| Crystal data |
| Chemical formula |
[ZnCl2(C20H17BrN2)]·0.5CH2Cl2
|
|
M
r
|
544.02 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
110 |
|
a, b, c (Å) |
13.7338 (3), 11.25476 (16), 15.2274 (3) |
| β (°) |
114.654 (3) |
|
V (Å3) |
2139.14 (14) |
|
Z
|
4.0 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
3.40 |
| Crystal size (mm) |
0.55 × 0.40 × 0.32 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Xcalibur (Ruby, Gemini ultra) |
| Absorption correction |
Analytical (CrysAlis PRO; Oxford Diffraction, 2007 ▸) |
|
T
min, T
max
|
0.322, 0.457 |
| No. of measured, independent and observed [I > 2.0σ(I)] reflections |
23484, 5308, 4127 |
|
R
int
|
0.036 |
| (sin θ/λ)max (Å−1) |
0.689 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.031, 0.080, 0.97 |
| No. of reflections |
5308 |
| No. of parameters |
263 |
| No. of restraints |
58 |
| H-atom treatment |
H-atom parameters not refined |
| Δρmax, Δρmin (e Å−3) |
1.67, −1.68 |
