| Crystal data |
| Chemical formula |
[HgCl2(C26H25BrN4)] |
|
M
r
|
744.90 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
123 |
|
a, b, c (Å) |
9.50481 (18), 13.3872 (2), 20.3322 (4) |
| β (°) |
93.0955 (19) |
|
V (Å3) |
2583.36 (9) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
14.57 |
| Crystal size (mm) |
0.37 × 0.09 × 0.03 |
| |
| Data collection |
| Diffractometer |
Agilent Xcalibur, Ruby, Gemini |
| Absorption correction |
Analytical [CrysAlis PRO (Agilent, 2012 ▸) based on expressions derived by Clark & Reid (1995 ▸)] |
|
T
min, T
max
|
0.331, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
9778, 5217, 4596 |
|
R
int
|
0.034 |
| (sin θ/λ)max (Å−1) |
0.628 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.038, 0.104, 1.07 |
| No. of reflections |
5217 |
| No. of parameters |
300 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
1.34, −1.88 |
