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. 2014 Jul 19;70(Pt 8):80–83. doi: 10.1107/S1600536814014779

Table 3. Experimental details.

Crystal data
Chemical formula [Cd(C15H18N2)2(H2O)2](ClO4)2·C15H18N2·C2H6O
M r 1072.34
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 120
a, b, c (Å) 10.0618 (3), 10.1653 (3), 27.0304 (11)
α, β, γ (°) 87.163 (1), 85.001 (1), 66.509 (1)
V3) 2525.60 (15)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.60
Crystal size (mm) 0.10 × 0.07 × 0.05
 
Data collection
Diffractometer Nonius KappaCCD
Absorption correction Multi-scan (SADABS; Sheldrick, 2001)
T min, T max 0.942, 0.971
No. of measured, independent and observed [I > 2σ(I)] reflections 20841, 9645, 6116
R int 0.135
(sin θ/λ)max−1) 0.617
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.091, 0.221, 1.10
No. of reflections 9645
No. of parameters 608
No. of restraints 24
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 2.94, −1.34

Computer programs: COLLECT (Nonius, 1998), DENZO and SCALEPACK (Otwinowski & Minor, 1997), SORTAV (Blessing, 1995), SHELXS97 and SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 2012) and ATOMS (Dowty, 1998).