Table 2. Experimental details.
Crystal data | |
Chemical formula | [Cu2Cl4(C5H10N2O2)2(C2H3N)2] |
M r | 659.33 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 293 |
a, b, c (Å) | 11.3934 (4), 15.9822 (5), 7.6498 (3) |
β (°) | 106.226 (4) |
V (Å3) | 1337.48 (9) |
Z | 2 |
Radiation type | Mo Kα |
μ (mm−1) | 2.03 |
Crystal size (mm) | 0.45 × 0.2 × 0.1 |
Data collection | |
Diffractometer | Rigaku Xcalibur, Eos |
Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2021 ▸) |
T min, T max | 0.839, 1.000 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 9132, 3062, 2380 |
R int | 0.029 |
(sin θ/λ)max (Å−1) | 0.666 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.036, 0.083, 1.04 |
No. of reflections | 3062 |
No. of parameters | 158 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.30, −0.34 |