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. 2020 Apr 3;76(Pt 5):615–620. doi: 10.1107/S2056989020004375

Table 7. Experimental details.

  1a 1b 2
Crystal data
Chemical formula [Ga(C26H24N3O3)]·C5H5N [Ga(C26H24N3O3)]·0.75C2H3N [In(C26H24N3O3)]·CH2Cl2
M r 575.30 526.99 626.23
Crystal system, space group Monoclinic, P21/c Triclinic, P Inline graphic Monoclinic, P21/c
Temperature (K) 100 173 100
a, b, c (Å) 13.359 (2), 20.413 (3), 9.7470 (15) 10.9053 (6), 14.1157 (8), 16.2324 (9) 10.0704 (2), 16.2514 (4), 16.1749 (4)
α, β, γ (°) 90, 98.326 (3), 90 93.915 (1), 103.120 (1), 97.600 (1) 90, 99.130 (2), 90
V3) 2629.9 (7) 2399.6 (2) 2613.62 (11)
Z 4 4 4
Radiation type Mo Kα Mo Kα Mo Kα
μ (mm−1) 1.09 1.18 1.14
Crystal size (mm) 0.24 × 0.12 × 0.10 0.24 × 0.24 × 0.20 0.34 × 0.14 × 0.07
 
Data collection
Diffractometer Bruker SMART APEXII CCD platform Bruker SMART APEXII CCD platform XtaLAB Synergy, Dualflex, HyPix
Absorption correction Multi-scan (SADABS; Sheldrick, 1996) Multi-scan (SADABS; Sheldrick, 1996) Multi-scan (CrysAlis PRO; Rigaku OD, 2019)
T min, T max 0.645, 0.748 0.666, 0.748 0.676, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 60216, 12727, 7432 52020, 20841, 12632 31229, 8621, 7401
R int 0.108 0.056 0.037
(sin θ/λ)max−1) 0.833 0.806 0.768
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.050, 0.120, 1.00 0.048, 0.119, 1.00 0.029, 0.064, 1.06
No. of reflections 12727 20841 8621
No. of parameters 353 653 326
No. of restraints 0 12 0
H-atom treatment H-atom parameters constrained H-atom parameters constrained H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.63, −0.60 0.62, −0.55 0.62, −0.53

Computer programs: APEX2 (Bruker, 2011), SAINT (Bruker, 2009), CrysAlis PRO (Rigaku OD, 2019), SIR97 (Altomare et al., 1999), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), and OLEX2 (Dolomanov et al., 2009).