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. 2018 Nov 13;74(Pt 12):1790–1794. doi: 10.1107/S2056989018015876

Table 3. Experimental details.

Crystal data
Chemical formula [Al2La2(CH3)6(C20H15O2)4(CH3O)2]·4C7H8
M r 2001.86
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 100
a, b, c (Å) 13.8404 (6), 14.2089 (6), 14.6084 (7)
α, β, γ (°) 73.198 (1), 81.968 (1), 63.523 (1)
V3) 2461.54 (19)
Z 1
Radiation type Mo Kα
μ (mm−1) 0.93
Crystal size (mm) 0.43 × 0.17 × 0.14
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2008)
T min, T max 0.713, 0.848
No. of measured, independent and observed [I > 2σ(I)] reflections 30779, 13082, 10174
R int 0.065
(sin θ/λ)max−1) 0.682
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.049, 0.111, 1.01
No. of reflections 13082
No. of parameters 596
No. of restraints 2
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.25, −1.36

Computer programs: APEX2 (Bruker, 2008), SAINT (Bruker, 2008), SHELXS97 (Sheldrick, 2008), SHELXL2017 (Sheldrick, 2015), SHELXTL (Sheldrick, 2008), SHELXTL (Sheldrick, 2015) and publCIF (Westrip, 2010).