| Crystal data |
| Chemical formula |
C26H22N62+·2(Cl−)·6(H2O) |
|
M
r
|
597.49 |
| Crystal system, space group |
Monoclinic, P21/n
|
| Temperature (K) |
150 |
|
a, b, c (Å) |
9.0061 (7), 15.1053 (10), 21.2487 (14) |
| β (°) |
96.752 (7) |
|
V (Å3) |
2870.6 (3) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.28 |
| Crystal size (mm) |
0.38 × 0.09 × 0.05 |
| |
| Data collection |
| Diffractometer |
New Gemini, Dual, Cu at home/near, Atlas |
| Absorption correction |
Analytical (CrysAlis PRO; Rigaku OD, 2026 ▸) |
|
Tmin, Tmax
|
0.933, 0.980 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
6542, 6542, 3396 |
|
R
int
|
? |
| (sin θ/λ)max (Å−1) |
0.678 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.051, 0.091, 0.86 |
| No. of reflections |
6542 |
| No. of parameters |
380 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.27, −0.34 |
