Skip to main content
. 2021 Oct 21;77(Pt 11):1140–1143. doi: 10.1107/S2056989021010902

Table 3. Experimental details.

Crystal data
Chemical formula [Ni2(CN)4(C10H24N4)]·2H2O
M r 457.86
Crystal system, space group Triclinic, P\overline{1}
Temperature (K) 180
a, b, c (Å) 7.7325 (6), 8.8809 (7), 15.7780 (12)
α, β, γ (°) 88.673 (6), 85.682 (7), 74.623 (7)
V3) 1041.74 (15)
Z 2
Radiation type Mo Kα
μ (mm−1) 1.83
Crystal size (mm) 0.30 × 0.20 × 0.06
 
Data collection
Diffractometer Rigaku Xcalibur, Eos
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2018)
T min, T max 0.852, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 7144, 3673, 2417
R int 0.036
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.059, 0.159, 1.07
No. of reflections 3673
No. of parameters 247
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.31, −0.42

Computer programs: CrysAlis PRO (Rigaku OD, 2018), SHELXT2018/2 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), Mercury (Macrae et al., 2020) and publCIF (Westrip, 2010).