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. 2022 Jun 30;78(Pt 7):750–754. doi: 10.1107/S2056989022006624

Table 3. Experimental details.

Crystal data
Chemical formula [Ni(C10H24N4)(H2O)2]2[Ni(C10H24N4)(C27H24O9P3)2]·10H2O
M r 2200.09
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 160
a, b, c (Å) 9.8779 (5), 17.2467 (11), 17.6707 (11)
α, β, γ (°) 61.409 (6), 77.515 (5), 77.713 (5)
V3) 2559.7 (3)
Z 1
Radiation type Mo Kα
μ (mm−1) 0.72
Crystal size (mm) 0.40 × 0.10 × 0.10
 
Data collection
Diffractometer Rigaku Xcalibur Eos
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2020)
T min, T max 0.701, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 23737, 9657, 6598
R int 0.063
(sin θ/λ)max−1) 0.610
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.067, 0.161, 1.02
No. of reflections 9657
No. of parameters 629
No. of restraints 1
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.67, −0.46

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