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. 2016 Feb 17;72(Pt 3):358–362. doi: 10.1107/S2056989016002206

Table 2. Experimental details.

Crystal data
Chemical formula [Re(C10H6NO2)(C7H11N)(CO)3]
M r 551.55
Crystal system, space group Monoclinic, P21/c
Temperature (K) 170
a, b, c (Å) 7.1529 (1), 29.5703 (5), 9.6309 (2)
β (°) 105.572 (1)
V3) 1962.29 (6)
Z 4
Radiation type Cu Kα
μ (mm−1) 12.41
Crystal size (mm) 0.49 × 0.12 × 0.04
 
Data collection
Diffractometer Rigaku R-AXIS SPIDER IPDS
Absorption correction Multi-scan (CrystalClear; Rigaku 2005)
T min, T max 0.374, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 21436, 3283, 2723
R int 0.069
(sin θ/λ)max−1) 0.588
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.038, 0.102, 1.17
No. of reflections 3283
No. of parameters 253
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.30, −1.43

Computer programs: CrystalClear (Rigaku, 2005), SHELXS97 and SHELXTL (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), DIAMOND (Crystal Impact, 2012) and PLATON (Spek, 2009).