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. 2019 Jan 1;75(Pt 1):64–67. doi: 10.1107/S2056989018017516

Table 2. Experimental details.

Crystal data
Chemical formula [Er2(C6H2O4)3(H2O)6]·18H2O
M r 1181.13
Crystal system, space group Trigonal, R Inline graphic
Temperature (K) 296
a, c (Å) 14.0947 (3), 18.0603 (5)
V3) 3107.18 (13)
Z 3
Radiation type Mo Kα
μ (mm−1) 4.13
Crystal size (mm) 0.28 × 0.22 × 0.2
 
Data collection
Diffractometer Bruker D8 QUEST CMOS
Absorption correction Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.677, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 32360, 2522, 2108
R int 0.065
(sin θ/λ)max−1) 0.758
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.023, 0.042, 1.08
No. of reflections 2522
No. of parameters 118
No. of restraints 8
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 1.67, −1.39

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ) and OLEX2 (Dolomanov et al., 2009).