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. 2021 Mar 12;77(Pt 4):383–389. doi: 10.1107/S2056989021002425

Table 2. Experimental details.

Crystal data
Chemical formula [U(BH4)(C8H13Si)3]
M r 664.69
Crystal system, space group Triclinic, P\overline{1}
Temperature (K) 112
a, b, c (Å) 8.7530 (15), 12.217 (2), 13.657 (2)
α, β, γ (°) 94.159 (3), 96.016 (3), 103.256 (3)
V3) 1406.6 (4)
Z 2
Radiation type Mo Kα
μ (mm−1) 5.91
Crystal size (mm) 0.88 × 0.62 × 0.17
 
Data collection
Diffractometer Bruker D8 Quest with Photon II detector
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.413, 0.747
No. of measured, independent and observed [I > 2σ(I)] reflections 30231, 10686, 9355
R int 0.055
(sin θ/λ)max−1) 0.769
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.037, 0.102, 1.07
No. of reflections 10686
No. of parameters 274
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 3.87, −2.72

Computer programs: APEX3 and SAINT (Bruker, 2018), SHELXS97 (Sheldrick, 2008), SHELXL2018/3 (Sheldrick, 2015), and SHELXTL2018/3 (Sheldrick, 2008).