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. 2017 May 23;73(Pt 6):871–875. doi: 10.1107/S2056989017007095

Table 3. Experimental details.

Crystal data
Chemical formula [Ni(C19H13N3O)2]Cl2·10H2O
M r 908.42
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 296
a, b, c (Å) 10.351 (7), 11.894 (8), 19.070 (13)
α, β, γ (°) 76.33 (1), 88.582 (12), 67.077 (11)
V3) 2095 (2)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.66
Crystal size (mm) 0.23 × 0.18 × 0.15
 
Data collection
Diffractometer Bruker SMART CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 2012)
T min, T max 0.864, 0.908
No. of measured, independent and observed [I > 2σ(I)] reflections 10779, 7382, 5322
R int 0.029
(sin θ/λ)max−1) 0.597
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.050, 0.144, 1.07
No. of reflections 7382
No. of parameters 546
No. of restraints 75
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.42, −0.53

Computer programs: SMART and SAINT (Bruker, 2012), SHELXT (Sheldrick, 2015a ); SHELXL2014 (Sheldrick, 2015b ), OLEX2(Dolomanov et al., 2009), DIAMOND (Brandenburg & Putz, 2008) and publCIF (Westrip, 2010).