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. 2020 Sep 4;76(Pt 10):1562–1565. doi: 10.1107/S2056989020011834

Table 2. Experimental details.

Crystal data
Chemical formula [Ti(C10H13O2)2Cl2]
M r 449.21
Crystal system, space group Monoclinic, C2/c
Temperature (K) 100
a, b, c (Å) 29.3802 (19), 10.8106 (7), 13.6002 (9)
β (°) 91.214 (3)
V3) 4318.7 (5)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.67
Crystal size (mm) 0.21 × 0.04 × 0.04
 
Data collection
Diffractometer Bruker D8 Venture Photon 2
Absorption correction Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.923, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 18758, 4007, 3053
R int 0.057
(sin θ/λ)max−1) 0.606
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.048, 0.106, 1.16
No. of reflections 4007
No. of parameters 250
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.43, −0.40

Computer programs: APEX3 (Bruker, 2017), SAINT (Bruker, 2013), SHELXT2016 (Sheldrick, 2015a ), SHELXL2016 (Sheldrick, 2015b ), Mercury (Macrae et al., 2020) and SHELXTL (Sheldrick, 2008).