Crystal data | |
Chemical formula | 2(C7H11N2)・Cl4Cu |
Mr | 451.70 |
Crystal system, space group | Monoclinic, ˚C 2/c |
Temperature (K) | 100 |
a, b, c (Å) | 12.4356 (18), 12.0901 (17), 14.094 (2) |
β (˚) | 115.303 (2) |
V (Å3) | 1915.8 (5) |
Z | 4 |
Radiation type | MoKα |
µ (mm−1) | 1.70 |
Crystal size (mm) | 0.55 × 0.51 × 0.45 |
Data collection | |
Diffractometer | Bruker AXS SMART APEX CCD diffractometer |
Absorption correction | Multi-scan Apex2 v2011.2-0 (Bruker, 2011) |
Tmin, Tmax | 0.541, 0.746 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 11188, 3100, 2920 |
Rint | 0.016 |
(sin θ/λ)max (Å−1) | 0.746 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.021, 0.056, 1.07 |
No. of reflections | 3100 |
No. of parameters | 107 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e∙Å−3) | 0.50, −0.58 |