| Crystal data |
| Chemical formula |
{Cu20Ir6Cl8(C21H24N2)6(C4H4N2)3]·3.18CH4O |
|
M
r
|
4876.63 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
111 |
|
a, b, c (Å) |
12.5708 (3), 14.8757 (5), 23.1383 (7) |
| α, β, γ (°) |
84.392 (3), 82.291 (2), 85.686 (2) |
|
V (Å3) |
4258.8 (2) |
|
Z
|
1 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
12.93 |
| Crystal size (mm) |
0.15 × 0.12 × 0.07 |
| |
| Data collection |
| Diffractometer |
SuperNova, Dual, Cu at home/near, HyPix |
| Absorption correction |
Analytical [CrysAlis PRO (Rigaku OD, 2024 ▸) using a multifaceted crystal model based on expressions derived by Clark & Reid (1995 ▸)] |
|
Tmin, Tmax
|
0.222, 0.519 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
45533, 15184, 13473 |
|
R
int
|
0.046 |
| (sin θ/λ)max (Å−1) |
0.597 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.054, 0.134, 1.08 |
| No. of reflections |
15184 |
| No. of parameters |
919 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
3.01, −2.57 |
