| Crystal data |
| Chemical formula |
[Mn2Cl4(C24H23N3)2(H2O)] |
|
M
r
|
976.60 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
294 |
|
a, b, c (Å) |
8.7491 (2), 13.2133 (3), 21.3793 (5) |
| α, β, γ (°) |
88.914 (2), 82.290 (2), 88.989 (2) |
|
V (Å3) |
2448.48 (10) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.78 |
| Crystal size (mm) |
0.4 × 0.15 × 0.05 |
| |
| Data collection |
| Diffractometer |
SuperNova, Single source at offset/far, Eos |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2024 ▸) |
|
Tmin, Tmax
|
0.606, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
50282, 9973, 7946 |
|
R
int
|
0.034 |
| (sin θ/λ)max (Å−1) |
0.625 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.044, 0.139, 0.86 |
| No. of reflections |
9973 |
| No. of parameters |
560 |
| No. of restraints |
18 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.86, −0.47 |
