| Crystal data |
| Chemical formula |
[ZnBr2(C22H19ClN4O)] |
|
M
r
|
616.05 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
173 |
|
a, b, c (Å) |
7.6779 (3), 8.7860 (4), 18.1379 (8) |
| α, β, γ (°) |
89.460 (6), 89.617 (6), 66.878 (5) |
|
V (Å3) |
1125.21 (9) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
4.78 |
| Crystal size (mm) |
0.35 × 0.20 × 0.15 |
| |
| Data collection |
| Diffractometer |
Rigaku R-AXIS RAPID |
| Absorption correction |
Multi-scan (ABSCOR; Higashi, 1995 ▸) |
|
T
min, T
max
|
0.316, 0.487 |
| No. of measured, independent and observed [F
2 > 2.0σ(F
2)] reflections |
11009, 5114, 4386 |
|
R
int
|
0.017 |
| (sin θ/λ)max (Å−1) |
0.648 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.027, 0.059, 1.07 |
| No. of reflections |
5114 |
| No. of parameters |
284 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.59, −0.65 |
