| Crystal data |
| Chemical formula |
[Ir(C27H29N5)Cl(C10H8N2)](CF3O3S)2
|
|
M
r
|
1105.52 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
10.7731 (6), 13.1932 (6), 17.0021 (9) |
| α, β, γ (°) |
104.530 (2), 96.3822 (16), 110.8357 (15) |
|
V (Å3) |
2131.96 (19) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
3.37 |
| Crystal size (mm) |
0.21 × 0.11 × 0.09 |
| |
| Data collection |
| Diffractometer |
Bruker AXS D8 Quest CMOS diffractometer |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2014 ▸) |
|
T
min, T
max
|
0.580, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
32148, 12026, 9498 |
|
R
int
|
0.048 |
| (sin θ/λ)max (Å−1) |
0.715 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.042, 0.081, 1.03 |
| No. of reflections |
12026 |
| No. of parameters |
634 |
| No. of restraints |
171 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
3.37, −1.91 |
