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. 2016 Jan 23;72(Pt 2):226–228. doi: 10.1107/S2056989016000943

Table 2. Experimental details.

Crystal data
Chemical formula [Cd(C8H6NO4)2(C3H10N2)2]
M r 620.94
Crystal system, space group Monoclinic, P21/c
Temperature (K) 293
a, b, c (Å) 14.6943 (5), 11.1227 (3), 8.3523 (3)
β (°) 105.778 (4)
V3) 1313.67 (7)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.89
Crystal size (mm) 0.44 × 0.41 × 0.10
 
Data collection
Diffractometer Agilent Xcalibur Eos
Absorption correction Multi-scan (CrysAlis PRO; Agilent, 2013)
T min, T max 0.923, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 9750, 2400, 1911
R int 0.027
(sin θ/λ)max−1) 0.602
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.025, 0.056, 1.06
No. of reflections 2400
No. of parameters 170
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.27, −0.26

Computer programs: CrysAlis PRO (Agilent, 2013), OLEX2.solve (Bourhis et al., 2015), SHELXL97 (Sheldrick, 2008)and OLEX2 (Dolomanov et al., 2009).