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. 2018 Oct 2;74(Pt 11):1532–1535. doi: 10.1107/S2056989018013610

Table 3. Experimental details.

Crystal data
Chemical formula [CoCd(C9H10NO2)3Cl2]·H2O
M r 752.78
Crystal system, space group Monoclinic, P21/n
Temperature (K) 100
a, b, c (Å) 9.4036 (2), 21.1588 (4), 15.0319 (3)
β (°) 102.221 (2)
V3) 2923.10 (10)
Z 4
Radiation type Cu Kα
μ (mm−1) 12.38
Crystal size (mm) 0.29 × 0.07 × 0.02
 
Data collection
Diffractometer Oxford Diffraction Gemini
Absorption correction Analytical (CrysAlis PRO; Rigaku OD, 2015)
T min, T max 0.216, 0.808
No. of measured, independent and observed [I > 2σ(I)] reflections 25774, 5222, 4362
R int 0.060
(sin θ/λ)max−1) 0.599
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.117, 1.02
No. of reflections 5222
No. of parameters 382
No. of restraints 2
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 2.10, −0.76

Computer programs: CrysAlis PRO (Rigaku OD, 2015), SIR92 (Altomare et al., 1994), SHELXL2014 (Sheldrick, 2015), DIAMOND (Brandenburg, 1999). Mercury (Macrae et al., 2006) and WinGX (Farrugia, 2012).