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. 2021 Dec 2;6(Pt 12):x211259. doi: 10.1107/S2414314621012591

Table 2. Experimental details.

Crystal data
Chemical formula [RuCl2(C10H14)(C21H21O3P)]
M r 658.53
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 100
a, b, c (Å) 12.4069 (17), 14.0221 (19), 16.934 (2)
α, β, γ (°) 91.459 (3), 91.205 (3), 90.613 (3)
V3) 2944.2 (7)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.80
Crystal size (mm) 0.58 × 0.28 × 0.21
 
Data collection
Diffractometer Bruker APEX DUO 4K-CCD
Absorption correction Multi-scan SADABS (Bruker, 2008)
T min, T max 0.654, 0.850
No. of measured, independent and observed [I > 2σ(I)] reflections 88599, 14838, 13368
R int 0.053
(sin θ/λ)max−1) 0.674
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.070, 0.181, 1.09
No. of reflections 14838
No. of parameters 698
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 3.95, −1.95

Computer programs: APEX2 (Bruker, 2011), SAINT and XPREP (Bruker, 2008), SIR97 (Altomare et al., 1999), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg & Putz, 2005), publCIF (Westrip, 2010) and WinGX (Farrugia, 2012).