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. 2022 Feb 10;78(Pt 3):317–321. doi: 10.1107/S2056989022001475

Table 3. Experimental details.

Crystal data
Chemical formula [Zn(C9H16NO3)2]
M r 437.82
Crystal system, space group Monoclinic, P21/c
Temperature (K) 123
a, b, c (Å) 14.6212 (4), 14.8002 (4), 20.1288 (7)
β (°) 101.719 (3)
V3) 4265.0 (2)
Z 8
Radiation type Cu Kα
μ (mm−1) 1.89
Crystal size (mm) 0.45 × 0.09 × 0.06
 
Data collection
Diffractometer Xcalibur, Ruby, Gemini
Absorption correction Analytical (CrysAlis PRO; Rigaku OD, 2015)
T min, T max 0.484, 0.908
No. of measured, independent and observed [I > 2σ(I)] reflections 17610, 8591, 6698
R int 0.089
(sin θ/λ)max−1) 0.629
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.111, 0.277, 1.06
No. of reflections 8591
No. of parameters 537
No. of restraints 78
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 4.24, −0.65

Computer programs: CrysAlis PRO (Rigaku OD, 2015), SHELXS97 (Sheldrick, 2008), SHELXL2018/3 (Sheldrick, 2015), SHELXTL (Sheldrick, 2008).