| Crystal data |
| Chemical formula |
[Cu2Cl2(C15H11N3)2](CF3O3S)2
|
|
M
r
|
962.65 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
98 |
|
a, b, c (Å) |
7.2767 (2), 9.8394 (2), 13.1746 (3) |
| α, β, γ (°) |
106.667 (2), 91.226 (2), 105.453 (2) |
|
V (Å3) |
866.08 (4) |
|
Z
|
1 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
1.59 |
| Crystal size (mm) |
0.47 × 0.17 × 0.1 |
| |
| Data collection |
| Diffractometer |
XtaLAB AFC12 (RCD3): Kappa single |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2019 ▸) |
|
T
min, T
max
|
0.741, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
33748, 3982, 3889 |
|
R
int
|
0.047 |
| (sin θ/λ)max (Å−1) |
0.650 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.036, 0.094, 1.08 |
| No. of reflections |
3982 |
| No. of parameters |
253 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.55, −0.41 |
