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. 2021 Jun 30;77(Pt 7):749–754. doi: 10.1107/S2056989021006381

Table 2. Experimental details.

Crystal data
Chemical formula [Ru(CN)(C5H5)2(C6H12N3P)4]2[ReBr4(NO)(CH4O)0.5(C2H6O)0.5]2
M r 3123.73
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 12.6027 (4), 17.7075 (6), 23.0252 (9)
β (°) 101.914 (1)
V3) 5027.7 (3)
Z 2
Radiation type Mo Kα
μ (mm−1) 6.35
Crystal size (mm) 0.48 × 0.10 × 0.03
 
Data collection
Diffractometer Bruker D8 venture diffractometer
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
Tmin, Tmax 0.485, 0.751
No. of measured, independent and observed [I > 2σ(I)] reflections 56882, 8565, 6494
R int 0.079
(sin θ/λ)max−1) 0.589
 
Refinement
R[F2 > 2σ(F 2)], wR(F 2), S 0.044, 0.118, 0.99
No. of reflections 8565
No. of parameters 572
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.45, −1.34

Computer programs: APEX2 (Bruker, 2007), SAINT (Bruker, 2013), SHELXT2014/4 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae et al., 2020).