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. 2021 May 7;77(Pt 6):592–595. doi: 10.1107/S2056989021004734

Table 2. Experimental details.

Crystal data
Chemical formula K+·C6H16B
M r 138.10
Crystal system, space group Orthorhombic, P212121
Temperature (K) 100
a, b, c (Å) 7.4758 (3), 7.6682 (6), 14.8010 (12)
V3) 848.48 (10)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.54
Crystal size (mm) 0.3 × 0.2 × 0.15
 
Data collection
Diffractometer Oxford Diffraction Xcalibur, Eos
Absorption correction Multi-scan (CrysAlis PRO; Agilent, 2013)
T min, T max 0.976, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 13206, 2441, 2182
R int 0.060
(sin θ/λ)max−1) 0.704
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.036, 0.068, 1.04
No. of reflections 2441
No. of parameters 80
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.20, −0.23
Absolute structure Flack x determined using 806 quotients [(I +)−(I )]/[(I +)+(I )] (Parsonset al., 2013)
Absolute structure parameter −0.05 (3)

Computer programs: CrysAlis PRO (Agilent, 2013), SHELXS97 (Sheldrick, 2008), SHELXL2018/3 (Sheldrick, 2015) and XP (Siemens, 1994).