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. 2016 Apr 8;72(Pt 5):643–647. doi: 10.1107/S2056989016005521

Table 2. Experimental details.

Crystal data
Chemical formula [Ni(C6H15NO3)2](C7H5O3)2·4H2O
M r 703.37
Crystal system, space group Monoclinic, P21/n
Temperature (K) 293
a, b, c (Å) 8.40515 (12), 21.4397 (3), 9.48944 (14)
β (°) 106.1835 (15)
V3) 1642.27 (4)
Z 2
Radiation type Cu Kα
μ (mm−1) 1.50
Crystal size (mm) 0.32 × 0.14 × 0.12
 
Data collection
Diffractometer Agilent Xcalibur Ruby
Absorption correction Multi-scan (CrysAlis PRO; Agilent, 2014)
T min, T max 0.912, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 12555, 3399, 3066
R int 0.030
(sin θ/λ)max−1) 0.629
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.038, 0.115, 1.03
No. of reflections 3399
No. of parameters 226
No. of restraints 3
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.26, −0.44

Computer programs: CrysAlis PRO (Agilent, 2014), OLEX2 (Dolomanov et al., 2009) and SHELXL2014 (Sheldrick, 2015).