| Crystal data |
| Chemical formula |
[Cu4Cl6O(C13H9N)4]·CH2Cl2
|
|
M
r
|
1284.63 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
150 |
|
a, b, c (Å) |
12.7166 (2), 14.4366 (2), 16.4038 (3) |
| α, β, γ (°) |
105.024 (1), 105.935 (1), 102.999 (1) |
|
V (Å3) |
2650.81 (8) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
2.03 |
| Crystal size (mm) |
0.15 × 0.12 × 0.12 |
| |
| Data collection |
| Diffractometer |
Nonius Kappa CCD |
| Absorption correction |
Multi-scan (SORTAV; Blessing 1995 ▸) |
|
T
min, T
max
|
0.548, 0.572 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
50117, 12164, 8495 |
|
R
int
|
0.060 |
| (sin θ/λ)max (Å−1) |
0.651 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.049, 0.127, 1.02 |
| No. of reflections |
12164 |
| No. of parameters |
631 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.89, −0.99 |
