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. 2018 Feb 2;74(Pt 3):278–281. doi: 10.1107/S2056989018001743

Table 2. Experimental details.

Crystal data
Chemical formula Ag[Cr(C11H14N2O8)]·3H2O
M r 516.16
Crystal system, space group Orthorhombic, P212121
Temperature (K) 260
a, b, c (Å) 8.7800 (18), 11.443 (2), 16.573 (3)
V3) 1665.1 (6)
Z 4
Radiation type Synchrotron, λ = 0.610 Å
μ (mm−1) 1.25
Crystal size (mm) 0.17 × 0.13 × 0.07
 
Data collection
Diffractometer ADSC Q210 CCD area detector
Absorption correction Empirical (using intensity measurements) (HKL3000sm SCALEPACK; Otwinowski & Minor, 1997)
T min, T max 0.843, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 14937, 4807, 4738
R int 0.041
(sin θ/λ)max−1) 0.706
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.020, 0.051, 1.07
No. of reflections 4807
No. of parameters 253
No. of restraints 9
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.41, −0.65
Absolute structure Flack x determined using 2027 quotients [(I +)−(I )]/[(I +)+(I )] (Parsons et al., 2013)
Absolute structure parameter −0.008 (6)

Computer programs: PAL BL2D-SMDC (Shin et al., 2016), HKL3000sm (Otwinowski & Minor, 1997), SHELXT2014 (Sheldrick, 2015a ), SHELXL2016 (Sheldrick, 2015b ), DIAMOND (Putz & Brandenburg, 2014) and publCIF (Westrip, 2010).