farrugia, 2012) and PLATON (Spek, 2009).