Crystal data | ||
Chemical formula | C8H13Cl3N2Zn | |
Mr | 308.92 | |
Crystal system, space group | Monoclinic, P21/c | |
Temperature (K) | 296 | |
a, b, c (Å) | 8.020 (3), 11.529 (4), 13.973 (4) | |
β (˚) | 108.015 (2) | |
V (Å3) | 1228.6 (7) | |
Z | 4 | |
Radiation type | Mo Kα | |
µ (mm−1) | 2.62 | |
Crystal size (mm) | 0.17 × 0.11 × 0.09 | |
Data collection | ||
Diffractometer | Nonius Kappa CCD diffractometer | |
No. of measured, independent and observed [I > 2σ(I)] reflections | 8636, 2912, 2308 | |
Rint | 0.038 | |
(sin θ/λ)max (Å−1) | 0.657 | |
Refinement | ||
R[F2 > 2σ(F2)], wR(F2), S | 0.032, 0.090, 1.06 | |
No. of reflections | 2912 | |
No. of parameters | 131 | |
H-atom treatment | H-atom parameters constrained | |
Δρmax, Δρmin (e Å−3) | 0.46, −0.50 | |