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. 2024 Jul 31;80(Pt 8):894–909. doi: 10.1107/S2056989024007266
  5 6 7 8
Crystal data
Chemical formula [AuCl3(C7H9N)] [AuBr3(C7H9N)] [AuCl3(C7H9N)] [AuBr3(C7H9N)]·[AuBr3(C6H7N)]
M r 410.47 543.85 410.47 1073.67
Crystal system, space group Monoclinic, C2/c Triclinic, PInline graphic Monoclinic, C2/c Triclinic, PInline graphic
Temperature (K) 100 100 100 100
a, b, c (Å) 7.6240 (3), 15.9360 (6), 9.2538 (4) 8.2506 (3), 8.4726 (4), 9.4210 (4) 11.0184 (3), 10.6600 (2), 9.7760 (3) 9.1741 (9), 11.1922 (9), 11.4596 (7)
α, β, γ (°) 90, 112.333 (5), 90 113.828 (4), 103.543 (4), 98.368 (4) 90, 113.053 (3), 90 83.990 (6), 80.777 (6), 69.147 (8)
V (Å3) 1039.97 (8) 563.93 (5) 1056.55 (5) 1083.92 (16)
Z 4 2 4 2
Radiation type Mo Kα Mo Kα Mo Kα Mo Kα
μ (mm−1) 14.86 23.62 14.63 24.58
Crystal size (mm) 0.20 × 0.12 × 0.04 0.21 × 0.15 × 0.02 0.22 × 0.20 × 0.12 0.13 × 0.06 × 0.02
 
Data collection
Diffractometer Oxford Diffraction Xcalibur, Eos Oxford Diffraction Xcalibur, Eos Oxford Diffraction Xcalibur, Eos Oxford Diffraction Xcalibur, Eos
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2020 ▸) Analytical (CrysAlis PRO; Rigaku OD, 2020 ▸) Multi-scan (CrysAlis PRO; Rigaku OD, 2020 ▸) Multi-scan (CrysAlis PRO; Rigaku OD, 2020 ▸)
Tmin, Tmax 0.270, 1.000 0.050, 0.683 0.267, 1.000 0.052, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 13810, 1563, 1496 30785, 3392, 3017 15246, 1600, 1553 7479, 7479, 5015
R int 0.037 0.071 0.030 –
θ values (°) θmax = 30.9, θmin = 2.6 θmax = 31.1, θmin = 2.5 θmax = 31.1, θmin = 2.8 θmax = 28.3, θmin = 2.4
(sin θ/λ)max (Å−1) 0.722 0.727 0.726 0.667
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.014, 0.032, 1.07 0.027, 0.059, 1.06 0.013, 0.026, 1.12 0.035, 0.055, 0.82
No. of reflections 1563 3392 1600 7479
No. of parameters 58 111 59 212
H-atom treatment H-atom parameters constrained H-atom parameters constrained H-atom parameters constrained H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.26, −0.88 1.61, −1.50 0.83, −1.17 2.16, −1.91

Computer programs: CrysAlis PRO (Rigaku OD, 2020 ▸), SHELXS97 (Sheldrick, 2008 ▸), SHELXL2019/3 (Sheldrick, 2015 ▸) and XP (Bruker, 1998 ▸).