| Crystal data |
| Chemical formula |
[Au(C6H7N)2][AuBr2] |
[Au(C6H7N)2][AuBr2] |
[Au(C7H9N)2][AuCl2] |
[Au(C7H9N)2][AuBr2] |
(C5H5BrN)[AuBr2]·C5H4BrN |
|
M
r
|
740.00 |
740.00 |
679.14 |
768.06 |
673.80 |
| Crystal system, space group |
Monoclinic, C2/c
|
Monoclinic, C2/m
|
Triclinic, P
|
Triclinic, P
|
Triclinic, P
|
| Temperature (K) |
100 |
100 |
100 |
100 |
100 |
|
a, b, c (Å) |
16.3717 (7), 6.3844 (3), 16.1850 (8) |
16.7380 (6), 6.44097 (13), 8.1923 (3) |
6.7718 (3), 8.5627 (5), 15.1064 (8) |
6.8343 (2), 8.6676 (3), 15.4049 (6) |
7.9931 (4), 8.4672 (3), 11.3923 (5) |
| α, β, γ (°) |
90, 116.649 (6), 90 |
90, 120.415 (5), 90 |
105.356 (5), 90.788 (4), 96.311 (4) |
105.720 (3), 90.741 (3), 98.242 (3) |
87.202 (4), 74.635 (4), 81.406 (4) |
|
V (Å3) |
1512.00 (13) |
761.65 (5) |
838.71 (8) |
868.05 (6) |
735.09 (6) |
|
Z
|
4 |
2 |
2 |
2 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
24.65 |
24.47 |
17.78 |
21.48 |
20.86 |
| Crystal size (mm) |
0.25 × 0.06 × 0.02 |
0.15 × 0.15 × 0.10 |
0.15 × 0.15 × 0.01 |
0.15 × 0.10 × 0.03 |
0.15 × 0.10 × 0.04 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Xcalibur, Eos |
Oxford Diffraction Xcalibur, Eos |
Oxford Diffraction Xcalibur, Eos |
Oxford Diffraction Xcalibur, Eos |
Oxford Diffrection Xcalibur, Eos |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2014 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2014 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2014 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2014 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2014 ▸) |
|
Tmin, Tmax
|
0.275, 1.000 |
0.487, 1.000 |
0.330, 1.000 |
0.256, 1.000 |
0.241, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
19772, 2268, 1793 |
25258, 1255, 1162 |
44852, 5018, 4253 |
47547, 5187, 4424 |
42320, 4361, 3917 |
|
R
int
|
0.041 |
0.034 |
0.054 |
0.055 |
0.044 |
| θ values (°) |
θmax = 30.9, θmin = 2.8 |
θmax = 30.9, θmin = 2.8 |
θmax = 31.0, θmin = 2.5 |
θmax = 30.9, θmin = 2.5 |
θmax = 30.9, θmin = 2.4 |
| (sin θ/λ)max (Å−1) |
0.722 |
0.723 |
0.724 |
0.722 |
0.723 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.019, 0.041, 1.10 |
0.013, 0.029, 1.12 |
0.022, 0.040, 1.06 |
0.026, 0.054, 1.05 |
0.023, 0.048, 1.07 |
| No. of reflections |
2268 |
1255 |
5018 |
5187 |
4361 |
| No. of parameters |
84 |
65 |
189 |
188 |
158 |
| No. of restraints |
0 |
1 |
0 |
0 |
0 |
| H-atom treatment |
H-atom parameters constrained |
H atoms treated by a mixture of independent and constrained refinement |
H-atom parameters constrained |
H-atom parameters constrained |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
1.31, −1.16 |
1.02, −0.93 |
1.04, −0.87 |
1.24, −1.80 |
1.15, −1.49 |
| Extinction method |
None |
SHELXL2019/3 (Sheldrick, 2015 ▸), Fc* = kFc[1 + 0.001xFc2λ3/sin(2θ)]−1/4
|
SHELXL2019/3 (Sheldrick, 2015 ▸), Fc* = kFc[1 + 0.001xFc2λ3/sin(2θ)]−1/4
|
None |
None |
| Extinction coefficient |
– |
0.00089 (6) |
0.00055 (6) |
– |
– |
