| Crystal data |
| Chemical formula |
[Ir(C8H12)(C7H12N2)(C18H15P)]BF4
|
|
M
r
|
773.64 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
9.9795 (2), 10.2191 (2), 17.4844 (4) |
| α, β, γ (°) |
98.173 (2), 98.654 (2), 116.906 (2) |
|
V (Å3) |
1526.60 (6) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
4.48 |
| Crystal size (mm) |
0.13 × 0.1 × 0.08 |
| |
| Data collection |
| Diffractometer |
Rigaku XtaLAB Synergy-S |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2025 ▸) |
|
Tmin, Tmax
|
0.719, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
38499, 7566, 6931 |
|
R
int
|
0.047 |
| (sin θ/λ)max (Å−1) |
0.667 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.023, 0.048, 1.07 |
| No. of reflections |
7566 |
| No. of parameters |
418 |
| No. of restraints |
116 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.89, −0.85 |
