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. 2018 Jul 31;74(Pt 8):1182–1185. doi: 10.1107/S2056989018010514

Table 2. Experimental details.

Crystal data
Chemical formula [Hf(C5HF6O2)4]
M r 1006.72
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 15.3042 (3), 20.0723 (4), 19.4935 (4)
β (°) 96.158 (1)
V3) 5953.7 (2)
Z 8
Radiation type Mo Kα
μ (mm−1) 3.70
Crystal size (mm) 0.23 × 0.22 × 0.19
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.661, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 211180, 14806, 12738
R int 0.044
(sin θ/λ)max−1) 0.668
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.031, 0.074, 1.10
No. of reflections 14806
No. of parameters 1039
No. of restraints 369
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 4.36, −1.89

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXT2014 (Sheldrick, 2015b ), SHELXL2014 (Sheldrick, 2015a ) and OLEX2 (Dolomanov et al., 2009).