| Crystal data |
| Chemical formula |
[Mn(C7H5MnN2O4)2(C7H6MnN2O4)2(H2O)2]·2H2O |
|
M
r
|
853.54 |
| Crystal system, space group |
Monoclinic, P21/n
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
7.0419 (1), 19.2513 (3), 12.7175 (2) |
| β (°) |
100.513 (2) |
|
V (Å3) |
1695.12 (5) |
|
Z
|
2 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
4.08 |
| Crystal size (mm) |
0.28 × 0.22 × 0.14 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Single source at home/near, HyPix3000 |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2023 ▸) |
|
T
min, T
max
|
0.523, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
3291, 3291, 2966 |
|
R
int
|
0.037 |
| (sin θ/λ)max (Å−1) |
0.615 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.035, 0.097, 1.06 |
| No. of reflections |
3291 |
| No. of parameters |
269 |
| No. of restraints |
3 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.27, −0.44 |
