| Crystal data |
| Chemical formula |
C25H22N4
2+·2Br−·2H2O |
|
M
r
|
574.32 |
| Crystal system, space group |
Orthorhombic, P
n
m
a
|
| Temperature (K) |
220 |
|
a, b, c (Å) |
15.4863 (2), 22.2936 (3), 7.2100 (1) |
|
V (Å3) |
2489.22 (6) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
4.37 |
| Crystal size (mm) |
0.04 × 0.03 × 0.02 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Multi-scan CrysAlis PRO (Rigaku OD, 2021 ▸) |
|
T
min, T
max
|
0.671, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
25704, 2780, 2439 |
|
R
int
|
0.030 |
| (sin θ/λ)max (Å−1) |
0.639 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.036, 0.104, 1.09 |
| No. of reflections |
2780 |
| No. of parameters |
244 |
| No. of restraints |
8 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.99, −0.86 |
