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. 2019 Feb 22;75(Pt 3):378–382. doi: 10.1107/S2056989019002378

Table 2. Experimental details.

Crystal data
Chemical formula [La2(C10H8O4)3(H2O)4]·8H2O
M r 1070.05
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c (Å) 9.1197 (2), 11.1231 (2), 11.9434 (2)
α, β, γ (°) 107.049 (1), 107.729 (1), 106.622 (1)
V3) 1005.21 (3)
Z 1
Radiation type Mo Kα
μ (mm−1) 2.18
Crystal size (mm) 0.08 × 0.06 × 0.05
 
Data collection
Diffractometer Nonius KappaCCD
No. of measured, independent and observed [I > 2σ(I)] reflections 4588, 4588, 3751
R int 0.045
(sin θ/λ)max−1) 0.649
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.030, 0.068, 1.03
No. of reflections 4588
No. of parameters 283
No. of restraints 18
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 1.76, −0.65

Computer programs: COLLECT (Bruker, 2004), DENZO and SCALEPACK (Otwinowski & Minor, 1997), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), DIAMOND (Brandenburg, 2001), WinGX (Farrugia, 2012).