Table 2. Experimental details.
Crystal data | |
Chemical formula | [Cu2Cl4(C22H26N2O)2] |
M r | 937.77 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 123 |
a, b, c (Å) | 11.1962 (8), 13.5321 (10), 15.5615 (8) |
β (°) | 107.705 (6) |
V (Å3) | 2246.0 (3) |
Z | 2 |
Radiation type | Mo Kα |
μ (mm−1) | 1.23 |
Crystal size (mm) | 0.10 × 0.08 × 0.05 |
Data collection | |
Diffractometer | Oxford Diffraction Xcalibur E |
Absorption correction | Multi-scan (CrysAlis PRO; Agilent, 2014 ▸) |
T min, T max | 0.993, 1.000 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 10241, 4960, 2814 |
R int | 0.049 |
(sin θ/λ)max (Å−1) | 0.676 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.062, 0.144, 1.05 |
No. of reflections | 4960 |
No. of parameters | 259 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.43, −0.32 |